Compound Detail
CHEMBL316103
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Basic Information
| ChEMBL ID | CHEMBL316103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLKUJNGEGZDXGO-XVKPBYJWSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
-0.15
ALogP
4
HBA
4
HBD
112.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.36
IC50 2 meas.
EC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 5.36 | 5.36 | 4365.2 | 2 |
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 4.05 | 4.05 | 90000.0 | 2 |
| Solute carrier family 15 member 1 CHEMBL4605 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 4400.0 | nM | 5.36 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 4365.16 | nM | 5.36 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 1 | Ki | = | 90000.0 | nM | 4.05 | Inhibition constant (Ki) for human intestinal peptide carrier | 14667225 |
| Solute carrier family 15 member 1 | Ki | = | 90000.0 | nM | 4.05 | Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells | 15974593 |
| 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 |
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
Data from ChEMBL 36 via Core Engine