Compound Detail
CHEMBL63062
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Basic Information
| ChEMBL ID | CHEMBL63062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYUBQWNJDIAEES-QMMMGPOBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
197.3
MW (Da)
1.19
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Asc-type amino acid transporter 1 CHEMBL4105976 | IC50 | 4.53 | 4.53 | 29300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Asc-type amino acid transporter 1 | IC50 | = | 29300.0 | nM | 4.53 | Inhibition of asc-1 mediated [3H]-D-serine uptake in P2 fraction of rat forebrai... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642562 | 10.1021/jm950750x | Kynurenine--oxoglutarate transaminase 1 | 1 |
Data from ChEMBL 36 via Core Engine