Compound Detail
CHEMBL8708
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Basic Information
| ChEMBL ID | CHEMBL8708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDULPPOISZOUTK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
0.96
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| Large neutral amino acids transporter small subunit 1 CHEMBL4149 | Ki | 5.11 | 5.11 | 7700.0 | 1 |
| WiDr CHEMBL614647 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | Ki | = | 5000.0 | nM | 5.3 | Inhibitory activity against leucine-preferring transport system (system L) was d... | 3820226 |
| Large neutral amino acids transporter small subunit 1 | Ki | = | 7700.0 | nM | 5.11 | Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by... | 20466543 |
| WiDr | Ki | = | 37000.0 | nM | 4.43 | Compound was tested for inhibition of 14C-Tryptophan uptake in WiDr human adenoc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20466543 | 10.1016/j.bmcl.2010.04.086 | Large neutral amino acids transporter small subunit 1 | 3 |
| - | 10.1016/S0960-894X(00)80614-9 | WiDr | 1 |
| 3820226 | 10.1021/jm00386a017 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine