Compound Detail
CHEMBL6251
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Basic Information
| ChEMBL ID | CHEMBL6251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMZTYIRRBCGARG-VIFPVBQESA-N |
1
Targets
11
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
0.73
ALogP
5
HBA
3
HBD
135.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amino acid transporter CHEMBL3562161 | IC50 | 4.24 | 4.195 | 57000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amino acid transporter | IC50 | = | 57000.0 | nM | 4.24 | Inhibition of ASCT2 mediated [3H]-L-serine uptake at high affinity component in ... | - |
| Amino acid transporter | IC50 | = | 70200.0 | nM | 4.15 | Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glut... | 26750251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643897 | 10.1016/s0960-894x(03)00083-0 | Glutathione hydrolase 1 proenzyme | 4 |
| 12643897 | 10.1016/s0960-894x(03)00083-0 | Unchecked | 2 |
| 26750251 | 10.1016/j.bmcl.2015.12.031 | Neutral amino acid transporter B(0) | 2 |
| 25435145 | 10.1016/j.bmcl.2014.10.098 | Neutral amino acid transporter B(0) | 1 |
| 26750251 | 10.1016/j.bmcl.2015.12.031 | Amino acid transporter | 1 |
| 30522056 | 10.1016/j.ejmech.2018.11.066 | Neutral amino acid transporter B(0) | 1 |
Data from ChEMBL 36 via Core Engine