Compound Detail
CHEMBL1672100
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Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(Cc3ccccc3)c2)c2c1C(=O)c1ccccc1C2=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1672100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPEBHFBKRCKQPE-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1741103 |
| Active Moiety | CHEMBL1741103 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
4.63
ALogP
6
HBA
3
HBD
126.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21207957 | 10.1021/jm1012193 | P2X purinoceptor 2 | 1 |
| 21207957 | 10.1021/jm1012193 | P2X purinoceptor 4 | 1 |
| 21207957 | 10.1021/jm1012193 | P2Y purinoceptor 2 | 1 |
| 21207957 | 10.1021/jm1012193 | P2Y purinoceptor 4 | 1 |
| 21207957 | 10.1021/jm1012193 | P2Y purinoceptor 6 | 1 |
| 21207957 | 10.1021/jm1012193 | P2Y purinoceptor 12 | 1 |
Data from ChEMBL 36 via Core Engine