Details of the Drug

General Information of Drug (ID: DM6K59I)

• Drug Name: Cyclopropane 1-carboxylic acid derivative 3
• Synonyms: PMID27172114-Compound-74
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 273.11
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H10Cl2O3
  IUPAC Name: (1S,2S,3S)-2-(3,4-dichlorobenzoyl)-3-methylcyclopropane-1-carboxylic acid
  Canonical SMILES: C[C@H]1[C@@H]([C@H]1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl
  InChI: InChI=1S/C12H10Cl2O3/c1-5-9(10(5)12(16)17)11(15)6-2-3-7(13)8(14)4-6/h2-5,9-10H,1H3,(H,16,17)/t5-,9-,10-/m0/s1
  InChIKey: JFJFPXNBPGWPNH-AGEOJFDCSA-N
• Cross-matching ID:
  PubChem CID: 117902626
  TTD ID: D0G6DW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kynurenine 3-hydroxylase (KMO)	TTIY56R	KMO_HUMAN	Inhibitor	[1]

References

• [1] Inhibitors of the kynurenine pathway as neurotherapeutics: a patent review (2012-2015).Expert Opin Ther Pat. 2016 Jul;26(7):815-32.