Compound Detail
CHEMBL5281019
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Cc1nc(/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(COP(=O)(O)O)c(C=O)c1O
Basic Information
| ChEMBL ID | CHEMBL5281019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIYCSQYPGGJSRN-ISLYRVAYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.7
MW (Da)
3.49
ALogP
9
HBA
3
HBD
184.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
| P2Y purinoceptor 13 CHEMBL3321651 | IC50 | 6.18 | 6.18 | 660.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 501.19 | nM | 6.3 | Antagonist activity at human pA2 | 27413802 |
| P2Y purinoceptor 13 | IC50 | = | 660.69 | nM | 6.18 | Antagonist activity at human P2Y13 | 27413802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27413802 | 10.1021/acs.jmedchem.5b01972 | P2Y purinoceptor 13 | 1 |
| 27413802 | 10.1021/acs.jmedchem.5b01972 | Phospholipase A2, membrane associated | 1 |
Data from ChEMBL 36 via Core Engine