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Compound Detail

CHEMBL1643582

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Cc1cc2c(ccc3c(=O)cc(-c4ccccc4)[nH]c32)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1643582
Phase Preclinical
Structure Type MOL
InChI Key NFBJOHGDKMEZOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
3.98
ALogP
1
HBA
2
HBD
48.6
PSA (Ų)
0.54
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 C18H14N2O
MW 274.32
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
21145750 10.1016/j.bmc.2010.11.010 HUVEC 1

Data from ChEMBL 36 via Core Engine