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Compound Detail

CHEMBL2172246

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Cc1ccc(NC(=O)c2cccnc2)c(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172246
Phase Preclinical
Structure Type MOL
InChI Key ZEPLMSMAAIUWNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.34
ALogP
3
HBA
2
HBD
79.3
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 C14H12N2O3
MW 256.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.40

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
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine