Details of the Drug

General Information of Drug (ID: DMUDE89)

• Drug Name: US20160326143, 38
• Synonyms: CHEMBL3901235; SCHEMBL18205890; BDBM223263; US20160326143, 38; 2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen-3-yl)amino)-3-methoxypicolinoyl)cyclopropanecarboxylic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 442.5
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C27H26N2O4
  IUPAC Name: 2-[5-[cyclopropylmethyl(1,2-dihydroacenaphthylen-3-yl)amino]-3-methoxypyridine-2-carbonyl]cyclopropane-1-carboxylic acid
  Canonical SMILES: COC1=C(N=CC(=C1)N(CC2CC2)C3=C4CCC5=CC=CC(=C54)C=C3)C(=O)C6CC6C(=O)O
  InChI: InChI=1S/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-8-17-4-2-3-16-7-9-19(22)24(16)17/h2-4,8,10-11,13,15,20-21H,5-7,9,12,14H2,1H3,(H,31,32)
  InChIKey: VUVDRPVJLHQYMJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122670142
  TTD ID: D0V6RN

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. US9657001.