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

CHEMBL2172245

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
Cc1cccc(C(=O)Nc2ccccc2C(N)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172245
Phase Preclinical
Structure Type MOL
InChI Key OTULFMIRDUHCSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.35
ALogP
2
HBA
2
HBD
72.2
PSA (Ų)
0.88
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 C15H14N2O2
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
22881866 10.1021/jm300841n Aldo-keto reductase family 1 member C3 1
22881866 10.1021/jm300841n Aldo-keto reductase family 1 member C1 1

Data from ChEMBL 36 via Core Engine