SULFAPHENAZOLE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01ED08
UNII 0J8L4V3F81
EPA CompTox DTXSID2044131

Structure

InChI Key QWCJHSGMANYXCW-UHFFFAOYSA-N
Smiles Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChI
InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14N4O2S
Molecular Weight 314.37
AlogP 2.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 90.01
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Bacterial dihydropteroate synthase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 20
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 80-893 - 200-500 11.3-98
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 7
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 21
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 0.7-104.55
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.59-104.55
Homo sapiens
- 80-893 - - 0.7-98

Cross References

Resources Reference
ChEBI 77780
ChEMBL CHEMBL1109
DrugBank DB06729
DrugCentral 2523
FDA SRS 0J8L4V3F81
Human Metabolome Database HMDB0015667
KEGG D01954
PharmGKB PA130231310
PubChem 5335
SureChEMBL SCHEMBL122040
ZINC ZINC000000057490
CONTENTS