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Compound Detail

CHEMBL491304

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COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(=O)C(C)(C)C(=O)C[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491304
Phase Preclinical
Structure Type MOL
InChI Key PWLHVTJCMHHDOD-NTCNTBNZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
2.88
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClO6
MW 366.80
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.54

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 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine