Compound Detail
CHEMBL5423241
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Basic Information
| ChEMBL ID | CHEMBL5423241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHCWCKVMCHDNKV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
3.11
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
| Bifunctional peptidase and arginyl-hydroxylase JMJD5 CHEMBL4523396 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase | IC50 | = | 1860.0 | nM | 5.73 | Inhibition of N-terminal his6-tagged human recombinant AspH (315 to 758 residues... | 37527664 |
| Bifunctional peptidase and arginyl-hydroxylase JMJD5 | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of N-terminal his6-tagged human recombinant JMJD5 (183 to 416 residue... | 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 | Aspartyl/asparaginyl beta-hydroxylase | 1 |
Data from ChEMBL 36 via Core Engine