Compound Detail
CHEMBL1160766
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Basic Information
| ChEMBL ID | CHEMBL1160766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STTLMODNENPLQQ-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
153.2
MW (Da)
1.13
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.41
IC50 3 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
| Solute carrier family 22 member 3 CHEMBL2073673 | IC50 | 4.56 | 4.56 | 27800.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.41 | 4.275 | 38904.5 | 2 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 4.32 | 4.32 | 48300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 1 | IC50 | = | 22600.0 | nM | 4.65 | Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptak... | 28811134 |
| Solute carrier family 22 member 3 | IC50 | = | 27800.0 | nM | 4.56 | Inhibition of human OCT3 expressed in HEK293 cells assessed as decrease in uptak... | 28811134 |
| Urokinase-type plasminogen activator | Ki | = | 38904.51 | nM | 4.41 | log1/Ki value was calculated against Urokinase-type plasminogen activator | 2231595 |
| Solute carrier family 22 member 2 | IC50 | = | 48300.0 | nM | 4.32 | Inhibition of human OCT2 expressed in HEK293 cells assessed as decrease in uptak... | 28811134 |
| Urokinase-type plasminogen activator | Ki | = | 72400.0 | nM | 4.14 | Inhibition against Urokinase-type plasminogen activator | 2231595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231595 | 10.1021/jm00173a008 | Urokinase-type plasminogen activator | 2 |
| 2231595 | 10.1021/jm00173a008 | Serine protease 1 | 2 |
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Unchecked | 2 |
| 2231595 | 10.1021/jm00173a008 | Plasminogen | 1 |
| 2231595 | 10.1021/jm00173a008 | Prothrombin | 1 |
| 2231595 | 10.1021/jm00173a008 | Tissue-type plasminogen activator | 1 |
| 2231595 | 10.1021/jm00173a008 | Plasma kallikrein | 1 |
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Solute carrier family 22 member 2 | 1 |
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Solute carrier family 22 member 3 | 1 |
| 28811134 | 10.1016/j.bmcl.2017.08.008 | Solute carrier family 22 member 1 | 1 |
Data from ChEMBL 36 via Core Engine