Compound Detail
CHEMBL4448235
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Basic Information
| ChEMBL ID | CHEMBL4448235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIYCPAVXJVWHRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
0.81
ALogP
3
HBA
4
HBD
103.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human N-terminal GST-tagged LSD1 isoform2 (158 to end residues) ex... | 30611617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30611617 | 10.1016/j.bmcl.2018.12.067 | Lysine-specific histone demethylase 1A | 5 |
| 30611617 | 10.1016/j.bmcl.2018.12.067 | Unchecked | 2 |
| 30611617 | 10.1016/j.bmcl.2018.12.067 | SW-620 | 2 |
| 30611617 | 10.1016/j.bmcl.2018.12.067 | HCT-8 | 2 |
| 30611617 | 10.1016/j.bmcl.2018.12.067 | Amine oxidase [flavin-containing] A | 1 |
| 30611617 | 10.1016/j.bmcl.2018.12.067 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine