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Compound Detail

CHEMBL490547

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COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(Cc3ccccc3)=C(O)C[C@H]1C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490547
Phase Preclinical
Structure Type MOL
InChI Key WUYKQRPMJGVROL-SPSFWMDKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
4.33
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClO6
MW 428.87
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.05

Literature References

PubMed DOI Target Context # Activities
19402668 10.1021/jm801517j Unchecked 1

Data from ChEMBL 36 via Core Engine