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Compound Detail

CHEMBL5407846

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COc1ccccc1C(=O)c1cn(-c2ccccn2)nc1NCc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407846
Phase Preclinical
Structure Type MOL
InChI Key IXCZDEPCSYQGEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
4.26
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19FN4O2
MW 402.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.62

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

Data from ChEMBL 36 via Core Engine