Compound Detail
CHEMBL3647999
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Basic Information
| ChEMBL ID | CHEMBL3647999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBTFWKISFQNFGQ-MRXNPFEDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
-1.42
ALogP
7
HBA
6
HBD
187.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase plasminogen activator surface receptor CHEMBL3638329 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Serine protease 1 CHEMBL3638328 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Prothrombin CHEMBL3078 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Plasminogen CHEMBL3204 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase plasminogen activator surface receptor | Ki | = | 100.0 | nM | 7.0 | Enzyme Assay: Inhibition constant of the compound against Plasminogen activator ... | - |
| Serine protease 1 | Ki | = | 410.0 | nM | 6.39 | Enzyme Assay: Inhibition constant of the compound against Trypsin | - |
| Prothrombin | Ki | = | 1600.0 | nM | 5.8 | Enzyme Assay: Inhibition constant of the compound against Thrombin | - |
| Plasminogen | Ki | = | 37000.0 | nM | 4.43 | Enzyme Assay: Inhibition constant of the compound against Plasmin | - |
Data from ChEMBL 36 via Core Engine