Compound Detail
CHEMBL3651585
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Basic Information
| ChEMBL ID | CHEMBL3651585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAMSXCOVJUUMCT-YADHBBJMSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
2.49
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.52
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.1 | 7.63 | 8.0 | 2 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 5.05 | 5.05 | 9000.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 4.96 | 4.96 | 11000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 8.0 | nM | 8.1 | Inhibition of N-terminal truncated recombinant human LSD1 (151 to 852 residues) ... | 30153955 |
| Lysine-specific histone demethylase 1A | Ki | = | 30.0 | nM | 7.52 | Biological Assay: Biological assay using monoamine oxidase or LSD1. | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 70.0 | nM | 7.16 | Inhibition of LSD1 (unknown origin) | 29247860 |
| Amine oxidase [flavin-containing] B | Ki | = | 9000.0 | nM | 5.05 | Biological Assay: Biological assay using monoamine oxidase or LSD1. | - |
| Amine oxidase [flavin-containing] B | Ki | = | 9000.0 | nM | 5.05 | Biological Assay: Biological assay using monoamine oxidase or LSD1. | - |
| Amine oxidase [flavin-containing] A | Ki | = | 11000.0 | nM | 4.96 | Biological Assay: Biological assay using monoamine oxidase or LSD1. | - |
| Amine oxidase [flavin-containing] A | Ki | = | 11000.0 | nM | 4.96 | Biological Assay: Biological assay using monoamine oxidase or LSD1. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5096127 | Schistosoma mansoni | 2 |
| 30153955 | 10.1016/j.bmc.2018.08.026 | NB-4 | 1 |
| 30153955 | 10.1016/j.bmc.2018.08.026 | Lysine-specific histone demethylase 1A | 1 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine