Details of the Drug

General Information of Drug (ID: DMCSIYG)

• Drug Name: Cyclopropane 1-carboxylic acid derivative 5
• Synonyms: PMID27172114-Compound-76
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 287.13
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H12Cl2O3
  IUPAC Name: (1R,3R)-3-(3,4-dichlorobenzoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
  Canonical SMILES: CC1([C@@H]([C@H]1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl)C
  InChI: InChI=1S/C13H12Cl2O3/c1-13(2)9(10(13)12(17)18)11(16)6-3-4-7(14)8(15)5-6/h3-5,9-10H,1-2H3,(H,17,18)/t9-,10-/m0/s1
  InChIKey: LZXZDLJRRHTOOA-UWVGGRQHSA-N
• Cross-matching ID:
  PubChem CID: 117903050
  TTD ID: D0UJ8Z

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.