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Compound Detail

CHEMBL5408843

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COc1ccccc1C(=O)n1nc(C)nc1NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408843
Phase Preclinical
Structure Type MOL
InChI Key NIVCOQNICOAESE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.90
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O2
MW 322.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
36462436 10.1016/j.ejmech.2022.114855 Plasma 2
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