Compound Detail
CHEMBL4208316
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Basic Information
| ChEMBL ID | CHEMBL4208316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHHTUCCEJGIEAY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.94
ALogP
7
HBA
4
HBD
134.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.48 | 5.48 | 3308.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 433.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 83.0 | mL.min-1.g-1 | Mus musculus |
| CL | 1283.0 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 1.033 | hr | Homo sapiens |
| T1/2 | 0.35 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 3308.0 | nM | 5.48 | Inhibition of human kidney uPA using Z-Gly-Gly-Arg-AMC as substrate measured ove... | 30130401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33799173 | 10.1016/j.bmc.2021.116116 | ADMET | 6 |
| 33799173 | 10.1016/j.bmc.2021.116116 | No relevant target | 3 |
| 30130401 | 10.1021/acs.jmedchem.8b00838 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine