Compound Detail
CHEMBL5409822
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Basic Information
| ChEMBL ID | CHEMBL5409822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAEPGZOJNIDSPO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
2.13
ALogP
6
HBA
3
HBD
142.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
| Bifunctional peptidase and arginyl-hydroxylase JMJD5 CHEMBL4523396 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of N-terminal his6-tagged human recombinant AspH (315 to 758 residues... | 37527664 |
| Bifunctional peptidase and arginyl-hydroxylase JMJD5 | IC50 | = | 17900.0 | nM | 4.75 | Inhibition of N-terminal his6-tagged human recombinant JMJD5 (183 to 416 residue... | 37527664 |
| Lysine-specific demethylase 4E | IC50 | = | 56000.0 | nM | 4.25 | Inhibition of KDM4E (unknown origin) by FDH-coupled spectrophotometric turnover ... | 37527664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Bifunctional peptidase and arginyl-hydroxylase JMJD5 | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Lysine-specific demethylase 4E | 1 |
| 37527664 | 10.1021/acs.jmedchem.3c01114 | Aspartyl/asparaginyl beta-hydroxylase | 1 |
Data from ChEMBL 36 via Core Engine