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Compound Detail

CHEMBL95599

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Oc1nc2ccccc2c2oc3ccccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95599
Phase Preclinical
Structure Type MOL
InChI Key WFRXPWMZAMUTCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
3.84
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9NO2
MW 235.24
Aromatic Rings 4
Heavy Atoms 18
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
11597420 10.1016/s0960-894x(01)00578-9 Protein kinase Pfmrk 1
17591441 10.1016/j.bmcl.2007.05.104 HUVEC 1

Data from ChEMBL 36 via Core Engine