Compound Detail
CHEMBL1162558
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N.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1162558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMFAUMODTNUZOS-VNQMUNOFSA-N |
| Parent Compound | CHEMBL1199733 |
| Active Moiety | CHEMBL1199733 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
486.3
MW (Da)
-0.26
ALogP
11
HBA
5
HBD
206.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 14 CHEMBL4518 | EC50 | 5.29 | 5.29 | 5160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 14 | EC50 | = | 5160.0 | nM | 5.29 | Agonist activity at human P2Y14 receptor expressed in HEK293 cells coexpressing ... | 19902968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19902968 | 10.1021/jm901432g | P2Y purinoceptor 14 | 1 |
| 19902968 | 10.1021/jm901432g | P2Y purinoceptor 6 | 1 |
Data from ChEMBL 36 via Core Engine