Compound Detail
CHEMBL364928
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N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL364928 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WVHUFSCKCBQKJW-HKUYNNGSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
0.67
ALogP
5
HBA
6
HBD
157.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 5.77 | 5.77 | 1698.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 1700.0 | nM | 5.77 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 1698.24 | nM | 5.77 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine