SULCONAZOLE NITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1T89100D5U

Structure
InChI Key CRKGMGQUHDNAPB-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 17.82
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 51 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
- - - - 108

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
33.33
Immune system disorders
33.33
Injury, poisoning and procedural complications
33.33

Cross References

Resources Reference
ChEBI 9326
ChEMBL CHEMBL1200348
EPA CompTox DTXSID2045490
FDA SRS 1T89100D5U
KEGG C08076
PubChem 65495
SureChEMBL SCHEMBL36906
ZINC ZINC03873371
CONTENTS