SULCONAZOLE NITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 1T89100D5U
EPA CompTox DTXSID2045490

Structure

InChI Key CRKGMGQUHDNAPB-UHFFFAOYSA-N
Smiles Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
InChI
InChI=1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16Cl3N3O3S
Molecular Weight 460.77
AlogP 6.52
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 17.82
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Cytochrome P450 51 inhibitor INHIBITOR KEGG
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 107.55-116.18
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 107.55-116.18

Cross References

Resources Reference
ChEBI 9326
ChEMBL CHEMBL1200348
FDA SRS 1T89100D5U
KEGG C08076
PubChem 65495
SureChEMBL SCHEMBL36906
ZINC ZINC03873371
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