Details of the Drug

General Information of Drug (ID: DM9X1DZ)

Drug Name

BIMG80

Indication

Disease Entry	ICD 11	Status	REF
Psychotic disorder	6A20-6A25	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

406.5

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C25H27FN2O2
IUPAC Name: 1-(4-fluorophenyl)-4-[5-[(5-methoxy-1H-indol-3-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
Canonical SMILES: COC1=CC2=C(C=C1)NC=C2CC3=CCCN(C3)CCCC(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C25H27FN2O2/c1-30-22-10-11-24-23(15-22)20(16-27-24)14-18-4-2-12-28(17-18)13-3-5-25(29)19-6-8-21(26)9-7-19/h4,6-11,15-16,27H,2-3,5,12-14,17H2,1H3
InChIKey: CIPFPNCFILKTBF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D1 receptor (D1R)	TTZFYLI	DRD1_HUMAN	Modulator	[2]
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Modulator	[2]
Dopamine D4 receptor (D4R)	TTE0A2F	DRD4_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Psychotic disorder

ICD Disease Classification

6A20-6A25

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D1 receptor (D1R)	DTT	DRD1	8.99E-01	-0.06	-0.3
Dopamine D2 receptor (D2R)	DTT	DRD2	2.20E-03	-0.51	-1.35
Dopamine D4 receptor (D4R)	DTT	DRD4	1.90E-01	0.19	0.76

Molecular Expression Atlas (MEA)

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006596)
2	BIMG 80, a novel potential antipsychotic drug: evidence for multireceptor actions and preferential release of dopamine in prefrontal cortex. J Neurochem. 1997 Jul;69(1):182-90.