Compound Detail
CHEMBL380047
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Basic Information
| ChEMBL ID | CHEMBL380047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAEWTDMGFGHWFK-IMJSIDKUSA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
-1.62
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.75
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 | 4.75 | 4.75 | 18000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | Ki | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 18000.0 | nM | 4.75 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells | 7495840 |
| 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 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 14667225 | 10.1021/jm030976x | 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 |
| 28007430 | 10.1016/j.bmc.2016.11.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine