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Compound Detail

CHEMBL5402933

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COC(=O)c1n[nH]c(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402933
Phase Preclinical
Structure Type MOL
InChI Key OSZNPKRMPBUQLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

142.1
MW (Da)
-0.83
ALogP
5
HBA
2
HBD
93.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H6N4O2
MW 142.12
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
36462436 10.1016/j.ejmech.2022.114855 Prothrombin 1
36462436 10.1016/j.ejmech.2022.114855 Coagulation factor X 1
36462436 10.1016/j.ejmech.2022.114855 Unchecked 1

Data from ChEMBL 36 via Core Engine