Compound Detail
CHEMBL189368
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Basic Information
| ChEMBL ID | CHEMBL189368 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BYXHQQCXAJARLQ-ZLUOBGJFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
-1.57
ALogP
4
HBA
4
HBD
121.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripeptidyl-peptidase 2 CHEMBL4675 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 4.75 | 4.745 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripeptidyl-peptidase 2 | Ki | = | 14000.0 | nM | 4.85 | Inhibition potency against Cholecystokinin-8-Inactivating Peptidase (Serine Pept... | 10691692 |
| Solute carrier family 15 member 2 | Ki | = | 18000.0 | nM | 4.75 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 18197.01 | nM | 4.74 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18794383 | 10.1128/aac.01648-07 | Saccharomyces cerevisiae | 7 |
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
| 10691692 | 10.1021/jm990226g | Tripeptidyl-peptidase 2 | 1 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
Data from ChEMBL 36 via Core Engine