Compound Detail
CHEMBL609487
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CC(=O)NCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL609487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPBXYHTYRSJTOG-BITNSZHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
-0.38
ALogP
10
HBA
5
HBD
177.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-oxoglutarate receptor 1 CHEMBL2325 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-oxoglutarate receptor 1 | Ki | = | 10.0 | nM | 8.0 | 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