Compound Detail
CHEMBL5274121
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Basic Information
| ChEMBL ID | CHEMBL5274121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMTJSWVYLYQGEU-ONEGZZNKSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
-0.52
ALogP
4
HBA
3
HBD
108.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of human full length FTO expressed in Escherichia coli BL21 (DE3) Ros... | 34792334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase AlkB | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | DNA oxidative demethylase ALKBH2 | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | RNA demethylase ALKBH5 | 1 |
Data from ChEMBL 36 via Core Engine