Compound Detail
CHEMBL1411619
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Basic Information
| ChEMBL ID | CHEMBL1411619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJRFKKRMCGZIOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
2.00
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 15400.0 | nM | 4.81 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... | 21872365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21138273 | 10.1021/jm101104z | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 21138273 | 10.1021/jm101104z | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 25042254 | 10.1016/j.bmcl.2014.06.067 | K562 | 2 |
| 25042254 | 10.1016/j.bmcl.2014.06.067 | NON-PROTEIN TARGET | 2 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] B | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] A | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Unchecked | 1 |
| 25462220 | 10.1016/j.ejmech.2014.10.026 | Mycobacterium tuberculosis | 1 |
| 25042254 | 10.1016/j.bmcl.2014.06.067 | Histone deacetylase | 1 |
| 25042254 | 10.1016/j.bmcl.2014.06.067 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine