Compound Detail
CHEMBL4851339
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Basic Information
| ChEMBL ID | CHEMBL4851339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLRUDMCNKCTIBP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.45
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human LSD1 (172 to 852 residues) using Bio-H3K4me2 (1 to 24 residu... | 32931269 |
| Amine oxidase [flavin-containing] A | IC50 | = | 11700.0 | nM | 4.93 | Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells by ... | 32931269 |
| Amine oxidase [flavin-containing] B | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells by ... | 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 |
Data from ChEMBL 36 via Core Engine