Compound Detail
CHEMBL608003
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COc1ccc(CNC(=O)[C@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL608003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQAZHNHWXDUXTM-FRLFKWGPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
-0.64
ALogP
11
HBA
4
HBD
166.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-oxoglutarate receptor 1 CHEMBL2325 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-oxoglutarate receptor 1 | Ki | = | 140.0 | nM | 6.85 | Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM ... | 11170630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170630 | 10.1021/jm000150k | 2-oxoglutarate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine