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Compound Detail

CHEMBL1669099

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Nc1ccc(C(=O)/C=C/c2ccc3[nH]ccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1669099
Phase Preclinical
Structure Type MOL
InChI Key AYXGJTVBVRLXKS-KRXBUXKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
3.65
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O
MW 262.31
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
21216142 10.1016/j.bmcl.2010.12.045 Unchecked 1

Data from ChEMBL 36 via Core Engine