Compound Detail
CHEMBL3647986
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C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)NCc1ccc(C(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL3647986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBAZXQQFVDXNHA-SCLBCKFNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
-0.73
ALogP
7
HBA
7
HBD
211.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL3638328 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Urokinase plasminogen activator surface receptor CHEMBL3638329 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Plasminogen CHEMBL3204 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
| Prothrombin CHEMBL3078 | Ki | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 21.0 | nM | 7.68 | Enzyme Assay: Inhibition constant of the compound against Trypsin | - |
| Urokinase plasminogen activator surface receptor | Ki | = | 30.0 | nM | 7.52 | Enzyme Assay: Inhibition constant of the compound against Plasminogen activator ... | - |
| Plasminogen | Ki | = | 4700.0 | nM | 5.33 | Enzyme Assay: Inhibition constant of the compound against Plasmin | - |
| Prothrombin | Ki | = | 8300.0 | nM | 5.08 | Enzyme Assay: Inhibition constant of the compound against Thrombin | - |
Data from ChEMBL 36 via Core Engine