Compound Detail
CHEMBL4857247
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Basic Information
| ChEMBL ID | CHEMBL4857247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSDYMFLVMKNLNC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.9
MW (Da)
4.10
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 2 CHEMBL1938208 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human LSD2 using Bio-H3K4me2 (1 to 24 residues) as substrate incub... | 32931269 |
| Amine oxidase [flavin-containing] A | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells by ... | 32931269 |
| Amine oxidase [flavin-containing] B | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells by ... | 32931269 |
| Lysine-specific histone demethylase 1A | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of human LSD1 (172 to 852 residues) using Bio-H3K4me2 (1 to 24 residu... | 32931269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32931269 | 10.1021/acs.jmedchem.0c00919 | Lysine-specific histone demethylase 1A | 1 |
| 32931269 | 10.1021/acs.jmedchem.0c00919 | Amine oxidase [flavin-containing] A | 1 |
| 32931269 | 10.1021/acs.jmedchem.0c00919 | Amine oxidase [flavin-containing] B | 1 |
| 32931269 | 10.1021/acs.jmedchem.0c00919 | Lysine-specific histone demethylase 2 | 1 |
Data from ChEMBL 36 via Core Engine