Compound Detail
CHEMBL20561
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
Cc1cc(C(=O)Nc2ccc(-n3ccnc3CN(C)C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
Basic Information
| ChEMBL ID | CHEMBL20561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPLRRZRCKVWXJJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
4.38
ALogP
8
HBA
1
HBD
102.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Ki 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 3.2 | nM | 8.49 | Binding affinity against Coagulation factor X | 14980670 |
| Coagulation factor X | IC50 | = | 8.0 | nM | 8.1 | Inhibitory concentration against human Coagulation factor X | 14980670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980670 | 10.1016/j.bmcl.2003.12.053 | Coagulation factor X | 3 |
Data from ChEMBL 36 via Core Engine