Compound Detail
CHEMBL4166776
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Basic Information
| ChEMBL ID | CHEMBL4166776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYJKOARGQYTLCZ-FUQNERGOSA-N |
| Parent Compound | CHEMBL4300279 |
| Active Moiety | CHEMBL4300279 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.95
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 880.0 | nM | 6.06 | Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 resid... | 29031059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29031059 | 10.1016/j.ejmech.2017.09.073 | Amine oxidase [flavin-containing] A | 1 |
| 29031059 | 10.1016/j.ejmech.2017.09.073 | Lysine-specific histone demethylase 1A | 1 |
| 29031059 | 10.1016/j.ejmech.2017.09.073 | Amine oxidase [flavin-containing] B | 1 |
| 29031059 | 10.1016/j.ejmech.2017.09.073 | Lysine-specific histone demethylase 2 | 1 |
Data from ChEMBL 36 via Core Engine