Compound Detail
CHEMBL165225
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Basic Information
| ChEMBL ID | CHEMBL165225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HELWDBMFSLVIHL-BWZBUEFSSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.2
MW (Da)
-0.05
ALogP
9
HBA
5
HBD
203.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.14
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 5.14 | 5.14 | 7210.0 | 1 |
| Meleagris gallopavo CHEMBL613110 | EC50 | 5.14 | 5.14 | 7210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | IC50 | = | 2530.0 | nM | 5.6 | Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) ... | 10715151 |
| Unchecked | IC50 | = | 2530.0 | nM | 5.6 | Antagonism of PLC stimulation elicited by 10(nM) 2-Me SADP in turkey RBC | 10691699 |
| P2Y purinoceptor 1 | EC50 | = | 7210.0 | nM | 5.14 | In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activit... | 10715151 |
| Meleagris gallopavo | EC50 | = | 7210.0 | nM | 5.14 | Tested in vitro for effective concentration required for stimulation of phosphol... | 10691699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715151 | 10.1021/jm990249v | P2Y purinoceptor 1 | 4 |
| 10691699 | 10.1021/jm9905211 | Unchecked | 2 |
| 10691699 | 10.1021/jm9905211 | P2Y purinoceptor 1 | 1 |
| 10691699 | 10.1021/jm9905211 | Meleagris gallopavo | 1 |
Data from ChEMBL 36 via Core Engine