Details of the Drug

General Information of Drug (ID: DMC1WAJ)

Drug Name
SPI-376
Synonyms
NEO 376; SCHEMBL1253420; CQSQHUPRBBCQRE-UHFFFAOYSA-N; CS-6790; HY-101583; L001673; 1-{2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl}-1,5,6,7-tetrahydroindol 4-one; 1-{2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl}-1,5,6,7-tetrahydroindol-4-one; 1-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1,5,6,7-tetrahydro-indol 4-one
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 357.9
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H24ClN3O
IUPAC Name
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
Canonical SMILES
C1CC2=C(C=CN2CCN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)C1
InChI
InChI=1S/C20H24ClN3O/c21-16-3-1-4-17(15-16)23-12-9-22(10-13-23)11-14-24-8-7-18-19(24)5-2-6-20(18)25/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKey
CQSQHUPRBBCQRE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9906770
TTD ID
D04PVN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Binder [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Schizophrenia
ICD Disease Classification 6A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D4 receptor (D4R) DTT DRD4 1.90E-01 0.19 0.76
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.