Details of the Drug

General Information of Drug (ID: DMUE0D6)

Drug Name

2-(1,1'-Biphenyl-4-Yl)Propanoic Acid

Synonyms

alpha-Methyl-4-biphenylacetic acid; 6341-72-6; BPPA; NSC 16300; Ly 71130; 2-(p-Biphenyl)propionic acid; 2-(4-phenylphenyl)propanoic acid; 4-BIPHENYLACETIC ACID, alpha-METHYL-; CHEMBL317434; 2-Biphenyl-4-yl-propionic acid; Biprofen; 2-(4-Biphenylyl)propionic Acid; (1,1'-Biphenyl)-4-acetic acid, alpha-methyl-; 2-[1,1'-biphenyl]-4-ylpropanoic acid; [1,1'-Biphenyl]-4-aceticacid, a-methyl-; [1,1'-Biphenyl]-4-acetic acid, alpha-methyl-; alpha-Methyl-4-biphenyl-acetic acid; p-Phenylhydratropic Acid; 2-(4-Biphenyl)propionic acid,; Alpha-Methyl-4-biphenyl-acetic acid

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)

226.27

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H14O2
IUPAC Name: (2S)-2-(4-phenylphenyl)propanoic acid
Canonical SMILES: C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKey: JALUUBQFLPUJMY-NSHDSACASA-N