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Compound Detail

CHEMBL5395641

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COc1ccccc1NC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395641
Phase Preclinical
Structure Type MOL
InChI Key QCLSDRFPXNGKKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
4.18
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19FN6O2
MW 418.43
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.93

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