Details of the Drug

General Information of Drug (ID: DML5KXB)

• Drug Name: US20160326143, 3
• Synonyms: CHEMBL3899164; BDBM223228; US20160326143, 3; 2-(5-((4-Chlorophenyl)((1-(trifluoromethyl)cyclopropyl)methyl)amino)-3-methoxypicolinoyl)cyclopropanecarboxylic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 468.9
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C22H20ClF3N2O4
  IUPAC Name: 2-[5-(4-chloro-N-(1-cyclopropyl-2,2,2-trifluoroethyl)anilino)-3-methoxypyridine-2-carbonyl]cyclopropane-1-carboxylic acid
  Canonical SMILES: COC1=C(N=CC(=C1)N(C2=CC=C(C=C2)Cl)C(C3CC3)C(F)(F)F)C(=O)C4CC4C(=O)O
  InChI: InChI=1S/C22H20ClF3N2O4/c1-32-17-8-14(10-27-18(17)19(29)15-9-16(15)21(30)31)28(13-6-4-12(23)5-7-13)20(11-2-3-11)22(24,25)26/h4-8,10-11,15-16,20H,2-3,9H2,1H3,(H,30,31)
  InChIKey: LWAUMGSKFOFDCB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 126961660
  TTD ID: D0L5VH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene C4 synthase (LTC4S)	TTW7OTG	LTC4S_HUMAN	Inhibitor	[1]

References

• [1] COMPOUNDS AND USES. US20160326143.