Compound Detail
CHEMBL190272
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Basic Information
| ChEMBL ID | CHEMBL190272 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VWWGEKCAPBMIFE-SRVKXCTJSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
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 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 5.7 | 5.7 | 1995.3 | 2 |
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 2000.0 | nM | 5.7 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 1995.26 | nM | 5.7 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 1 | Ki | = | 100000.0 | nM | 4.0 | Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells | 15974593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 2 |
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
Data from ChEMBL 36 via Core Engine