Compound Detail
CHEMBL106035
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CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL106035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFBQPRUUOPSVGX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
541.8
MW (Da)
3.66
ALogP
5
HBA
4
HBD
128.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin II CHEMBL4472 | Ki | 6.01 | 6.01 | 980.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.15 | 5.15 | 7100.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin II | Ki | = | 980.0 | nM | 6.01 | Tested for inhibition of trypsin | 10560742 |
| Plasminogen | Ki | = | 7100.0 | nM | 5.15 | Tested for inhibition of plasmin | 10560742 |
| Urokinase-type plasminogen activator | Ki | = | 12000.0 | nM | 4.92 | Tested for inhibition of plasminogen activator urokinase (microPa) | 10560742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10560742 | 10.1016/s0960-894x(99)00541-7 | Urokinase-type plasminogen activator | 1 |
| 10560742 | 10.1016/s0960-894x(99)00541-7 | Plasminogen | 1 |
| 10560742 | 10.1016/s0960-894x(99)00541-7 | Trypsin II | 1 |
Data from ChEMBL 36 via Core Engine