Compound Detail
CHEMBL607338
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
Nc1ncnc2c1ncn2[C@@H]1CO[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)C1
Basic Information
| ChEMBL ID | CHEMBL607338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATUACDJWYMPIOV-BIIVOSGPSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.2
MW (Da)
-0.67
ALogP
10
HBA
5
HBD
212.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 8.52 | 6.52 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 3.0 | nM | 8.52 | Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor ... | 12213051 |
| P2Y purinoceptor 1 | EC50 | = | 2990.0 | nM | 5.52 | In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activit... | 10715151 |
| P2Y purinoceptor 1 | EC50 | = | 2990.0 | nM | 5.52 | Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 rec... | 10229631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715151 | 10.1021/jm990249v | P2Y purinoceptor 1 | 3 |
| 10229631 | 10.1021/jm980657j | P2Y purinoceptor 1 | 3 |
| 12213051 | 10.1021/jm020046y | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine