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Compound Detail

CHEMBL310615

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CCOc1cc2c(cc1OC(C)=O)CCCC1C2CC[C@@]2(C)C1CC[C@@H]2OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310615
Phase Preclinical
Structure Type MOL
InChI Key HWAVFONLHJLREU-JZBYGGRQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
5.19
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34O5
MW 414.54
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.38

Literature References

PubMed DOI Target Context # Activities
10882369 10.1021/jm0001119 Cell line 1
10882369 10.1021/jm0001119 Tubulin 1

Data from ChEMBL 36 via Core Engine