Compound Detail
CHEMBL4280740
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Basic Information
| ChEMBL ID | CHEMBL4280740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDPKSXHDYDEAIW-CVEARBPZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
1.98
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.83 | 6.83 | 146.5 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.67 | 4.67 | 21600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 146.5 | nM | 6.83 | Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in ... | 29247860 |
| Amine oxidase [flavin-containing] A | IC50 | = | 21600.0 | nM | 4.67 | Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic ... | 29247860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Lysine-specific histone demethylase 1A | 2 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Unchecked | 2 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | SJRH30 | 2 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Amine oxidase [flavin-containing] A | 1 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Amine oxidase [flavin-containing] B | 1 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine