Compound Detail
CHEMBL4097522
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
COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4097522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVMDOZYQHUDMET-SXJUZZDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
638.5
MW (Da)
5.56
ALogP
9
HBA
4
HBD
168.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | Ki | 10.22 | 10.22 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | Ki | = | 0.06 | nM | 10.22 | Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mi... | 28687203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28687203 | 10.1016/j.bmcl.2017.06.058 | Coagulation factor XI | 1 |
| 28687203 | 10.1016/j.bmcl.2017.06.058 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine