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Compound Detail

CHEMBL124257

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COC1=CC(=O)c2c(cc3n2CCC3)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124257
Phase Preclinical
Structure Type MOL
InChI Key KEPINDIIGZTNKX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
1.34
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO3
MW 217.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.91

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7966141 10.1021/jm00048a019 V79 3
9822546 10.1021/jm980328r NAD(P)H dehydrogenase [quinone] 1 2

Data from ChEMBL 36 via Core Engine