Details of the Drug

General Information of Drug (ID: DMTPNI4)

• Drug Name: BMS-480404
• Synonyms: UNII-T78485CEYD; BMS-480404; T78485CEYD; CHEMBL378857; 533889-36-0; BDBM50192462; Benzeneacetic acid, 2,3-bis((2-chlorophenyl)methoxy)-alpha-hydroxy-, (alphaS)-; (S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxyacetic 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); 433.3
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H18Cl2O5
  IUPAC Name: (2S)-2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-hydroxyacetic acid
  Canonical SMILES: C1=CC=C(C(=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3Cl)[C@@H](C(=O)O)O)Cl
  InChI: InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1
  InChIKey: NCWQPARYSYJFNI-FQEVSTJZSA-N
• Cross-matching ID:
  PubChem CID: 16046219
  CAS Number: 533889-36-0
  TTD ID: D0WF7I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein 4 (FABP4)	TTHWMFZ	FABP4_HUMAN	Inhibitor	[1]
Fatty acid-binding protein 5 (FABP5)	TTNT2S6	FABP5_HUMAN	Inhibitor	[1]

References

• [1] NMR structure of a potent small molecule inhibitor bound to human keratinocyte fatty acid-binding protein. J Med Chem. 2006 Aug 10;49(16):5013-7.