Compound Detail
CHEMBL247756
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CCN(CC)Cc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL247756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITHCVPPZUXPRGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
3.49
ALogP
7
HBA
1
HBD
96.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.59 | 9.59 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.26 | nM | 9.59 | Inhibition of human factor 10a | 17174550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17174550 | 10.1016/j.bmcl.2006.11.071 | Coagulation factor X | 1 |
| 17174550 | 10.1016/j.bmcl.2006.11.071 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine