Compound Detail
CHEMBL214174
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Basic Information
| ChEMBL ID | CHEMBL214174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTSMBLLZBBYZQP-BBRMVZONSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
1.62
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 3700.0 | nM | 5.43 | Displacement of [14C]Gly-Sar from rat PEPT2 in SKPT0193 C1.2 cells | 16821788 |
| Solute carrier family 15 member 1 | Ki | = | 20000.0 | nM | 4.7 | Displacement of [14C]Gly-Sar from human PEPT1 in Caco-2 cells | 16821788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821788 | 10.1021/jm0601811 | Solute carrier family 15 member 2 | 1 |
| 16821788 | 10.1021/jm0601811 | Solute carrier family 15 member 1 | 1 |
| 16821788 | 10.1021/jm0601811 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine