Compound Detail
CHEMBL3220052
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CCN(CC)CC.N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCC#Cc5cccc(CO/N=c6/ccn([C@@H]7O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]7O)c(=O)[nH]6)c5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL3220052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRQZTMUTHMHAPZ-UOYXXSKYSA-N |
| Parent Compound | CHEMBL3302769 |
| Active Moiety | CHEMBL3302769 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1244.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 6 CHEMBL4714 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 6 | EC50 | = | 9.0 | nM | 8.05 | Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 ce... | 26161252 |
| P2Y purinoceptor 2 | EC50 | = | 2500.0 | nM | 5.6 | Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 ce... | 26161252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26161252 | 10.1039/c3md00132f | P2Y purinoceptor 6 | 16 |
| 26161252 | 10.1039/c3md00132f | Unchecked | 2 |
| 26161252 | 10.1039/c3md00132f | P2Y purinoceptor 2 | 1 |
| 26161252 | 10.1039/c3md00132f | P2Y purinoceptor 4 | 1 |
| 26161252 | 10.1039/c3md00132f | P2Y purinoceptor 14 | 1 |
| 26161252 | 10.1039/c3md00132f | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine