Compound Detail
CHEMBL56119
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 | CHEMBL56119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKEXFJVMVGETOO-LURJTMIESA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
-0.44
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.22
IC50 2 meas. best 4.16
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 6000.0 | nM | 5.22 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells | 11007306 |
| Solute carrier family 15 member 1 | IC50 | = | 70000.0 | nM | 4.16 | Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in... | 16759105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 19060912 | 10.1038/nchembio.132 | General amino-acid permease GAP1 | 3 |
| 9190878 | - | Solute carrier family 15 member 1 | 2 |
| 8531138 | - | Solute carrier family 15 member 1 | 2 |
| 9835627 | 10.1172/jci4179 | Solute carrier family 15 member 1 | 2 |
| 3656360 | 10.1021/jm00393a031 | Unchecked | 1 |
| 3656360 | 10.1021/jm00393a031 | No relevant target | 1 |
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 7629809 | 10.1021/jm00014a022 | Unchecked | 1 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 10087037 | - | 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