Compound Detail
CHEMBL1200433
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Basic Information
| ChEMBL ID | CHEMBL1200433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGPLGPBQJOQFJS-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1057 |
| Active Moiety | CHEMBL1057 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
3.67
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 5.44 | 5.44 | 3650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 3650.0 | nM | 5.44 | Inhibition of N-terminal 31 residues truncated FTO (unknown origin) demethylase ... | 34792334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27448775 | 10.1016/j.bmc.2016.07.019 | ADMET | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
Data from ChEMBL 36 via Core Engine