Compound Detail
CHEMBL5219989
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Basic Information
| ChEMBL ID | CHEMBL5219989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIURAOCBPHFCPT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
1.82
ALogP
5
HBA
3
HBD
112.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 4.63 | 4.615 | 23200.0 | 2 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 4.39 | 4.39 | 40500.0 | 1 |
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 23200.0 | nM | 4.63 | Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO ... | 34762429 |
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO ... | 34762429 |
| Lysine-specific demethylase 5B | IC50 | = | 40500.0 | nM | 4.39 | Inhibition of human KDM5B preincubated for 15 mins followed by substrate additio... | 34762429 |
| Lysine-specific demethylase 2A | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of human KDM2A preincubated for 15 mins followed by substrate additio... | 34762429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Alpha-ketoglutarate-dependent dioxygenase FTO | 2 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Lysine-specific demethylase 6B | 1 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Egl nine homolog 1 | 1 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Lysine-specific demethylase 3A | 1 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Lysine-specific demethylase 4C | 1 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Lysine-specific demethylase 5B | 1 |
| 34762429 | 10.1021/acs.jmedchem.1c01204 | Lysine-specific demethylase 2A | 1 |
Data from ChEMBL 36 via Core Engine