GRISEOFULVIN

Search structure
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: Parent
ATC: D01AA08
UNII: 32HRV3E3D5

Structure
InChI Key DDUHZTYCFQRHIY-RBHXEPJQSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 71.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor ISBN PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 51 Cytochrome P450 family 51A Cytochrome P450 51A1
- 50000 - - -
Enzyme Hydrolase
- - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 66
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 7300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 126-07-8
ChEBI 27779
ChEMBL CHEMBL562
DrugBank DB00400
DrugCentral 1331
EPA CompTox DTXSID8020674
FDA SRS 32HRV3E3D5
Human Metabolome Database HMDB0014544
KEGG C06686
PharmGKB PA449814
PubChem 441140
SureChEMBL SCHEMBL21988
ZINC ZINC000000622123
CONTENTS