Details of the Drug

General Information of Drug (ID: DMSN7GJ)

• Drug Name: (+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid
• Synonyms: CHEMBL572982; (+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid; SCHEMBL5613354; ILGSIIFHQGOKKV-UHFFFAOYSA-N; BDBM50300465; 5-biphenyl-4-yl-3-hydroxy-pentanoic acid; 5-(biphenyl-4-yl)-3-hydroxypentanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.32
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H18O3
  IUPAC Name: 3-hydroxy-5-(4-phenylphenyl)pentanoic acid
  Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)O
  InChI: InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)
  InChIKey: ILGSIIFHQGOKKV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11391583
  TTD ID: D0G3YZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-12 (MMP-12)	TTXZ0KQ	MMP12_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-13 (MMP-13)	TTHY57M	MMP13_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-2 (MMP-2)	TTLM12X	MMP2_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-9 (MMP-9)	TT6X50U	MMP9_HUMAN	Inhibitor	[1]

References

• [1] The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5760-3.