Details of the Drug | DrugMAP

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
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 TTD ID D0D5AI

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.