Compound Detail
CHEMBL214444
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
Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CC[C@H](O)C4)cc3)cnc12
Basic Information
| ChEMBL ID | CHEMBL214444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZTLUQWQCIFDEZ-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
3.84
ALogP
10
HBA
2
HBD
128.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.5 | nM | 9.3 | Binding affinity to human f10a | 16870435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870435 | 10.1016/j.bmcl.2006.07.002 | Coagulation factor X | 2 |
| 16870435 | 10.1016/j.bmcl.2006.07.002 | Coagulation factor VII/tissue factor | 1 |
Data from ChEMBL 36 via Core Engine