Details of the Drug

General Information of Drug (ID: DMJD1S6)

Drug Name
A1-10438
Synonyms 3-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-oxopropanoic acid; SCHEMBL631591; CHEMBL3644468; BJJSTQNQWBMPNN-UHFFFAOYSA-N; BDBM135827; US8853215, 9; A1-10438
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 304.4
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H24N2O3
IUPAC Name
3-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-oxopropanoic acid
Canonical SMILES
CC(C)(C)C1=CC=CC=C1N2CCN(CC2)C(=O)CC(=O)O
InChI
InChI=1S/C17H24N2O3/c1-17(2,3)13-6-4-5-7-14(13)18-8-10-19(11-9-18)15(20)12-16(21)22/h4-7H,8-12H2,1-3H3,(H,21,22)
InChIKey
BJJSTQNQWBMPNN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49764239
ChEBI ID
CHEMBL3644468
TTD ID
D0D5AI
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.