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Compound Detail

CHEMBL1830056

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COc1cccc2c1NC(=O)/C2=C1\Nc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830056
Phase Preclinical
Structure Type MOL
InChI Key ZQHSTNQFIAWKJH-SQFISAMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.67
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2O3
MW 292.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
21802947 10.1016/j.bmcl.2011.07.011 IMR-32 1
21802947 10.1016/j.bmcl.2011.07.011 SK-N-SH 1
21802947 10.1016/j.bmcl.2011.07.011 NON-PROTEIN TARGET 1
21802947 10.1016/j.bmcl.2011.07.011 NHDF 1
21802947 10.1016/j.bmcl.2011.07.011 HUVEC 1
28743492 10.1016/j.bmc.2017.07.009 HepG2 1
29122482 10.1016/j.bmcl.2017.10.069 HT-22 1

Data from ChEMBL 36 via Core Engine