Compound Detail
CHEMBL3775735
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Basic Information
| ChEMBL ID | CHEMBL3775735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRULVYSBRWUVGR-YADHBBJMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
3.74
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.21 | 5.99 | 610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 610.0 | nM | 6.21 | Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852... | 26700437 |
| Lysine-specific histone demethylase 1A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of LSD1 (unknown origin) | 29247860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26700437 | 10.1021/acs.jmedchem.5b01323 | Lysine-specific histone demethylase 1A | 2 |
| 26700437 | 10.1021/acs.jmedchem.5b01323 | HeLa | 2 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | SJRH30 | 2 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Lysine-specific histone demethylase 1A | 2 |
| 29439916 | 10.1016/j.bmc.2018.01.031 | HCT-116 | 1 |
| 29439916 | 10.1016/j.bmc.2018.01.031 | PA-1 | 1 |
| 29439916 | 10.1016/j.bmc.2018.01.031 | F9 | 1 |
| 29439916 | 10.1016/j.bmc.2018.01.031 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine