Compound Detail
CHEMBL119647
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Basic Information
| ChEMBL ID | CHEMBL119647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFVLIVCXTIGACT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
1.52
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.25 | 4.25 | 56000.0 | 1 |
| Neutrophil cytosol factor 1 CHEMBL1613743 | Ki | 2.86 | 2.86 | 1380000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 56000.0 | nM | 4.25 | Binding affinity towards Urokinase-type plasminogen activator | 15214773 |
| Neutrophil cytosol factor 1 | Ki | = | 1380000.0 | nM | 2.86 | Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 t... | 31922756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34865870 | 10.1016/j.ejmech.2021.113975 | Unchecked | 3 |
| 15214773 | 10.1021/jm040031v | Urokinase-type plasminogen activator | 1 |
| 15341942 | 10.1016/j.bmcl.2004.07.032 | Melanin-concentrating hormone receptor 1 | 1 |
| 15481978 | 10.1021/jm049533z | Tyrosine-protein kinase TEC | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Nitric oxide synthase, inducible | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 31922756 | 10.1021/acs.jmedchem.9b01492 | Neutrophil cytosol factor 1 | 1 |
| 34779640 | 10.1021/acs.jmedchem.1c01318 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine