Compound Detail
CHEMBL124632
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Basic Information
| ChEMBL ID | CHEMBL124632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPANETAWYGDRLL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
135.2
MW (Da)
0.55
ALogP
2
HBA
3
HBD
75.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.2
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Mannan-binding lectin serine protease 2 CHEMBL4295646 | Ki | 4.2 | 4.2 | 62500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory activity against Urokinase-type plasminogen activator | 11052791 |
| Mannan-binding lectin serine protease 2 | Ki | = | 62500.0 | nM | 4.2 | Enzymatic Assay for MASP-2: The assay was run at room temperature in an assay bu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9834151 | 10.1021/np980117p | Unchecked | 5 |
| 27132164 | 10.1016/j.ejmech.2016.04.030 | ADMET | 2 |
| 27132164 | 10.1016/j.ejmech.2016.04.030 | NON-PROTEIN TARGET | 2 |
| 11052791 | 10.1021/jm0002228 | Urokinase-type plasminogen activator | 1 |
| 11052791 | 10.1021/jm0002228 | No relevant target | 1 |
| 15380220 | 10.1016/j.bmcl.2004.07.054 | Unchecked | 1 |
| 20427101 | 10.1016/j.ejmech.2010.03.044 | NON-PROTEIN TARGET | 1 |
| 26367391 | 10.1021/acs.jmedchem.5b00612 | Unchecked | 1 |
| 27132164 | 10.1016/j.ejmech.2016.04.030 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine