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Compound Detail

CHEMBL4762520

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COC(=O)c1c(/C=C/C=C/c2ccccc2)cc(OC)c(CC=C(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762520
Phase Preclinical
Structure Type MOL
InChI Key AZPVUQBTFFMOTK-QHKWOANTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.42
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O4
MW 378.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
27783522 10.1021/acs.jmedchem.6b01301 Unchecked 3

Data from ChEMBL 36 via Core Engine