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Compound Detail

CHEMBL5427756

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CCOc1ccc2c(C)c(Cc3ccc(C(F)(F)F)cc3)c(=O)oc2c1COC(=O)/C=C/c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5427756
Phase Preclinical
Structure Type MOL
InChI Key SSWYETWSJPCOKY-CXUHLZMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

552.5
MW (Da)
6.87
ALogP
6
HBA
0
HBD
75.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27F3O6
MW 552.55
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
36871374 10.1016/j.ejmech.2023.115218 A2780/Taxol 2

Data from ChEMBL 36 via Core Engine