Details of the Drug

General Information of Drug (ID: DM1XBHS)

• Drug Name: Pentazocine
• Synonyms: Fortalgesic; Fortalin; Fortral; Lexir; Liticon; Pentagin; Pentazocaine; Pentazocin; Pentazocina; Pentazocinum; Sosegon; Soseton; Sosigon; Talacen; Talwan; Pentazocina [DCIT]; NIH 7958; WIN 20228; Algopent (free base); Fortal (TN); Fortral (TN); Fortwin (TN); KF-1820; L-pentazocine; Pentazocinum [INN-Latin]; Talacen (TN); Talwin (TN); Talwin NX (TN); Talwin PX (TN); II-C-2; Pentazocine (JP15/USP/INN); Pentazocine [USAN:INN:BAN:JAN]; Pentazocine, Pentazocin, Sosegon, WIN 20228; (2R*,6R*,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol; (2R,6R,11R)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol; (2alpha,6alpha,11R*)-(1)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol; 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol; 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol; 2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan; 2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7-benzomorphan; 2-(3,3-Dimethylallyl)cyclazocine; 2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan; 3-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Approved	[1]

• Therapeutic Class: Anesthetics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 285.4
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• ADMET Property:
  Absorption: The drug is well absorbed from the gastrointestinal tract []
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability [2]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 23 mL/min/kg [3]
  Elimination: 15% of drug is excreted from urine in the unchanged form [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 2 - 3 hours [3]
  Metabolism: The drug is metabolized via the hepatic []
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 1.75172 micromolar/kg/day [4]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.39% [3]
  Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 3.4 L/kg [3]
  Water Solubility: The ability of drug to dissolve in water is measured as 0.0449 mg/mL [2]
• Chemical Identifiers:
  Formula: C19H27NO
  IUPAC Name: (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
  Canonical SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O
  InChI: InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
  InChIKey: VOKSWYLNZZRQPF-GDIGMMSISA-N
• Cross-matching ID:
  PubChem CID: 441278
  ChEBI ID: CHEBI:7982
  CAS Number: 359-83-1
  DrugBank ID: DB00652
  TTD ID: D0W6DG
  VARIDT ID: DR01286

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor (OPR)	TTN4QDT	NOUNIPROTAC	Antagonist	[5]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[6]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Pentazocine

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Oxymorphone	DM65AGJ	Major	Additive hypotensive effects by the combination of Pentazocine and Oxymorphone.	Pain [MG30-MG3Z]	[7]
Levorphanol	DMGS80V	Major	Additive CNS depression effects by the combination of Pentazocine and Levorphanol.	Pain [MG30-MG3Z]	[7]
Dezocine	DMJDB0Y	Major	Additive CNS depression effects by the combination of Pentazocine and Dezocine.	Pain [MG30-MG3Z]	[7]
Flavoxate	DMKV4NL	Moderate	Additive antimotility effects by the combination of Pentazocine and Flavoxate.	Pain [MG30-MG3Z]	[8]
Buprenorphine	DMPRI8G	Major	Additive CNS depression effects by the combination of Pentazocine and Buprenorphine.	Pain [MG30-MG3Z]	[7]
Hydrocodone	DMQ2JO5	Major	Additive hypotensive effects by the combination of Pentazocine and Hydrocodone.	Pain [MG30-MG3Z]	[7]

Coadministration of a Drug Treating the Disease Different from Pentazocine (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Scopolamine	DMOM8AL	Moderate	Additive CNS depression effects by the combination of Pentazocine and Scopolamine.	Addictive disorder [6C50-6C5Z]	[8]
Methylphenobarbital	DMDSWAG	Major	Additive CNS depression effects by the combination of Pentazocine and Methylphenobarbital.	Anxiety disorder [6B00-6B0Z]	[9]
Halazepam	DMPFWO6	Major	Additive CNS depression effects by the combination of Pentazocine and Halazepam.	Anxiety disorder [6B00-6B0Z]	[10]
Chlormezanone	DMTWUXR	Major	Additive CNS depression effects by the combination of Pentazocine and Chlormezanone.	Anxiety disorder [6B00-6B0Z]	[10]
Oxazepam	DMXNZM4	Major	Additive CNS depression effects by the combination of Pentazocine and Oxazepam.	Anxiety disorder [6B00-6B0Z]	[10]
Desipramine	DMT2FDC	Moderate	Additive serotonergic effects by the combination of Pentazocine and Desipramine.	Attention deficit hyperactivity disorder [6A05]	[11]
Cariprazine	DMJYDVK	Major	Additive CNS depression effects by the combination of Pentazocine and Cariprazine.	Bipolar disorder [6A60]	[10]
Loperamide	DMOJZQ9	Moderate	Additive CNS depression effects by the combination of Pentazocine and Loperamide.	Bowel habit change [ME05]	[12]
Dihydrocodeine	DMB0FWL	Major	Additive hypotensive effects by the combination of Pentazocine and Dihydrocodeine.	Chronic pain [MG30]	[7]
Levomilnacipran	DMV26S8	Major	Additive serotonergic effects by the combination of Pentazocine and Levomilnacipran.	Chronic pain [MG30]	[13]
Olopatadine	DMKMWQG	Moderate	Additive CNS depression effects by the combination of Pentazocine and Olopatadine.	Conjunctiva disorder [9A60]	[14]
Propofol	DMB4OLE	Moderate	Additive CNS depression effects by the combination of Pentazocine and Propofol.	Corneal disease [9A76-9A78]	[15]
Ethanol	DMDRQZU	Moderate	Additive CNS depression effects by the combination of Pentazocine and Ethanol.	Cystitis [GC00]	[16]
Sertraline	DM0FB1J	Major	Additive serotonergic effects by the combination of Pentazocine and Sertraline.	Depression [6A70-6A7Z]	[13]
Trimipramine	DM1SC8M	Moderate	Additive serotonergic effects by the combination of Pentazocine and Trimipramine.	Depression [6A70-6A7Z]	[11]
Vilazodone	DM4LECQ	Major	Additive serotonergic effects by the combination of Pentazocine and Vilazodone.	Depression [6A70-6A7Z]	[13]
Nefazodone	DM4ZS8M	Major	Additive serotonergic effects by the combination of Pentazocine and Nefazodone.	Depression [6A70-6A7Z]	[13]
Paroxetine	DM5PVQE	Major	Additive serotonergic effects by the combination of Pentazocine and Paroxetine.	Depression [6A70-6A7Z]	[13]
Selegiline	DM6034S	Major	Additive serotonergic effects by the combination of Pentazocine and Selegiline.	Depression [6A70-6A7Z]	[17]
Vortioxetine	DM6F1PU	Major	Additive serotonergic effects by the combination of Pentazocine and Vortioxetine.	Depression [6A70-6A7Z]	[13]
Milnacipran	DMBFE74	Major	Additive serotonergic effects by the combination of Pentazocine and Milnacipran.	Depression [6A70-6A7Z]	[13]
Escitalopram	DMFK9HG	Major	Additive serotonergic effects by the combination of Pentazocine and Escitalopram.	Depression [6A70-6A7Z]	[13]
Desvenlafaxine	DMHD4PE	Major	Additive serotonergic effects by the combination of Pentazocine and Desvenlafaxine.	Depression [6A70-6A7Z]	[13]
OPC-34712	DMHG57U	Major	Additive CNS depression effects by the combination of Pentazocine and OPC-34712.	Depression [6A70-6A7Z]	[10]
Clomipramine	DMINRKW	Moderate	Additive serotonergic effects by the combination of Pentazocine and Clomipramine.	Depression [6A70-6A7Z]	[11]
Trazodone	DMK1GBJ	Moderate	Additive serotonergic effects by the combination of Pentazocine and Trazodone.	Depression [6A70-6A7Z]	[11]
Doxepin	DMPI98T	Moderate	Additive serotonergic effects by the combination of Pentazocine and Doxepin.	Depression [6A70-6A7Z]	[11]
Maprotiline	DMPWB7T	Moderate	Additive serotonergic effects by the combination of Pentazocine and Maprotiline.	Depression [6A70-6A7Z]	[11]
Esketamine	DMVU687	Moderate	Additive CNS depression effects by the combination of Pentazocine and Esketamine.	Depression [6A70-6A7Z]	[17]
Mepenzolate	DM8YU2F	Moderate	Additive CNS depression effects by the combination of Pentazocine and Mepenzolate.	Digestive system disease [DE2Z]	[8]
Oxybutynine	DMJPBAX	Moderate	Additive CNS depression effects by the combination of Pentazocine and Oxybutynine.	Discovery agent [N.A.]	[8]
Heroin diacetylmorphine	DMDBWHY	Major	Additive CNS depression effects by the combination of Pentazocine and Heroin diacetylmorphine.	Dissociative neurological symptom disorder [6B60]	[9]
Diazepam	DM08E9O	Major	Additive CNS depression effects by the combination of Pentazocine and Diazepam.	Epilepsy/seizure [8A61-8A6Z]	[10]
Primidone	DM0WX6I	Major	Additive CNS depression effects by the combination of Pentazocine and Primidone.	Epilepsy/seizure [8A61-8A6Z]	[10]
Gabapentin	DM6T924	Major	Additive CNS depression effects by the combination of Pentazocine and Gabapentin.	Epilepsy/seizure [8A61-8A6Z]	[18]
Clonazepam	DMTO13J	Major	Additive CNS depression effects by the combination of Pentazocine and Clonazepam.	Epilepsy/seizure [8A61-8A6Z]	[10]
Phenobarbital	DMXZOCG	Major	Additive CNS depression effects by the combination of Pentazocine and Phenobarbital.	Epilepsy/seizure [8A61-8A6Z]	[10]
Dantrolene	DM1D8XY	Major	Additive CNS depression effects by the combination of Pentazocine and Dantrolene.	Fever [MG26]	[10]
Solifenacin	DMG592Q	Moderate	Additive CNS depression effects by the combination of Pentazocine and Solifenacin.	Functional bladder disorder [GC50]	[8]
Tolterodine	DMSHPW8	Moderate	Additive CNS depression effects by the combination of Pentazocine and Tolterodine.	Functional bladder disorder [GC50]	[8]
Propantheline	DM2EN6G	Moderate	Additive CNS depression effects by the combination of Pentazocine and Propantheline.	Gastric ulcer [DA60]	[8]
Belladonna	DM2RBWK	Moderate	Additive antimotility effects by the combination of Pentazocine and Belladonna.	Infectious gastroenteritis/colitis [1A40]	[8]
Suvorexant	DM0E6S3	Major	Additive CNS depression effects by the combination of Pentazocine and Suvorexant.	Insomnia [7A00-7A0Z]	[10]
Amobarbital	DM0GQ8N	Major	Additive CNS depression effects by the combination of Pentazocine and Amobarbital.	Insomnia [7A00-7A0Z]	[10]
Ramelteon	DM7IW9J	Major	Additive CNS depression effects by the combination of Pentazocine and Ramelteon.	Insomnia [7A00-7A0Z]	[10]
