Compound Detail
CHEMBL17171
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Basic Information
| ChEMBL ID | CHEMBL17171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRYULLIZUDQONW-IMJSIDKUSA-N |
1
Targets
8
Activities
3
Assay Types
3
PK Parameters
10
Publications
0
Known Names
Molecular Properties
248.2
MW (Da)
-2.17
ALogP
5
HBA
5
HBD
167.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 3.82
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 | 3.82 | 3.82 | 150000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 39.0 | uM | - |
| KA | 21.0 | uM | - |
| KA | 51.0 | uM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 150000.0 | nM | 3.82 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 151356.12 | nM | 3.82 | 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 |
| 11934582 | 10.1016/s0960-894x(02)00121-x | Carbonic anhydrase 1 | 1 |
| 11934582 | 10.1016/s0960-894x(02)00121-x | Carbonic anhydrase 2 | 1 |
| 11934582 | 10.1016/s0960-894x(02)00121-x | Carbonic anhydrase 4 | 1 |
| 11462970 | 10.1021/jm000406m | Glutamate carboxypeptidase 2 | 1 |
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 1 | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 2 | 1 |
Data from ChEMBL 36 via Core Engine