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

CHEMBL256458

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(OC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256458
Phase Preclinical
Structure Type MOL
InChI Key OMCCPURCGAUBPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
4.48
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.53
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 C25H24FNO5S
MW 469.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.90

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 200.0 nM 6.7 Inhibition of human factor 10a 18329876

Literature References

PubMed DOI Target Context # Activities
18329876 10.1016/j.bmcl.2008.02.054 Unchecked 3
18329876 10.1016/j.bmcl.2008.02.054 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine