Details of the Drug | DrugMAP

General Information of Drug (ID: DM9ESPR)

Drug Name	A1-10436
Synonyms	N-{[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}glycine; SCHEMBL630380; CHEMBL3644467; BAZIXHMBHKLDIK-UHFFFAOYSA-N; BDBM135826; US8853215, 6; A1-10436
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			319.4
	Logarithm of the Partition Coefficient (xlogp)			2.4
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C17H25N3O3 IUPAC Name 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid Canonical SMILES CC(C)(C)C1=CC=CC=C1N2CCN(CC2)C(=O)NCC(=O)O InChI InChI=1S/C17H25N3O3/c1-17(2,3)13-6-4-5-7-14(13)19-8-10-20(11-9-19)16(23)18-12-15(21)22/h4-7H,8-12H2,1-3H3,(H,18,23)(H,21,22) InChIKey BAZIXHMBHKLDIK-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 46931248 TTD ID D01KKC

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]

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Molecular Interaction Atlas (MIA)

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References

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