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Compound Detail

CHEMBL2172244

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NC(=O)c1ccccc1NC(=O)c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172244
Phase Preclinical
Structure Type MOL
InChI Key USDVOLDWRMEYQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.43
ALogP
3
HBA
2
HBD
85.1
PSA (Ų)
0.85
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 C13H11N3O2
MW 241.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.53

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