Compound Detail
CHEMBL5181753
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Basic Information
| ChEMBL ID | CHEMBL5181753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJYWAQNMQLIZQD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
446.0
MW (Da)
3.54
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 2 CHEMBL1938208 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 4.54 | 4.54 | 28810.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.39 | 4.39 | 40870.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.13 | 4.13 | 73920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 2 | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of recombinant human full length LSD2 using biotinylated H3K4Me2 pept... | 35200034 |
| Lysine-specific histone demethylase 1A | IC50 | = | 28810.0 | nM | 4.54 | Inhibition of N-terminal His/GST-tagged human LSD1 (172 to 852 residues) express... | 35200034 |
| Amine oxidase [flavin-containing] B | IC50 | = | 40870.0 | nM | 4.39 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI inse... | 35200034 |
| Amine oxidase [flavin-containing] A | IC50 | = | 73920.0 | nM | 4.13 | Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI inse... | 35200034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35200034 | 10.1021/acs.jmedchem.1c02156 | Lysine-specific histone demethylase 1A | 1 |
| 35200034 | 10.1021/acs.jmedchem.1c02156 | Lysine-specific histone demethylase 2 | 1 |
| 35200034 | 10.1021/acs.jmedchem.1c02156 | Amine oxidase [flavin-containing] A | 1 |
| 35200034 | 10.1021/acs.jmedchem.1c02156 | Amine oxidase [flavin-containing] B | 1 |
| 35200034 | 10.1021/acs.jmedchem.1c02156 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine