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Compound Detail

CHEMBL254874

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COc1ccc2c(-c3cc(Cl)c(OC)cc3OC)noc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254874
Phase Preclinical
Structure Type MOL
InChI Key VCXYDISNQHVMIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.7
MW (Da)
4.17
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.72
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 C16H14ClNO4
MW 319.74
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
18197612 10.1021/jm701385c Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine