Compound Detail
CHEMBL5219099
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Basic Information
| ChEMBL ID | CHEMBL5219099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUZYOYPFOLXCFW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
1.13
ALogP
7
HBA
4
HBD
137.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 6.05 | 5.645 | 900.0 | 2 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Hypoxia-inducible factor 1-alpha inhibitor CHEMBL5909 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 4.05 | 4.05 | 89700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 900.0 | nM | 6.05 | Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO ... | 34762429 |
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO ... | 34762429 |
| Egl nine homolog 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of recombinant N-terminal hexahistidine-tagged human PDH2 (181 to 426... | 34762429 |
| Hypoxia-inducible factor 1-alpha inhibitor | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human FIH preincubated for 15 mins followed by substrate addition ... | 34762429 |
| Lysine-specific demethylase 6B | IC50 | = | 89700.0 | nM | 4.05 | Inhibition of human KDM6B 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 | Hypoxia-inducible factor 1-alpha inhibitor | 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