Details of the Drug | DrugMAP

General Information of Drug (ID: DMKCYSD)

Drug Name	Isoxazoles and isoxazoline derivative 2
Synonyms	PMID27172114-Compound-83
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			274.1
	Logarithm of the Partition Coefficient (xlogp)			2.6
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C11H9Cl2NO3 IUPAC Name 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid Canonical SMILES C1C(C(=NO1)C2=CC(=C(C=C2)Cl)Cl)CC(=O)O InChI InChI=1S/C11H9Cl2NO3/c12-8-2-1-6(3-9(8)13)11-7(4-10(15)16)5-17-14-11/h1-3,7H,4-5H2,(H,15,16) InChIKey JUWLIQWWDGCIRH-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 44634450 TTD ID D00XMF

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]

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Molecular Interaction Atlas (MIA)

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References

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