Compound Detail
CHEMBL400017
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O=C(N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL400017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIRZVWSGQWZUDD-YKSBVNFPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.0
MW (Da)
4.38
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.27 | nM | 9.57 | Inhibition of human factor 10a | 17643988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17643988 | 10.1016/j.bmcl.2007.07.020 | Coagulation factor X | 1 |
| 17643988 | 10.1016/j.bmcl.2007.07.020 | Plasma | 1 |
| 17643988 | 10.1016/j.bmcl.2007.07.020 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine