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Compound Detail

CHEMBL282703

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Cc1cc(C(=O)Nc2ccc(C(=N)N3CCOCC3)cc2F)n(-c2cc3ccccc3cc2F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282703
Phase Preclinical
Structure Type MOL
InChI Key DZVITLXDZRGFHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
4.52
ALogP
5
HBA
2
HBD
83.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F2N5O2
MW 475.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 6.87 6.87 134.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 134.0 nM 6.87 In vitro inhibitory activity against human coagulation factor X 14980671

Literature References

PubMed DOI Target Context # Activities
14980671 10.1016/j.bmcl.2003.12.054 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine