Compound Detail
CHEMBL439762
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Basic Information
| ChEMBL ID | CHEMBL439762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIAZPLMMQOERPN-YUMQZZPRSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
0.05
ALogP
3
HBA
2
HBD
83.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Ki 3 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 4.41 | 4.41 | 38904.5 | 2 |
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 39000.0 | nM | 4.41 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 38904.51 | nM | 4.41 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 1 | Ki | = | 60000.0 | nM | 4.22 | Inhibition constant (Ki) for human intestinal peptide carrier | 14667225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 21621881 | 10.1016/j.ejmech.2011.05.007 | Angiotensin-converting enzyme | 1 |
| 25016232 | 10.1016/j.ejmech.2014.07.015 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine