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Compound Detail

CHEMBL522127

ISOGRISEOFULVIN
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COC1=CC(=O)[C@@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@H](C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522127
Name ISOGRISEOFULVIN
Phase Preclinical
Structure Type MOL
InChI Key FFKRWPQQTGWKIH-RBHXEPJQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
2.81
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClO6
MW 352.77
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.70

Literature References

PubMed DOI Target Context # Activities
19402668 10.1021/jm801517j Unchecked 1
22191585 10.1021/jm200835c Trichophyton mentagrophytes 1
22191585 10.1021/jm200835c Trichophyton rubrum 1
22191585 10.1021/jm200835c NON-PROTEIN TARGET 1
22191585 10.1021/jm200835c MDA-MB-231 1

Data from ChEMBL 36 via Core Engine