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Compound Detail

CHEMBL187670

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Cc1n[nH]c(-c2ccc(O)c(Cl)c2)c1-c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187670
Phase Preclinical
Structure Type MOL
InChI Key YFAFFZTZLFPMKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.8
MW (Da)
4.18
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClN2O3
MW 342.78
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
15955698 10.1016/j.bmcl.2005.05.046 ATP-dependent molecular chaperone HSP82 1
15955698 10.1016/j.bmcl.2005.05.046 HCT-116 1

Data from ChEMBL 36 via Core Engine