Compound Detail
CHEMBL591905
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Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL591905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCICUPZZLIQAPA-XONUMPACSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
756.4
MW (Da)
-2.56
ALogP
23
HBA
9
HBD
387.4
PSA (Ų)
0.07
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 ce... | 20175517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20175517 | 10.1021/jm901621h | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine