Compound Detail
CHEMBL190869
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Basic Information
| ChEMBL ID | CHEMBL190869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSLGSUIQZJQFAC-LRDDRELGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
1.81
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 5.0 | 4.85 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 1 | Ki | = | 10000.0 | nM | 5.0 | Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells | 15974593 |
| Solute carrier family 15 member 1 | Ki | = | 20000.0 | nM | 4.7 | Inhibition constant (Ki) for human intestinal peptide carrier | 14667225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
Data from ChEMBL 36 via Core Engine