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Compound Detail

CHEMBL3134042

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CC(=O)N/C=C1/C(=O)NC(=O)C(C#N)=C1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3134042
Phase Preclinical
Structure Type MOL
InChI Key UWSHKVCVZXRUMB-XBXARRHUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
-0.50
ALogP
4
HBA
2
HBD
99.1
PSA (Ų)
0.46
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 C10H9N3O3
MW 219.20
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.65

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00149K No relevant target 1

Data from ChEMBL 36 via Core Engine