Compound Detail
CHEMBL60088
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Basic Information
| ChEMBL ID | CHEMBL60088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YERQOXAYAFWFEJ-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
302.1
MW (Da)
2.79
ALogP
2
HBA
2
HBD
49.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.1
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.1 | 6.695 | 79.4 | 4 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Coagulation factor IX CHEMBL2016 | Ki | 6.02 | 6.02 | 950.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 79.43 | nM | 7.1 | Inhibition of urokinase | 19385614 |
| Urokinase-type plasminogen activator | IC50 | = | 210.0 | nM | 6.68 | Inhibition of uPA | 20121198 |
| Urokinase-type plasminogen activator | Ki | = | 210.0 | nM | 6.68 | Inhibition of urokinase-type plasminogen activator (microPa) | 12113833 |
| Urokinase-type plasminogen activator | Ki | = | 320.0 | nM | 6.5 | Inhibition of Human kidney cell urokinase | 11814826 |
| Urokinase-type plasminogen activator | Ki | = | 320.0 | nM | 6.5 | In vitro inhibitory activity against Urokinase-type plasminogen activator (micro... | 11294390 |
| Coagulation factor IX | Ki | = | 950.0 | nM | 6.02 | Inhibition of human recombinant factor 9a by amidolytic assay | 20121198 |
| Coagulation factor X | Ki | = | 22000.0 | nM | 4.66 | Inhibition of factor 10 by amidolytic assay | 20121198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814826 | 10.1016/s0960-894x(01)00787-9 | Urokinase-type plasminogen activator | 1 |
| 11294390 | 10.1016/s0960-894x(01)00102-0 | Urokinase-type plasminogen activator | 1 |
| 12113833 | 10.1016/s0960-894x(02)00312-8 | Urokinase-type plasminogen activator | 1 |
| 19385614 | 10.1021/jm801444x | Urokinase-type plasminogen activator | 1 |
| 20121198 | 10.1021/jm901475e | Coagulation factor IX | 1 |
| 20121198 | 10.1021/jm901475e | Coagulation factor X | 1 |
| 20121198 | 10.1021/jm901475e | Urokinase-type plasminogen activator | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine