Compound Detail
CHEMBL234172
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
CN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCC[C@H]2NC(=O)c2ccc3c(Cl)c[nH]c3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL234172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRUWCJQSBJZAAA-XZOQPEGZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
4.15
ALogP
5
HBA
3
HBD
95.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 7.1 | nM | 8.15 | Inhibition of human factor 10a | 17588746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17588746 | 10.1016/j.bmcl.2007.06.029 | Coagulation factor X | 1 |
| 17588746 | 10.1016/j.bmcl.2007.06.029 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine