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

General Information of Drug (ID: DM4BP7S)

• Drug Name: R-226161 Drug Info
• Synonyms: R-226161; UNII-0878P6YAG6; CHEMBL318235; 0878P6YAG6; SCHEMBL16583684; BDBM50146518; cis-(+)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole; 3H-(1)Benzopyrano(4,3-C)isoxazole, 3-((4-((2E)-3-(4-fluorophenyl)-2-methyl-2-propen-1-yl)-1-piperazinyl)methyl)-3a,4-dihydro-7,8-dimethoxy-, (cis)-(+)-; (3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]-piperazin-1-ylmethyl}-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole

Indication

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

• Cross-matching ID:
  PubChem CID: 16655023
  CAS Number: CAS 452314-01-1
  TTD Drug ID: DM4BP7S

Molecule-Related Drug Atlas

Drug(s) Targeting Adrenergic receptor alpha-2C (ADRA2C)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
MOXONIDINE	DMGFB0E	Alcohol dependence	6C40.2	Approved	[2]
Dihydroergocristine	DM5SQ1G	Alcohol dependence	6C40.2	Approved	[3]
Brimonidine	DMQLT4N	Ocular hypertension	9C61.01	Approved	[4]
Amosulalol	DML8QSZ	Hypertension	BA00-BA04	Approved	[5]
Amezinium	DM6I2WQ	Hypotension	BA20-BA21	Approved	[6]
Propylhexedrine	DMTBW2O	Obesity	5B81	Approved	[7]
Tetrahydrozoline	DMT57WC	Ocular disease	1F00.1Z	Approved	[8]
Rilmenidine	DM13PQW	Hypertension	BA00-BA04	Approved	[9]
Xylometazoline	DMKV32D	Allergic rhinitis	CA08.0	Phase 4	[10]
TNX-102	DMO1234	Fibromyalgia	MG30.01	Phase 3	[11]

Drug(s) Targeting Dopamine D3 receptor (D3R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cariprazine	DMJYDVK	Bipolar disorder	6A60	Approved	[12]
Pramipexole	DMNMW9R	Parkinson disease	8A00.0	Approved	[13]
Ropinirole	DMA6S1D	Parkinson disease	8A00.0	Approved	[13]
CM-2395	DMASPWR	Schizophrenia	6A20	Phase 3	[14]
P2B-001	DM9PVHX	Parkinson disease	8A00.0	Phase 3	[15]
RP5063	DMKUE8O	Schizophrenia	6A20	Phase 2	[16]
ONC201	DMM5SCF	Endometrial cancer	2C76	Phase 2	[17]
TAK-906	DMBQD9H	Diabetic gastroparesis	DA41.00	Phase 2	[18]
GSK598809	DMGU05N	Drug abuse	6C4G.1Z	Phase 2	[19]
GSK618334	DMJPXZ4	Drug abuse	6C4G.1Z	Phase 1	[19]

Drug(s) Targeting Adrenergic receptor alpha-2A (ADRA2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lofexidine	DM1WXA6	Heroin and opiate withdrawal	6C43	Approved	[20]
MOXONIDINE	DMGFB0E	Alcohol dependence	6C40.2	Approved	[2]
Connexyn	DMF29Q5	Attention deficit hyperactivity disorder	6A05.Z	Approved	[21]
Guanfacine	DMPN5IH	Attention deficit hyperactivity disorder	6A05.Z	Phase 4	[22]
A295	DM55GO2	Aggressive cancer	2A00-2F9Z	IND submitted	[23]
MEDETOMIDINE	DMX9Y7V	Pain	MG30-MG3Z	Phase 2	[24]
DSP-1200	DM4WSHG	Depression	6A70-6A7Z	Phase 1	[16]
MAZAPERTINE	DMRHYAU	N. A.	N. A.	Discontinued in Phase 2	[25]
NMI-870	DMU596F	Sexual dysfunction	HA00-HA01	Discontinued in Phase 2	[26]
SNAP-5089	DMROJEN	Heart arrhythmia	BC65	Terminated	[27]

Drug(s) Targeting Serotonin transporter (SERT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[28]
Amitriptyline	DMK7F9S	Depression	6A70-6A7Z	Approved	[29]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[13]
Vortioxetine	DM6F1PU	Major depressive disorder	6A70.3	Approved	[12]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[30]
Cocaine	DMSOX7I	Anaesthesia	9A78.6	Approved	[31]
Bupropion	DM5PCS7	Depression	6A70-6A7Z	Approved	[32]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[13]
Nortriptyline	DM4KDYJ	Depression	6A70-6A7Z	Approved	[13]
Trazodone	DMK1GBJ	Depression	6A70-6A7Z	Approved	[13]

Drug(s) Targeting Adrenergic receptor alpha-2B (ADRA2B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
MOXONIDINE	DMGFB0E	Alcohol dependence	6C40.2	Approved	[2]
MEDETOMIDINE	DMX9Y7V	Pain	MG30-MG3Z	Phase 2	[24]
AGN-199981	DMP5Y1A	Neuropathic pain	8E43.0	Phase 2	[33]
INDORAMIN	DMNSJFD	Hypertension	BA00-BA04	Withdrawn from market	[34]
MAZAPERTINE	DMRHYAU	N. A.	N. A.	Discontinued in Phase 2	[25]
SNAP-5089	DMROJEN	Heart arrhythmia	BC65	Terminated	[27]
A-80426	DMBC3DG	N. A.	N. A.	Terminated	[35]
WB-4101	DMQU8B1	N. A.	N. A.	Terminated	[36]
SK&F-104078	DMRADBU	N. A.	N. A.	Terminated	[34]
(+/-)-nantenine	DM0L3GE	Discovery agent	N.A.	Investigative	[37]

Drug(s) Targeting Substance-P receptor (TACR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[38]
Selegiline	DM6034S	Major depressive disorder	6A70.3	Approved	[19]
Rolapitant	DM8XP26	Chemotherapy-induced nausea	MD90	Approved	[39]
Netupitant	DMEKAYI	Chemotherapy-induced nausea	MD90	Phase 3	[39]
Serlopitant	DM5VH6U	Prurigo nodularis	EC91.0	Phase 3	[40]
LY-686017	DM7WORZ	Atopic dermatitis	EA80	Phase 3	[41]
Elinzanetant	DMC6EFI	Hot flushes	GA30	Phase 3	[42]
CP-122721	DMSWLM5	Major depressive disorder	6A70.3	Phase 2	[43]
FR139317	DMEL5SV	Hypertension	BA00-BA04	Phase 2	[19]
VOFOPITANT HYDROCHLORIDE	DMQMYP5	Vomiting	MD90	Phase 2	[44]

Drug(s) Targeting Dopamine transporter (DAT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cocaine	DMSOX7I	Anaesthesia	9A78.6	Approved	[31]
Dasotraline	DMLDQFV	Attention deficit hyperactivity disorder	6A05.Z	Approved	[45]
Methylphenidate	DM7SJD6	Attention deficit hyperactivity disorder	6A05.Z	Approved	[46]
Modafinil	DMYILBE	Malignant glioma	2A00.0	Approved	[13]
Phenmetrazine	DMXYTN9	Obesity	5B81	Approved	[47]
Ioflupane i-123	DMNARJT	Parkinson disease	8A00.0	Approved	[48]
DEXMETHYLPHENIDATE HYDROCHLORIDE	DM8WBAH	Attention deficit hyperactivity disorder	6A05.Z	Approved	[49]
Altropane	DMO9WDS	Attention deficit hyperactivity disorder	6A05.Z	Approved	[50]
Amitifadine	DMS1X67	Obesity	5B81	Phase 3	[51]
NAV5001	DMRSI1M	Dementia	6D80-6D86	Phase 3	[50]

Drug(s) Targeting Histamine H1 receptor (H1R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ergotidine	DM78IME	Osteoarthritis	FA00-FA05	Approved	[52]
Loratadine	DMF3AN7	Allergy	4A80-4A85	Approved	[53]
Azelastine	DMXTMBJ	Allergic conjunctivitis	9A60.02	Approved	[54]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[55]
Cinnarizine	DM7U5QJ	Meniere disease	AB31.0	Approved	[56]
Diphenhydramine	DMKQTBA	Hyperemesis gravidarum		Approved	[54]
Doxepin	DMPI98T	Anxiety		Approved	[57]
Chlorpheniramine	DM5URA2	Allergic rhinitis	CA08.0	Approved	[54]
Epinastine	DMX0K3Q	Allergic conjunctivitis	9A60.02	Approved	[58]
Desloratadine	DM56YN7	Allergic rhinitis	CA08.0	Approved	[59]

Drug(s) Targeting Adrenergic receptor alpha-1A (ADRA1A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
SILODOSIN	DMJSBT6	Benign prostatic hyperplasia	GA90	Approved	[60]
NAFTOPIDIL	DMQ8R4E	Hypertension	BA00-BA04	Approved	[60]
Tamsulosin	DM5QF9V	Benign prostatic hyperplasia	GA90	Approved	[13]
Xatral	DMLHOA0	Benign prostatic hyperplasia	GA90	Approved	[61]
Dutasteride + tamsulosin	DM6P8HU	Benign prostatic hyperplasia	GA90	Phase 3	[19]
Besipirdine	DMLVNTA	Cognitive impairment	6D71	Phase 3	[62]
MEDETOMIDINE	DMX9Y7V	Pain	MG30-MG3Z	Phase 2	[24]
PMID30124346-Compound-LDT8	DM5MUNG	Benign prostatic hyperplasia	GA90	Patented	[63]
PMID30124346-Compound-LDT66	DMJMTNL	Benign prostatic hyperplasia	GA90	Patented	[63]
TIOSPIRONE	DME5QDP	N. A.	N. A.	Discontinued in Phase 3	[64]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Inhibitor	[1]
Dopamine D3 receptor (D3R)	TT4C8EA	DRD3_HUMAN	Inhibitor	[1]
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[1]
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Inhibitor	[1]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[1]
Substance-P receptor (TACR1)	TTZPO1L	NK1R_HUMAN	Inhibitor	[1]

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