Compound Detail
CHEMBL5279213
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccc(S(=O)(=O)[O-])cc1C2=O.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL5279213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEAQVLNJBPGBFN-UHFFFAOYSA-L |
| Parent Compound | CHEMBL5316065 |
| Active Moiety | CHEMBL5316065 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.3
MW (Da)
1.30
ALogP
7
HBA
3
HBD
168.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 64000.0 | nM | 4.19 | Displacement of ssDNA with ATTGTCA (m6A) CAGCAGA-FAM from human FTO measured aft... | 34792334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
Data from ChEMBL 36 via Core Engine