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Compound Detail

CHEMBL5415389

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

Basic Information

ChEMBL ID CHEMBL5415389
Phase Preclinical
Structure Type MOL
InChI Key LFZJGUKFMKVIBN-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
5.73
ALogP
7
HBA
0
HBD
98.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27NO6
MW 509.56
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.32

Literature References

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

Data from ChEMBL 36 via Core Engine