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Compound Detail

CHEMBL557827

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CCN1Cc2ccccc2-c2c([nH]c3ccccc23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL557827
Phase Preclinical
Structure Type MOL
InChI Key DJGPHJFGSRFTHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.81
ALogP
1
HBA
1
HBD
36.1
PSA (Ų)
0.72
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 C18H16N2O
MW 276.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
19743863 10.1021/jm900476c Unchecked 1
19743863 10.1021/jm900476c MCF7 1

Data from ChEMBL 36 via Core Engine