Compound Detail
CHEMBL4171896
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Basic Information
| ChEMBL ID | CHEMBL4171896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFQQZGBDJKZUTB-CLUYDPBTSA-N |
| Parent Compound | CHEMBL4302545 |
| Active Moiety | CHEMBL4302545 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.52
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.1 | 4.1 | 79700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 490.0 | nM | 6.31 | Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 resid... | 29031059 |
| Amine oxidase [flavin-containing] A | IC50 | = | 79700.0 | nM | 4.1 | Inhibition of human recombinant MAO-A expressed in baculovirus infected insect c... | 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