Compound Detail
CHEMBL5408048
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Basic Information
| ChEMBL ID | CHEMBL5408048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATJAYPPEKUTPIB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.65
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional peptidase and arginyl-hydroxylase JMJD5 CHEMBL4523396 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 4.64 | 4.64 | 22700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.5 | 31900.0 | 1 |
| Ribosomal oxygenase 2 CHEMBL5465328 | IC50 | 4.48 | 4.48 | 33200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional peptidase and arginyl-hydroxylase JMJD5 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of N-terminal his6-tagged-thioredoxin-tagged human recombinant JMJD5 ... | 37527664 |
| Aspartyl/asparaginyl beta-hydroxylase | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of N-terminal his6-tagged AspH (315 to 758 residues) (unknown origin)... | 37527664 |
| Lysine-specific demethylase 4E | IC50 | = | 22700.0 | nM | 4.64 | Inhibition of N-terminal his6-tagged human recombinant KDM4E expressed in Escher... | 37527664 |
| Unchecked | IC50 | = | 31900.0 | nM | 4.5 | Inhibition of N-terminal his6-tagged FIH (unknown origin) expressed in Escherich... | 37527664 |
| Ribosomal oxygenase 2 | IC50 | = | 33200.0 | nM | 4.48 | Inhibition of N-terminal his6-tagged RIOX2 (26 to 465 residues) (unknown origin)... | 37527664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Egl nine homolog 1 | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Bifunctional peptidase and arginyl-hydroxylase JMJD5 | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Unchecked | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Aspartyl/asparaginyl beta-hydroxylase | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Lysine-specific demethylase 4E | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Ribosomal oxygenase 2 | 1 |
Data from ChEMBL 36 via Core Engine