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Compound Detail

CHEMBL5422724

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COc1ccccc1OC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422724
Phase Preclinical
Structure Type MOL
InChI Key FEJVHUPQEJVZSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
4.15
ALogP
8
HBA
1
HBD
91.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN5O3
MW 419.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.49

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