Compound Detail
CHEMBL17697
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL17697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEFJQIDDEAULHB-IMJSIDKUSA-N |
2
Targets
11
Activities
3
Assay Types
3
PK Parameters
13
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
-1.08
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.22
IC50 4 meas. best 4.2
EC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 5.22 | 5.22 | 6000.0 | 3 |
| Solute carrier family 15 member 1 CHEMBL4605 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 4.11 | 4.11 | 78000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | EC50 | 4.1 | 4.1 | 80000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 50.0 | uM | - |
| KA | 110.0 | uM | - |
| KA | 62.0 | uM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 6000.0 | nM | 5.22 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 6025.6 | nM | 5.22 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 6000.0 | nM | 5.22 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells | 7495840 |
| Solute carrier family 15 member 1 | IC50 | = | 63000.0 | nM | 4.2 | TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 25000 uM) in PEPT1-expres... | 8956326 |
| Solute carrier family 15 member 1 | Ki | = | 78000.0 | nM | 4.11 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells | 7495840 |
| Solute carrier family 15 member 1 | EC50 | = | 80000.0 | nM | 4.1 | Activation of human PEPT1 expressed in MDCK cells | 16759105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18794383 | 10.1128/aac.01648-07 | Saccharomyces cerevisiae | 11 |
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 2 |
| 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 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 2502630 | 10.1021/jm00128a033 | Unchecked | 1 |
| 10087037 | - | Solute carrier family 15 member 1 | 1 |
| 8956326 | 10.1023/a:1016476220296 | Solute carrier family 15 member 1 | 1 |
| 7495840 | 10.1016/0005-2736(95)00178-7 | Solute carrier family 15 member 2 | 1 |
| 7495840 | 10.1016/0005-2736(95)00178-7 | Solute carrier family 15 member 1 | 1 |
Data from ChEMBL 36 via Core Engine