Compound Detail
CHEMBL4875015
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4875015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYFPAGOQZFSLFH-MCJVGQIASA-N |
| Parent Compound | CHEMBL5029010 |
| Active Moiety | CHEMBL5029010 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.53
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LSD1/CoREST complex CHEMBL3137262 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LSD1/CoREST complex | IC50 | = | 2.1 | nM | 8.68 | Inhibition of N-terminal His-SUMO tagged human LSD1 (172 to 852 residues)/His-ta... | 32931269 |
| Lysine-specific histone demethylase 1A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of N-terminal His-SUMO tagged human LSD1 (172 to 852 residues) expres... | 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 | LSD1/CoREST complex | 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 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine