ketoconazole (nizoral) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

531.44

ALogP

4.21

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)N1CCN(CC1)c2ccc(OCC3COC(Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
  • InChIKey: XMAYWYJOQHXEEK-UHFFFAOYSA-N
    InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL157101   ChEMBL
ketoconazole *

CHEMBL295698   ChEMBL
levoketoconazole

R9400W927I   NCATS
ketoconazole *

Ketoconazole   Wikipedia

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