Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL422692

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422692
Phase Preclinical
Structure Type MOL
InChI Key KZZXWFMSTZOYOO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.39
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O3
MW 280.28
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3084783 10.1021/jm00155a007 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine