Compound Detail
CHEMBL3144180
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CNc1nc(I)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1
Basic Information
| ChEMBL ID | CHEMBL3144180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFQFIUWCEZBDNH-RRKCRQDMSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.1
MW (Da)
0.35
ALogP
10
HBA
5
HBD
198.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.35
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 6.05 | 6.05 | 891.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 5.35 | 5.35 | 4440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | IC50 | = | 891.0 | nM | 6.05 | In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes. | 10229631 |
| P2Y purinoceptor 1 | EC50 | = | 4440.0 | nM | 5.35 | Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 rec... | 10229631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229631 | 10.1021/jm980657j | P2Y purinoceptor 1 | 4 |
Data from ChEMBL 36 via Core Engine