Details of the Drug

General Information of Drug (ID: DMAWXJT)

Drug Name

ORG-13011

Synonyms

FIBOFLAPON; 936350-00-4; UNII-Y1NA96IX3T; Y1NA96IX3T; CHEMBL1922660; Fiboflapon [USAN:INN]; AM803; Fiboflapon (USAN); AM-803; AM 803; SCHEMBL11820; DTXSID20239496; DFQGDHBGRSTTHX-UHFFFAOYSA-N; GSK2190915B; ZINC68247071; BDBM50359080; AKOS030527019; SB16524; CS-3604; Fiboflapon; NCGC00485966-01; HY-15874; 1H-Indole-2-propanoic acid, 3-((1,1-dimethylethyl)thio)-1-((4-(6-ethoxy-3-pyridinyl)phenyl)methyl)-alpha,alpha-Dimethyl-5-((5-methyl-2-pyridinyl)methoxy)-; D10069

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Phase 2	[1]
Psychotic disorder	6A20-6A25	Phase 2	[2]
Major depressive disorder	6A70.3	Application submitted	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

370.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C18H25F3N4O
IUPAC Name: 1-[4-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butyl]pyrrolidin-2-one
Canonical SMILES: C1CC(=O)N(C1)CCCCN2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C18H25F3N4O/c19-18(20,21)15-5-6-22-16(14-15)24-12-10-23(11-13-24)7-1-2-8-25-9-3-4-17(25)26/h5-6,14H,1-4,7-13H2
InChIKey: YKJJCYZZWWSBEW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9907401
CAS Number: 142494-12-0
TTD ID: D00QOF

Repurposed Drugs (RPD)

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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	Antagonist	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Anxiety disorder

ICD Disease Classification

6B00-6B0Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	5.70E-01	-0.13	-0.53

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	ClinicalTrials.gov (NCT00000189) Gepirone vs Placebo in Treatment of Cocaine Dependence - 3. U.S. National Institutes of Health.
3	Antagonism of the 5-HT1A receptor stimulus in a conditioned taste aversion procedure. Eur Neuropsychopharmacol. 1999 Jun;9(4):345-9.