Compound Detail
CHEMBL1160012
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Basic Information
| ChEMBL ID | CHEMBL1160012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
102.1
MW (Da)
1.12
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.39
EC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 20 CHEMBL5269 | Ki | 4.39 | 4.39 | 40700.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.28 | 4.28 | 52140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 20 | Ki | = | 40738.03 | nM | 4.39 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 20 | Ki | = | 40700.0 | nM | 4.39 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Unchecked | EC50 | = | 52140.0 | nM | 4.28 | Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia ... | 33848153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 6 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 20 | 2 |
| 33848153 | 10.1021/acs.jmedchem.1c00124 | Unchecked | 2 |
| 12668014 | 10.1016/s0960-894x(03)00166-5 | L-xylulose reductase | 1 |
| 17553798 | 10.1074/jbc.m703467200 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine