Compound Detail
CHEMBL1767418
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Basic Information
| ChEMBL ID | CHEMBL1767418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAIWBDSVRZGGKI-PEBGCTIMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
-0.92
ALogP
9
HBA
4
HBD
151.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 5.36 | 5.36 | 4330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 ce... | 21417463 |
| P2Y purinoceptor 4 | EC50 | = | 4330.0 | nM | 5.36 | Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 ce... | 21417463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417463 | 10.1021/jm1016297 | P2Y purinoceptor 2 | 1 |
| 21417463 | 10.1021/jm1016297 | P2Y purinoceptor 4 | 1 |
| 21417463 | 10.1021/jm1016297 | P2Y purinoceptor 6 | 1 |
Data from ChEMBL 36 via Core Engine