Details of the Drug

General Information of Drug (ID: DMX8NLB)

Drug Name
US8853215, 3
Synonyms SCHEMBL631179; CHEMBL3644466; DISALCDEOIPUGE-UHFFFAOYSA-N; BDBM135825; US8853215, 3; 1-(2-tert-Butylphenyl)-4-(1H-imidazol-4-ylcarbonyl)piperazine
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 312.4
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H24N4O
IUPAC Name
[4-(2-tert-butylphenyl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone
Canonical SMILES
CC(C)(C)C1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN=CN3
InChI
InChI=1S/C18H24N4O/c1-18(2,3)14-6-4-5-7-16(14)21-8-10-22(11-9-21)17(23)15-12-19-13-20-15/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
InChIKey
DISALCDEOIPUGE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
66751133
ChEBI ID
CHEMBL3644466
TTD ID
D0IV0E
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasma retinol-binding protein (RBP4) TT0C8BY RET4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Derivatives of N-acyl-N-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes. US8853215.