GRISEOFULVIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC D01AA08 D01BA01
UNII 32HRV3E3D5
EPA CompTox DTXSID8020674

Structure

InChI Key DDUHZTYCFQRHIY-RBHXEPJQSA-N
Smiles COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O
InChI
InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17ClO6
Molecular Weight 352.77
AlogP 2.81
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 71.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Tubulin inhibitor INHIBITOR ISBN PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -8.73--4.49
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 65.59-97.62
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aspergillus niger
- - - - 100-100
Bacillus
- - - - 100-100
Cricetulus griseus
- - - - 65.59-97.62
Electrophorus electricus
- - - -
Equus caballus
- - - -
Escherichia coli
- - - - 100-220
Fusarium oxysporum
- - - - 91-100
Homo sapiens
- - - - 0
Penicillium citrinum
- - - - 90-100
Rhizoctonia bataticola
- - - - 100-100
Trichophyton mentagrophytes
- 58 - - -
Trichophyton rubrum
- 380 - - -

Environmental Exposure

Environmental Exposure Map
Countries
Vietnam

Cross References

Resources Reference
ChEBI 27779
ChEMBL CHEMBL562
DrugBank DB00400
DrugCentral 1331
FDA SRS 32HRV3E3D5
Human Metabolome Database HMDB0014544
KEGG C06686
PharmGKB PA449814
PubChem 441140
SureChEMBL SCHEMBL21988
ZINC ZINC000000622123
CONTENTS