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Compound Detail

CHEMBL1164161

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CCc1nc2ccccc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164161
Phase Preclinical
Structure Type MOL
InChI Key LUANCFNZZLKBOQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
1.49
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.71
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 C10H10N2O
MW 174.20
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 1

Data from ChEMBL 36 via Core Engine