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Compound Detail

CHEMBL583375

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O=C1C2=C(N=CC2c2ccc(O)cc2)C(=O)c2[nH]ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583375
Phase Preclinical
Structure Type MOL
InChI Key OZKWITRAEFSTBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.22
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.84
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 C16H10N2O3
MW 278.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
19897281 10.1016/j.ejmech.2009.10.019 NON-PROTEIN TARGET 1
19897281 10.1016/j.ejmech.2009.10.019 A549 1
19897281 10.1016/j.ejmech.2009.10.019 PC-3 1

Data from ChEMBL 36 via Core Engine