Compound Detail
CHEMBL355406
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(N)nc2c1ncn2[C@@H]1C[C@H](COP(=O)(O)O)[C@H](OP(=O)(O)O)C1
Basic Information
| ChEMBL ID | CHEMBL355406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHQMVABLPLRMMJ-BWZBUEFSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
-0.01
ALogP
10
HBA
6
HBD
215.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.19
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 5.27 | 5.27 | 5420.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 5.19 | 5.19 | 6510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | IC50 | = | 5420.0 | nM | 5.27 | Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) ... | 10715151 |
| P2Y purinoceptor 1 | EC50 | = | 6510.0 | nM | 5.19 | In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activit... | 10715151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715151 | 10.1021/jm990249v | P2Y purinoceptor 1 | 4 |
Data from ChEMBL 36 via Core Engine