Compound Detail
CHEMBL191057
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Basic Information
| ChEMBL ID | CHEMBL191057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXRNAOYBCYVZCD-BQBZGAKWSA-N |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
-0.97
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.96
EC50 1 meas.
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 4.96 | 4.7467 | 11000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 11000.0 | nM | 4.96 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells | 7495840 |
| Solute carrier family 15 member 2 | Ki | = | 23000.0 | nM | 4.64 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 22908.68 | nM | 4.64 | 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 | 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 |
| 9755050 | 10.1152/ajpcell.1998.275.4.c967 | Solute carrier family 15 member 2 | 1 |
| 7495840 | 10.1016/0005-2736(95)00178-7 | Solute carrier family 15 member 1 | 1 |
| 7495840 | 10.1016/0005-2736(95)00178-7 | Solute carrier family 15 member 2 | 1 |
Data from ChEMBL 36 via Core Engine