Compound Detail
CHEMBL188866
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Basic Information
| ChEMBL ID | CHEMBL188866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHGNSVACHBZKSS-KWQFWETISA-N |
3
Targets
7
Activities
3
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
0.63
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.4
EC50 1 meas. best 4.0
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 5.4 | 5.4 | 3981.1 | 2 |
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.15 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 4000.0 | nM | 5.4 | Displacement of [14C]Gly-Sar from rat PEPT2 in SKPT0193 C1.2 cells | 16821788 |
| Solute carrier family 15 member 2 | Ki | = | 4000.0 | nM | 5.4 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 3981.07 | nM | 5.4 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 1 | EC50 | = | 100000.0 | nM | 4.0 | Activation of human PEPT1 expressed in MDCK cells | 16759105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
| 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 |
| 30006163 | 10.1016/j.ejmech.2018.06.064 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine