Compound Detail
CHEMBL384527
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O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Br
Basic Information
| ChEMBL ID | CHEMBL384527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWFHOSULCAJGRM-UAKXSSHOSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
563.0
MW (Da)
-1.74
ALogP
12
HBA
7
HBD
264.4
PSA (Ų)
0.17
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 6.66 | 6.2325 | 220.0 | 4 |
| P2Y purinoceptor 6 CHEMBL4714 | EC50 | 6.54 | 6.32 | 291.0 | 2 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 5.46 | 5.23 | 3460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 2 | 1 |
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 4 | 1 |
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 6 | 1 |
| 17302398 | 10.1021/jm060903o | P2Y purinoceptor 2 | 1 |
| 20095577 | 10.1021/jm901450d | P2Y purinoceptor 2 | 1 |
| 20095577 | 10.1021/jm901450d | P2Y purinoceptor 4 | 1 |
| 20095577 | 10.1021/jm901450d | P2Y purinoceptor 6 | 1 |
| 29254895 | 10.1016/j.bmc.2017.11.043 | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine