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Compound Detail

CHEMBL1869748

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CC1(CCc2ccccc2)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1869748
Phase Preclinical
Structure Type MOL
InChI Key ABQYGDKEPFRUBO-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
1.22
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.75
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 C12H14N2O2
MW 218.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.24

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
31744675 10.1016/j.bmcl.2019.126815 Aldo-keto reductase family 1 member B1 3

Data from ChEMBL 36 via Core Engine