Compound Detail
CHEMBL5219094
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5219094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIYSGGPIPRQSEQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
1.27
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 4.46 | 4.455 | 35000.0 | 2 |
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 4.43 | 4.43 | 36800.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 4.25 | 4.25 | 56600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 18400.0 | nM | 4.74 | Inhibition of recombinant N-terminal hexahistidine-tagged human PDH2 (181 to 426... | 34762429 |
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO ... | 34762429 |
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 35200.0 | nM | 4.45 | Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO ... | 34762429 |
| Lysine-specific demethylase 2A | IC50 | = | 36800.0 | nM | 4.43 | Inhibition of human KDM2A preincubated for 15 mins followed by substrate additio... | 34762429 |
| Lysine-specific demethylase 5B | IC50 | = | 56600.0 | nM | 4.25 | Inhibition of human KDM5B 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