Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL272976

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272976
Phase Preclinical
Structure Type MOL
InChI Key ZGNVPPYWGYCSAK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.51
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25FN2O4S
MW 468.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.25

Activity Summary

Ki 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 450.0 nM 6.35 Inhibition of human factor 10a 18329876

Literature References

PubMed DOI Target Context # Activities
18329876 10.1016/j.bmcl.2008.02.054 Unchecked 2
18329876 10.1016/j.bmcl.2008.02.054 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine