Compound Detail
CHEMBL1233534
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Basic Information
| ChEMBL ID | CHEMBL1233534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONSQLDCEJIIUJS-XVFCMESISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
-2.45
ALogP
9
HBA
5
HBD
177.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 5.3 | 5.3 | 4980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 4 | EC50 | = | 4980.0 | nM | 5.3 | Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 ce... | 21417463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417463 | 10.1021/jm1016297 | Unchecked | 4 |
| 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