Compound Detail
CHEMBL71175
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CN(C)C(=O)c1cccc(Oc2nc3c(c(Oc4cc(C(=N)N)ccc4O)n2)NC(=O)CN3)c1
Basic Information
| ChEMBL ID | CHEMBL71175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOZWXXUWHDLZMJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
2.12
ALogP
9
HBA
5
HBD
175.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 19.0 | nM | 7.72 | Compound was tested for inhibitory activity against human Coagulation factor X | 9873520 |
| Serine protease 1 | Ki | = | 320.0 | nM | 6.5 | Compound was tested for inhibitory activity against bovine trypsin | 9873520 |
| Prothrombin | Ki | = | 1000.0 | nM | 6.0 | Compound was tested for inhibitory activity against human thrombin | 9873520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Coagulation factor X | 1 |
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Prothrombin | 1 |
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine