Compound Detail
CHEMBL4126235
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CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4126235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYHAVUUEXHSCQE-PQGNQBTRSA-O |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
2297.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone lysine demethylase PHF8 CHEMBL1938212 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Lysine-specific demethylase 7A CHEMBL2163177 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Lysine-specific demethylase PHF2 CHEMBL4295672 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone lysine demethylase PHF8 | IC50 | = | 1700.0 | nM | 5.77 | Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide fro... | 29764755 |
| Lysine-specific demethylase 7A | IC50 | = | 1900.0 | nM | 5.72 | Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide fro... | 29764755 |
| Lysine-specific demethylase PHF2 | IC50 | = | 2700.0 | nM | 5.57 | Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide fro... | 29764755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29764755 | 10.1016/j.bmc.2018.03.030 | Lysine-specific demethylase 5A | 1 |
| 29764755 | 10.1016/j.bmc.2018.03.030 | Lysine-specific demethylase 7A | 1 |
| 29764755 | 10.1016/j.bmc.2018.03.030 | Histone lysine demethylase PHF8 | 1 |
| 29764755 | 10.1016/j.bmc.2018.03.030 | Lysine-specific demethylase PHF2 | 1 |
Data from ChEMBL 36 via Core Engine