Compound Detail
CHEMBL5219135
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Basic Information
| ChEMBL ID | CHEMBL5219135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGSQMTWUEXIOHV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.3
MW (Da)
1.04
ALogP
6
HBA
5
HBD
148.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 4.22 | 4.22 | 59800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 15200.0 | nM | 4.82 | Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO ... | 34762429 |
| Egl nine homolog 1 | IC50 | = | 59800.0 | nM | 4.22 | Inhibition of recombinant N-terminal hexahistidine-tagged human PDH2 (181 to 426... | 34762429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Egl nine homolog 1 | 1 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Hypoxia-inducible factor 1-alpha inhibitor | 1 |
Data from ChEMBL 36 via Core Engine