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

CHEMBL482890

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
O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2ncc[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482890
Phase Preclinical
Structure Type MOL
InChI Key CHOPRGUGIIYHMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
3.79
ALogP
4
HBA
1
HBD
83.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN3O3S
MW 431.95
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 1600.0 nM 5.8 Inhibition of human factor 10a 18507371

Literature References

PubMed DOI Target Context # Activities
18507371 10.1021/jm701548u Coagulation factor X 1
18507371 10.1021/jm701548u Plasma 1

Data from ChEMBL 36 via Core Engine