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Compound Detail

CHEMBL571201

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COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(C)c2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571201
Phase Preclinical
Structure Type MOL
InChI Key CHIHINODPCXPRY-FNORWQNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.62
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O5
MW 328.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.43

Literature References

PubMed DOI Target Context # Activities
19883086 10.1021/jm901278z Unchecked 1

Data from ChEMBL 36 via Core Engine