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Compound Detail

CHEMBL192565

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CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192565
Phase Preclinical
Structure Type MOL
InChI Key CFAWKYSLNUSDHM-JZLCUUEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
7.96
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34O4
MW 458.60
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.40

Literature References

PubMed DOI Target Context # Activities
15828817 10.1021/jm040770b HT-29 2
- 10.1039/C5MD00163C SW480 1
- 10.1039/C5MD00163C HT-29 1
- 10.1039/C5MD00163C NON-PROTEIN TARGET 1
- 10.1039/C5MD00163C HepG2 1
- 10.1039/C5MD00163C ADMET 1

Data from ChEMBL 36 via Core Engine