Compound Detail
CHEMBL5279996
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Basic Information
| ChEMBL ID | CHEMBL5279996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IADUNOLUKPYSPN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
2.52
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 40.0 | nM | 7.4 | Inhibition of MAO-A (unknown origin) | 33528252 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of DYRK1A (unknown origin) | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine