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Compound Detail

CHEMBL306898

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O=C(O)CNC(=O)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306898
Phase Preclinical
Structure Type MOL
InChI Key YQHPVWRRSORYIV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
1.65
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO3
MW 229.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.78

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1906108 10.1021/jm00111a030 Aldo-keto reductase family 1 member B1 1
19305397 10.1038/nchembio.155 Unchecked 1

Data from ChEMBL 36 via Core Engine