Compound Detail
CHEMBL1797648
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C#CCN(C)CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL1797648 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CUAPMCICPOWORB-WSZVQARWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
2306.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 6.97 | 6.34 | 107.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | Ki | = | 107.0 | nM | 6.97 | Inhibition of LSD1 | 21955276 |
| Lysine-specific histone demethylase 1A | Ki | = | 107.0 | nM | 6.97 | Inhibition of recombinant LSD1 (178 to 831) (unknown origin) expressed in baculo... | 24883177 |
| Lysine-specific histone demethylase 1A | Ki | = | 8300.0 | nM | 5.08 | Irreversible inhibition of LSD1 | 21596573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21596573 | 10.1016/j.bmc.2011.01.046 | Lysine-specific histone demethylase 1A | 2 |
| 21955276 | 10.1021/jm201048w | Lysine-specific histone demethylase 1A | 2 |
| 22975593 | 10.1016/j.ejmech.2012.08.010 | Lysine-specific histone demethylase 1A | 1 |
| 24883177 | 10.1021/ml4002997 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine