Compound Detail
CHEMBL1256743
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Cc1nc(/N=N/c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c(COP(=O)([O-])[O-])c(C=O)c1O.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1256743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KURWUCJJNVPCHT-PGXCWKBOSA-J |
| Parent Compound | CHEMBL69234 |
| Active Moiety | CHEMBL69234 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.4
MW (Da)
1.43
ALogP
11
HBA
5
HBD
250.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 13 CHEMBL3321651 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 13 | IC50 | = | 11600.0 | nM | 4.94 | Antagonist activity at P2Y13 (unknown origin) | 27413802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 27413802 | 10.1021/acs.jmedchem.5b01972 | P2Y purinoceptor 13 | 1 |
Data from ChEMBL 36 via Core Engine