Compound Detail
CHEMBL577677
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=C1c2c(c(C(F)(F)F)nn2-c2cccc(-c3n[nH]c(=O)[nH]3)c2)CCN1c1ccc(-c2ccccc2CN2CC[C@@H](O)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL577677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBWAYLVOTDFQQI-XMMPIXPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
615.6
MW (Da)
4.41
ALogP
7
HBA
3
HBD
123.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.08 | 9.08 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.84 | nM | 9.08 | Inhibition of human factor 10a | 20100660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Coagulation factor X | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Prothrombin | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Plasma | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine