Details of the Drug

General Information of Drug (ID: DMB6SP8)

Drug Name
3-(3-aminocyclopentyl)-1H-indole-5-carbonitrile
Synonyms CHEMBL1276297; 3-(3-aminocyclopentyl)-1H-indole-5-carbonitrile; SCHEMBL6087331
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 225.29
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H15N3
IUPAC Name
3-(3-aminocyclopentyl)-1H-indole-5-carbonitrile
Canonical SMILES
C1CC(CC1C2=CNC3=C2C=C(C=C3)C#N)N
InChI
InChI=1S/C14H15N3/c15-7-9-1-4-14-12(5-9)13(8-17-14)10-2-3-11(16)6-10/h1,4-5,8,10-11,17H,2-3,6,16H2
InChIKey
MBZJCLUPDBZVMZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
22139473
TTD ID
D05REQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Conformationally restricted homotryptamines. Part 7: 3-cis-(3-aminocyclopentyl)indoles as potent selective serotonin reuptake inhibitors. J Med Chem. 2010 Nov 11;53(21):7564-72.