Compound Detail
CHEMBL189777
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Basic Information
| ChEMBL ID | CHEMBL189777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMRMCIYQNRNQDF-ROUUACIJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.35
ALogP
5
HBA
2
HBD
106.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Ki 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 4.17 | 4.17 | 68000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 1 | Ki | = | 68000.0 | nM | 4.17 | Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar | 15341490 |
| Solute carrier family 15 member 1 | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of [14C]Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers | 15341490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341490 | 10.1021/jm040780c | Solute carrier family 15 member 1 | 2 |
Data from ChEMBL 36 via Core Engine