Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMLOV18)

• Drug Name: FALCARINDIOL Drug Info
• Synonyms: Falcarindiol; 55297-87-5; 1,9-Heptadecadiene-4,6-diyne-3,8-diol; Heptadeca-1,9-diene-4,6-diyne-3,8-diol; AC1L1FO2; SCHEMBL16680213; CTK1C6414; 225110-25-8; AKOS030230026; AN-40378; 4CN-1774

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 5281148
  TTD Drug ID: DMLOV18

Molecule-Related Drug Atlas

Drug(s) Targeting Dopamine D1 receptor (D1R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenyltoloxamine	DMKAEQW	Allergy	4A80-4A85	Approved	[3]
Pergolide	DM14MAE	Parkinson disease	8A00.0	Approved	[4]
Methylergonovine	DMBEX4O	Spontaneous abortion	JA00.0	Approved	[5]
Fenoldopam	DMFAOKP	Hypertension	BA00-BA04	Approved	[6]
Zicronapine	DMP8ESD	Schizophrenia	6A20	Phase 3	[7]
Ecopipam	DMS9R43	Cocaine addiction	6C45.2	Phase 3	[8]
DAS-431	DMM3BPL	Dementia	6D80-6D86	Phase 2	[9]
Dihydrexidine	DMACPQO	Psychotic disorder	6A20-6A25	Phase 1/2	[10]
BAM-1110	DMPMKUF	Parkinson disease	8A00.0	Discontinued in Phase 2	[11]
CY-208243	DMP8TKA	Pain	MG30-MG3Z	Discontinued in Phase 2	[12]

Drug(s) Targeting Opioid receptor mu (MOP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Buprenorphine	DMPRI8G	Pain	MG30-MG3Z	Approved	[13]
Morphine	DMRMS0L	Chronic pain	MG30	Approved	[14]
Hydromorphone	DMHP21E	Pain	MG30-MG3Z	Approved	[15]
Tapentadol hydrochloride	DMXLSH3	Acute pain	MG31	Approved	[16]
Fentanyl	DM8WAHT	Analgesia	MB40.8	Approved	[17]
Alfentanil	DMVO0UB	Anaesthesia	9A78.6	Approved	[18]
Naloxegol	DML0B41	Opioid-induced constipation	DB32.1	Approved	[19]
Eluxadoline	DMYZ0P1	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[20]
Nalfurafine hcl	DMA9DHW	Uremic pruritus	EC90.10	Approved	[21]
Oxycodone	DMXLKHV	Pain	MG30-MG3Z	Approved	[22]

Drug(s) Targeting Opioid receptor delta (OPRD1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Codeine	DMJX6ZG	Pain	MG30-MG3Z	Approved	[23]
Hydromorphone	DMHP21E	Pain	MG30-MG3Z	Approved	[24]
Loperamide	DMOJZQ9	Diarrhea	ME05.1	Approved	[25]
Eluxadoline	DMYZ0P1	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[20]
Oxycodone	DMXLKHV	Pain	MG30-MG3Z	Approved	[26]
Butorphanol	DM5KYPJ	Pain	MG30-MG3Z	Approved	[23]
Carfentanil	DM7ADGX	N. A.	N. A.	Phase 2	[27]
TPM-1/Morphine	DM4R23C	Pain	MG30-MG3Z	Phase 2	[28]
Met-enkephalin	DMSZFTP	Pain	MG30-MG3Z	Phase 2	[29]
AZD-2327	DM8FZOG	Anxiety disorder	6B00-6B0Z	Phase 2	[30]

Drug(s) Targeting Opioid receptor kappa (OPRK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nalbuphine	DMOSQGU	Pain	MG30-MG3Z	Approved	[4]
Nalfurafine hcl	DMA9DHW	Uremic pruritus	EC90.10	Approved	[21]
Chloroxine	DMFZBMQ	Erythema	ME64.0	Approved	[31]
Dezocine	DMJDB0Y	Pain	MG30-MG3Z	Approved	[32]
Asimadoline	DMND3AB	Diarrhea-predominant irritable bowel syndrome	DD91.01	Phase 3	[33]
Difelikefalin	DMHZBEO	Pruritus	EC90	Phase 3	[34]
PHN-131	DM1SV8I	Pain	MG30-MG3Z	Phase 2/3	[35]
CR-845	DMJYTUQ	Pain	MG30-MG3Z	Phase 2/3	[36]
Carfentanil	DM7ADGX	N. A.	N. A.	Phase 2	[27]
TPM-1/Morphine	DM4R23C	Pain	MG30-MG3Z	Phase 2	[28]

Drug(s) Targeting 5-HT 7 receptor (HTR7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
RP5063	DMKUE8O	Schizophrenia	6A20	Phase 2	[37]
JNJ-18038683	DMV1T59	Major depressive disorder	6A70.3	Phase 2	[38]
AVN-101	DMOGFNI	Cognitive impairment	6D71	Phase 2	[39]
ATI-9242	DM6GKMU	Schizophrenia	6A20	Phase 1	[40]
PMID30124346-Compound-34TABLE4	DM2G3VE	Attention deficit hyperactivity disorder	6A05.Z	Patented	[41]
PMID30124346-Compound-13TABLE4	DMHTJVA	Attention deficit hyperactivity disorder	6A05.Z	Patented	[41]
Carbamide derivative 2	DMW5GI3	N. A.	N. A.	Patented	[42]
4-oxadiazole derivative 1	DMWFHKR	N. A.	N. A.	Patented	[42]
SB-269970	DM8WTGA	Sleep-wake disorder	7A00-7B2Z	Terminated	[43]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[44]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 7 receptor (HTR7)	TTO9X1H	5HT7R_HUMAN	Inhibitor	[1]
Dopamine D1 receptor (D1R)	TTZFYLI	DRD1_HUMAN	Inhibitor	[2]
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Inhibitor	[2]
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[2]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[2]

References

• [1] Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis. J Nat Prod. 2006 Apr;69(4):536-41.
• [2] Novel coumarin glycoside and phenethyl vanillate from Notopterygium forbesii and their binding affinities for opioid and dopamine receptors. Bioorg Med Chem. 2008 Mar 15;16(6):3218-23.
• [3] Dopamine/serotonin receptor ligands. 9. Oxygen-containing midsized heterocyclic ring systems and nonrigidized analogues. A step toward dopamine D5 ... J Med Chem. 2004 Aug 12;47(17):4155-8.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] Reinforcement in an in vitro analog of appetitive classical conditioning of feeding behavior in Aplysia: blockade by a dopamine antagonist. Learn Mem. 2005 May-Jun;12(3):216-20.
• [6] Etiology of iodinated radiocontrast nephrotoxicity and its attenuation by beraprost. Yakugaku Zasshi. 2008 Jul;128(7):1023-9.
• [7] Clinical pipeline report, company report or official report of Lundbeck.
• [8] A D1 receptor antagonist, ecopipam, for treatment of tics in Tourette syndrome.Clin Neuropharmacol.2014 Jan-Feb;37(1):26-30.
• [9] Adrogolide HCl (ABT-431; DAS-431), a prodrug of the dopamine D1 receptor agonist, A-86929: preclinical pharmacology and clinical data. CNS Drug Rev. 2001 Fall;7(3):305-16.
• [10] trans-2,3-dihydroxy-6a,7,8,12b-tetrahydro-6H-chromeno[3,4-c]isoquinoline: synthesis, resolution, and preliminary pharmacological characterization o... J Med Chem. 2006 Nov 16;49(23):6848-57.
• [11] Therapeutic effects of dopamine D1/D2 receptor agonists on detrusor hyperreflexia in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-lesioned parkinso... J Pharmacol Exp Ther. 1998 Jul;286(1):228-33.
• [12] The D-1 dopamine receptor partial agonist, CY 208-243, exhibits antiparkinsonian activity in the MPTP-treated marmoset. Eur J Pharmacol. 1988 Nov 1;156(2):197-206.
• [13] Buprenorphine is a weak partial agonist that inhibits opioid receptor desensitization. J Neurosci. 2009 Jun 3;29(22):7341-8.
• [14] Antianalgesia: stereoselective action of dextro-morphine over levo-morphine on glia in the mouse spinal cord.J Pharmacol Exp Ther.2005 Sep;314(3):1101-8.
• [15] Clinical pipeline report, company report or official report of signaturerx.
• [16] 2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
• [17] The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
• [18] Concentration-effect relationship of intravenous alfentanil and ketamine on peripheral neurosensory thresholds, allodynia and hyperalgesia of neuropathic pain. Pain. 2001 Mar;91(1-2):177-87.
• [19] 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
• [20] Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers.Biochem Pharmacol.2014 Dec 1;92(3):448-56.
• [21] Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology. Bioorg Med Chem Lett. 2010 Jan 1;20(1):121-4.
• [22] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 319).
• [23] Butorphanol: effects of a prototypical agonist-antagonist analgesic on kappa-opioid receptors. J Pharmacol Sci. 2005 Jun;98(2):109-16.
• [24] Identification of opioid ligands possessing mixed micro agonist/delta antagonist activity among pyridomorphinans derived from naloxone, oxymorphone, and hydromorphone [correction of hydropmorphone]. J Med Chem. 2004 Mar 11;47(6):1400-12.
• [25] Loperamide: evidence of interaction with mu and delta opioid receptors. Life Sci. 1983;33 Suppl 1:315-8.
• [26] Oxycodone: a pharmacological and clinical review. Clin Transl Oncol. 2007 May;9(5):298-307.
• [27] Wax PM, Becker CE, Curry SC: Unexpected gas casualties in Moscow: a medical toxicology perspective. Ann Emerg Med. 2003 May;41(5):700-5.
• [28] Molecular Mechanisms of Opioid Receptor-Dependent Signaling and Behavior. Anesthesiology. 2011 December; 115(6): 1363-1381.
• [29] Delta-opioid receptor agonists inhibit neuromuscular transmission in human colon. Eur J Pharmacol. 1994 Sep 1;262(1-2):33-9.
• [30] Preclinical pharmacology of AZD2327: a highly selective agonist of the delta-opioid receptor. J Pharmacol Exp Ther. 2011 Jul;338(1):195-204.
• [31] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
• [32] Pharmacological profiles of opioid ligands at kappa opioid receptors. BMC Pharmacol. 2006 Jan 25;6:3.
• [33] Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
• [34] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [35] Nalbuphine: an autoradiographic opioid receptor binding profile in the central nervous system of an agonist/antagonist analgesic. J Pharmacol Exp Ther. 1988 Jan;244(1):391-402.
• [36] Peptide Kappa Opioid Receptor Ligands: Potential for Drug Development. AAPS J. 2009 June; 11(2): 312-322.
• [37] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [38] Selective pharmacological blockade of the 5-HT7 receptor attenuates light and 8-OH-DPAT induced phase shifts of mouse circadian wheel running activity. Front Behav Neurosci. 2015 Jan 15;8:453.
• [39] AVN-101: A Multi-Target Drug Candidate for the Treatment of CNS Disorders. J Alzheimers Dis. 2016 May 25;53(2):583-620.
• [40] Pharmacological characteristics of ATI-9242, a Novel Atypical Antipsychotic. FASEB J, April, 2010, 24(Meeting Abstract Supplement),773.12.
• [41] 5-HT1A receptor ligands and their therapeutic applications: review of new patents.Expert Opin Ther Pat. 2018 Sep;28(9):679-689.
• [42] Acyltransferase inhibitors: a patent review (2010-present).Expert Opin Ther Pat. 2015 Feb;25(2):145-58.
• [43] [(3)H]-SB-269970--A selective antagonist radioligand for 5-HT(7) receptors. Br J Pharmacol. 2000 May;130(2):409-17.
• [44] Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97.