Compound Detail
CHEMBL608000
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL608000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPOJGSHCVPOTHR-XMPBIXIQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
0.11
ALogP
9
HBA
4
HBD
148.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-oxoglutarate receptor 1 CHEMBL2325 | Ki | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-oxoglutarate receptor 1 | Ki | = | 1040.0 | nM | 5.98 | Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM ... | 11170630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7365748 | 10.1021/jm00177a021 | Canis familiaris | 12 |
| 7365748 | 10.1021/jm00177a021 | Mus musculus | 2 |
| 11170630 | 10.1021/jm000150k | 2-oxoglutarate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine