Compound Detail
CHEMBL190027
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Basic Information
| ChEMBL ID | CHEMBL190027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLROSWPKSBORFJ-BQBZGAKWSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
-0.83
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 2.59
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 2.59 | 2.585 | 2570395.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 2570395.78 | nM | 2.59 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 2600000.0 | nM | 2.58 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 3 |
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
| 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