Compound Detail
CHEMBL4784624
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CCC(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4784624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRTSVHKDABJZIN-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.21
ALogP
7
HBA
1
HBD
132.7
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 2 | 2 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 4 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 6 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 1 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 12 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 14 | 1 |
Data from ChEMBL 36 via Core Engine