Compound Detail
CHEMBL169580
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Nc1ncnc2c1ncn2C1CN(CCP(=O)(O)O)CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
Basic Information
| ChEMBL ID | CHEMBL169580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTPHTWMRKKFRJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
598.2
MW (Da)
-0.87
ALogP
14
HBA
7
HBD
299.4
PSA (Ų)
0.15
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 41000.0 | nM | 4.39 | 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 | 3 |
Data from ChEMBL 36 via Core Engine