Compound Detail
CHEMBL1814492
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Basic Information
| ChEMBL ID | CHEMBL1814492 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VWWGEKCAPBMIFE-WOPDTQHZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
0.63
ALogP
7
HBA
4
HBD
121.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 5.22 | 5.22 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 6000.0 | nM | 5.22 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 6025.6 | nM | 5.22 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
Data from ChEMBL 36 via Core Engine