SULFAPHENAZOLE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01ED08
UNII: 0J8L4V3F81

Structure
InChI Key QWCJHSGMANYXCW-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 10-20
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C18
- 60000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 130000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 80-318000 - 200-500 11.3-98
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 7-10
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 10-21
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 21.37
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -22.25--3.12
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 0.7-98.59

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 526-08-9
ChEBI 77780
ChEMBL CHEMBL1109
DrugBank DB06729
DrugCentral 2523
EPA CompTox DTXSID2044131
FDA SRS 0J8L4V3F81
Human Metabolome Database HMDB15667
KEGG D01954
PharmGKB PA130231310
PubChem 5335
SureChEMBL SCHEMBL122040
ZINC ZINC000000057490
CONTENTS