Synonyms
Status
Molecule Category Free-form
ATC L01XX07
UNII U78804BIDR
EPA CompTox DTXSID5020782

Structure

InChI Key WDRYRZXSPDWGEB-UHFFFAOYSA-N
Smiles O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChI
InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10Cl2N2O2
Molecular Weight 321.16
AlogP 4.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 55.12
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 108.01-129.03

Cross References

Resources Reference
ChEBI 50138
ChEMBL CHEMBL1257030
DrugBank DB06266
DrugCentral 1598
FDA SRS U78804BIDR
PubChem 39562
SureChEMBL SCHEMBL7134
ZINC ZINC000000001632