Compound Detail
CHEMBL474311
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
Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NCC2CC2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL474311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCRCRYBUHYWWQT-GRXQJBFDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.9
MW (Da)
1.55
ALogP
9
HBA
4
HBD
134.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.53 | 7.53 | 29.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 29.51 | nM | 7.53 | Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CH... | 18973967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18973967 | 10.1016/j.ejmech.2008.09.022 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine