Details of the Drug

General Information of Drug (ID: DMPGM0V)

Drug Name
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine
Synonyms
BTCP; 112726-66-6; 1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine; 1-Btcp; GK 13; 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine; 1-(1-Benzo(b)thien-2-ylcyclohexyl)piperidine; N-(1-(2-Benzo(b)thiophenyl)cyclohexyl)piperidine; GK-13; UNII-Q1WR6UP7MW; Q1WR6UP7MW; CHEMBL279556; CHEBI:64145; 1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine; Piperidine, 1-(1-benzo(b)thien-2-ylcyclohexyl)-; 1-(1-benzo[b]thien-2-ylcyclohexyl)Piperidine; Benocyclidine; C19H25NS; Tocris-0702; Lopac-B-138; Biomol-NT_000007; AC1L3X4G; Lopac0_000226
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): 1 Molecular Weight (mw) 299.5
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H25NS
IUPAC Name
1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine
Canonical SMILES
C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4
InChI
InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
InChIKey
RGSVXQJPSWZXOP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
123692
ChEBI ID
CHEBI:64145
CAS Number
112726-66-6
TTD ID
D07CQD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine transporter (DAT) TTVBI8W SC6A3_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
Dopamine transporter (DAT) DTT SLC6A3 1.08E-03 -3.08 -1.99
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem. 2008 Jul 24;51(14):4150-69.