Flurazepam	DMAL4G0	Major	Additive CNS depression effects by the combination of Pentazocine and Flurazepam.	Insomnia [7A00-7A0Z]	[10]
Triazolam	DMETYK5	Major	Additive CNS depression effects by the combination of Pentazocine and Triazolam.	Insomnia [7A00-7A0Z]	[10]
Zaleplon	DMGFWSM	Major	Additive CNS depression effects by the combination of Pentazocine and Zaleplon.	Insomnia [7A00-7A0Z]	[10]
Propiomazine	DMKY8V1	Major	Additive CNS depression effects by the combination of Pentazocine and Propiomazine.	Insomnia [7A00-7A0Z]	[10]
Tasimelteon	DMLOQ1V	Major	Additive CNS depression effects by the combination of Pentazocine and Tasimelteon.	Insomnia [7A00-7A0Z]	[10]
Paraldehyde	DMOC1BX	Major	Additive CNS depression effects by the combination of Pentazocine and Paraldehyde.	Insomnia [7A00-7A0Z]	[10]
ITI-007	DMUQ1DO	Major	Additive CNS depression effects by the combination of Pentazocine and ITI-007.	Insomnia [7A00-7A0Z]	[10]
Quazepam	DMY4D87	Major	Additive CNS depression effects by the combination of Pentazocine and Quazepam.	Insomnia [7A00-7A0Z]	[10]
Estazolam	DMZGXUM	Major	Additive CNS depression effects by the combination of Pentazocine and Estazolam.	Insomnia [7A00-7A0Z]	[10]
Polyethylene glycol	DM4I1JP	Moderate	Increased risk of lowers seizure threshold by the combination of Pentazocine and Polyethylene glycol.	Irritable bowel syndrome [DD91]	[19]
Clidinium	DMUMQZ0	Moderate	Additive antimotility effects by the combination of Pentazocine and Clidinium.	Irritable bowel syndrome [DD91]	[8]
Dicyclomine	DMZSDGX	Moderate	Additive antimotility effects by the combination of Pentazocine and Dicyclomine.	Irritable bowel syndrome [DD91]	[8]
Remimazolam	DMLVSYX	Major	Additive CNS depression effects by the combination of Pentazocine and Remimazolam.	Labour/delivery anaesthesia complication [JB0C]	[10]
Allopregnanolone	DMNLHAC	Moderate	Additive CNS depression effects by the combination of Pentazocine and Allopregnanolone.	Mental/behavioural/neurodevelopmental disorder [6E20-6E8Z]	[20]
Flibanserin	DM70DTN	Moderate	Additive CNS depression effects by the combination of Pentazocine and Flibanserin.	Mood disorder [6A60-6E23]	[21]
Thalidomide	DM70BU5	Moderate	Additive CNS depression effects by the combination of Pentazocine and Thalidomide.	Multiple myeloma [2A83]	[22]
Prasugrel	DM7MT6E	Moderate	Altered absorption of Pentazocine due to GI dynamics variation caused by Prasugrel.	Myocardial infarction [BA41-BA43]	[23]
Metoclopramide	DMFA5MY	Moderate	Antagonize the effect of Pentazocine when combined with Metoclopramide.	Nausea/vomiting [MD90]	[24]
Granisetron	DMIUW25	Major	Additive serotonergic effects by the combination of Pentazocine and Granisetron.	Nausea/vomiting [MD90]	[25]
Dolasetron	DMMG26Z	Major	Additive serotonergic effects by the combination of Pentazocine and Dolasetron.	Nausea/vomiting [MD90]	[25]
Ondansetron	DMOTQ1I	Major	Additive serotonergic effects by the combination of Pentazocine and Ondansetron.	Nausea/vomiting [MD90]	[25]
Bupropion	DM5PCS7	Major	Increased risk of lowers seizure threshold by the combination of Pentazocine and Bupropion.	Nicotine use disorder [6C4A]	[26]
Sibutramine	DMFJTDI	Major	Additive serotonergic effects by the combination of Pentazocine and Sibutramine.	Obesity [5B80-5B81]	[27]
Lorcaserin	DMG6OYJ	Major	Additive serotonergic effects by the combination of Pentazocine and Lorcaserin.	Obesity [5B80-5B81]	[28]
Dexfenfluramine	DMJ7YDS	Major	Additive serotonergic effects by the combination of Pentazocine and Dexfenfluramine.	Obesity [5B80-5B81]	[13]
Levomethadyl Acetate	DM06HG5	Major	Additive CNS depression effects by the combination of Pentazocine and Levomethadyl Acetate.	Opioid use disorder [6C43]	[7]
Apraclonidine	DMO4PVE	Moderate	Additive CNS depression effects by the combination of Pentazocine and Apraclonidine.	Optic nerve disorder [9C40]	[29]
Biperiden	DME78OA	Moderate	Additive CNS depression effects by the combination of Pentazocine and Biperiden.	Parkinsonism [8A00]	[30]
Pimavanserin	DMR7IVC	Major	Additive CNS depression effects by the combination of Pentazocine and Pimavanserin.	Parkinsonism [8A00]	[10]
Orphenadrine	DMW542E	Major	Additive CNS depression effects by the combination of Pentazocine and Orphenadrine.	Parkinsonism [8A00]	[10]
Methylscopolamine	DM5VWOB	Moderate	Additive CNS depression effects by the combination of Pentazocine and Methylscopolamine.	Peptic ulcer [DA61]	[8]
Quetiapine	DM1N62C	Major	Additive CNS depression effects by the combination of Pentazocine and Quetiapine.	Schizophrenia [6A20]	[31]
Mesoridazine	DM2ZGAN	Major	Additive CNS depression effects by the combination of Pentazocine and Mesoridazine.	Schizophrenia [6A20]	[31]
Thioridazine	DM35M8J	Major	Additive CNS depression effects by the combination of Pentazocine and Thioridazine.	Schizophrenia [6A20]	[10]
Aripiprazole	DM3NUMH	Major	Additive CNS depression effects by the combination of Pentazocine and Aripiprazole.	Schizophrenia [6A20]	[10]
Iloperidone	DM6AUFY	Major	Additive CNS depression effects by the combination of Pentazocine and Iloperidone.	Schizophrenia [6A20]	[10]
Paliperidone	DM7NPJS	Major	Additive CNS depression effects by the combination of Pentazocine and Paliperidone.	Schizophrenia [6A20]	[10]
Perphenazine	DMA4MRX	Major	Additive CNS depression effects by the combination of Pentazocine and Perphenazine.	Schizophrenia [6A20]	[10]
Molindone	DMAH70G	Major	Additive CNS depression effects by the combination of Pentazocine and Molindone.	Schizophrenia [6A20]	[10]
Thiothixene	DMDINC4	Major	Additive CNS depression effects by the combination of Pentazocine and Thiothixene.	Schizophrenia [6A20]	[31]
Trifluoperazine	DMKBYWI	Major	Additive CNS depression effects by the combination of Pentazocine and Trifluoperazine.	Schizophrenia [6A20]	[10]
Risperidone	DMN6DXL	Major	Additive CNS depression effects by the combination of Pentazocine and Risperidone.	Schizophrenia [6A20]	[10]
Asenapine	DMSQZE2	Major	Additive CNS depression effects by the combination of Pentazocine and Asenapine.	Schizophrenia [6A20]	[10]
Pimozide	DMW83TP	Major	Additive CNS depression effects by the combination of Pentazocine and Pimozide.	Schizophrenia [6A20]	[10]
Fentanyl	DM8WAHT	Major	Additive CNS depression effects by the combination of Pentazocine and Fentanyl.	Sensation disturbance [MB40]	[7]
Brilinta	DMBR01X	Moderate	Altered absorption of Pentazocine due to GI dynamics variation caused by Brilinta.	Thrombosis [DB61-GB90]	[23]
Clopidogrel	DMOL54H	Moderate	Altered absorption of Pentazocine due to GI dynamics variation caused by Clopidogrel.	Thrombosis [DB61-GB90]	[23]
Tizanidine	DMR2IQ4	Major	Additive CNS depression effects by the combination of Pentazocine and Tizanidine.	Tonus and reflex abnormality [MB47]	[10]

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