Compound Detail
CHEMBL334823
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Basic Information
| ChEMBL ID | CHEMBL334823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNYMRYXWUVNWPM-ISLYRVAYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.8
MW (Da)
2.83
ALogP
9
HBA
4
HBD
196.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 2 CHEMBL2135 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 2 | EC50 | = | 1.1 | nM | 8.96 | The compound was evaluated for antagonist activity against recombinant rat recep... | 12213051 |
| P2Y purinoceptor 1 | EC50 | = | 4.4 | nM | 8.36 | Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor ... | 12213051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213051 | 10.1021/jm020046y | P2Y purinoceptor 1 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine