Compound Detail
CHEMBL5191876
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5191876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJPVUNDSPJYEQJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
2.34
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.5 | 5.5 | 3140.0 | 1 |
| Lysine-specific histone demethylase 2 CHEMBL1938208 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 4.38 | 4.38 | 41570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 3140.0 | nM | 5.5 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI inse... | 35200034 |
| Lysine-specific histone demethylase 2 | IC50 | = | 4120.0 | nM | 5.38 | Inhibition of recombinant human full length LSD2 using biotinylated H3K4Me2 pept... | 35200034 |
| Lysine-specific histone demethylase 1A | IC50 | = | 41570.0 | nM | 4.38 | Inhibition of N-terminal His/GST-tagged human LSD1 (172 to 852 residues) express... | 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