Compound Detail
CHEMBL4289408
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Basic Information
| ChEMBL ID | CHEMBL4289408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTYPTMOHHKHCRO-CVEARBPZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
257.8
MW (Da)
3.99
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.11 | 7.065 | 77.5 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.69 | 6.69 | 205.5 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 77.5 | nM | 7.11 | Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in ... | 29247860 |
| Lysine-specific histone demethylase 1A | IC50 | = | 95.6 | nM | 7.02 | Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in ... | 29247860 |
| Amine oxidase [flavin-containing] A | IC50 | = | 205.5 | nM | 6.69 | Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic ... | 29247860 |
| Amine oxidase [flavin-containing] B | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of MAO-B (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 | 6 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Amine oxidase [flavin-containing] A | 2 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Amine oxidase [flavin-containing] B | 2 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine