Compound Detail
CHEMBL10650
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Basic Information
| ChEMBL ID | CHEMBL10650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNZLAQCJPCXSEX-JTQLQIEISA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
0.99
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Ki 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 1 CHEMBL4605 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.73 | 4.73 | 18800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.65 | 4.65 | 22200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 1 | IC50 | = | 400.0 | nM | 6.4 | Concentration required to inhibit the maximum [14C]Gly-Sar uptake by human Intes... | 14761208 |
| Solute carrier family 15 member 1 | Ki | = | 400.0 | nM | 6.4 | Affinity fo the compound against human Intestinal peptide transporter PepT1 in C... | 14761208 |
| Unchecked | Ki | = | 18800.0 | nM | 4.73 | Affinity against Renal peptide transporter PepT2 in SKPT cells was measured by t... | 14761208 |
| NON-PROTEIN TARGET | IC50 | = | 22200.0 | nM | 4.65 | Concentration required to inhibit the maximum [14C]Gly-Sar uptake by Renal pepti... | 14761208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761208 | 10.1021/jm031022+ | Solute carrier family 15 member 1 | 2 |
| 14761208 | 10.1021/jm031022+ | NON-PROTEIN TARGET | 1 |
| 14761208 | 10.1021/jm031022+ | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine