Details of the Drug

General Information of Drug (ID: DM4HB7S)

Drug Name
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
Synonyms CHEMBL214684; N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide; MolPort-008-305-779; STK491511; BDBM50192158; ZINC16603986; AKOS003382300; MCULE-7382461624; ST50942897
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) 354.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H26N2O3
IUPAC Name
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
Canonical SMILES
COC1=CC(=CC(=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)OC
InChI
InChI=1S/C21H26N2O3/c1-25-19-12-17(13-20(14-19)26-2)21(24)22-18-8-10-23(11-9-18)15-16-6-4-3-5-7-16/h3-7,12-14,18H,8-11,15H2,1-2H3,(H,22,24)
InChIKey
CBCISEXIJPDIBB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14514271
TTD ID
D05MEW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melanin-concentrating hormone receptor 1 (MCHR1) TTX4RTB MCHR1_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
Melanin-concentrating hormone receptor 1 (MCHR1) DTT MCHR1 6.98E-01 -0.01 -0.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Identification of substituted 4-aminopiperidines and 3-aminopyrrolidines as potent MCH-R1 antagonists for the treatment of obesity. Bioorg Med Chem Lett. 2006 Oct 15;16(20):5445-50.