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

CHEMBL361147

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
CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)s3)s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361147
Phase Preclinical
Structure Type MOL
InChI Key DBUBLUXPBHYRHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.1
MW (Da)
6.13
ALogP
6
HBA
1
HBD
50.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN4OS2
MW 499.11
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.02

Activity Summary

Ki 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 7.24 7.24 57.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 57.0 nM 7.24 Inhibitory activity against coagulation factor Xa 15261268

Literature References

PubMed DOI Target Context # Activities
15261268 10.1016/j.bmcl.2004.06.020 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine