Details of the Drug

General Information of Drug (ID: DMB1WF3)

Drug Name

OPC-14523

Synonyms

OPC-14523; UNII-1981OTB4DS; 1981OTB4DS; CHEMBL294144; 145969-30-8; OPC-14523 free base; SCHEMBL5022801; ZINC598353; BDBM50005656; 1-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-methoxy-3,4-dihydro-2-quinolinone; L001554; 2(1H)-Quinolinone, 1-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-3,4-dihydro-5-methoxy-

Indication

Disease Entry	ICD 11	Status	REF
Bulimia nervosa	6B81	Phase 2	[1]
Mood disorder	6A60-6E23	Phase 2	[1]
Female sexual arousal dysfunction	HA01.1	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

413.9

Topological Polar Surface Area (xlogp)

3.8

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H28ClN3O2
IUPAC Name: 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one
Canonical SMILES: COC1=CC=CC2=C1CCC(=O)N2CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C23H28ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-8,17H,4,9-16H2,1H3
InChIKey: TZZGTNZBLPCBIS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9892540
CAS Number: 145969-30-8
DrugBank ID: DB05422
TTD ID: D0R8GR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Modulator	[2]
Opioid receptor sigma 1 (OPRS1)	TT5TPI6	SGMR1_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Bulimia nervosa

ICD Disease Classification

6B81

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

Molecular Expression Atlas (MEA)

MEA Detail

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References

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13	Interactions between corticotropin-releasing hormone and serotonin: implications for the aetiology and treatment of anxiety disorders. Handb Exp Pharmacol. 2005;(169):181-204.
14	Effects of brexpiprazole, a novel serotonin-dopamine activity modulator, on phencyclidine-induced cognitive deficits in mice: a role for serotonin 5-HT1A receptors.Pharmacol Biochem Behav.2014 Sep;124:245-9.
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17	Synthesis of new derivatives of 8-OH-DPAT: Influence of substitution on the aromatic ring on the pharmacological profile, Bioorg. Med. Chem. Lett. 3(10):2035-2038 (1993).
18	Urapidil. A reappraisal of its use in the management of hypertension. Drugs. 1998 Nov;56(5):929-55.
19	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
20	Clinical pipeline report, company report or official report of Jazz Pharmaceuticals.