Compound Detail
CHEMBL4128512
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Basic Information
| ChEMBL ID | CHEMBL4128512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWMPEGNVEXTCDL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
3.20
ALogP
4
HBA
4
HBD
125.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease hepsin CHEMBL2079849 | IC50 | 6.06 | 6.005 | 870.0 | 2 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease hepsin | IC50 | = | 870.0 | nM | 6.06 | Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 resid... | 29701962 |
| Serine protease hepsin | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 resid... | 29701962 |
| Urokinase-type plasminogen activator | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of recombinant C-terminal His10-tagged human uPA (M1 to L431 residues... | 29701962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29701962 | 10.1021/acs.jmedchem.7b01698 | Serine protease hepsin | 2 |
| 29701962 | 10.1021/acs.jmedchem.7b01698 | Urokinase-type plasminogen activator | 2 |
| 29701962 | 10.1021/acs.jmedchem.7b01698 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine