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Compound Detail

CHEMBL5404675

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COC(=O)/C=C/n1ncn(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404675
Phase Preclinical
Structure Type MOL
InChI Key FMCWCQLMAGJORV-ONEGZZNKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
-0.77
ALogP
6
HBA
0
HBD
66.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9N3O3
MW 183.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
38116420 10.1021/acsmedchemlett.3c00336 Nuclear factor erythroid 2-related factor 2 1
38116420 10.1021/acsmedchemlett.3c00336 THP-1 1

Data from ChEMBL 36 via Core Engine