Compound Detail
CHEMBL4204694
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CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4204694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFHQSNHGGSKSHQ-CEYJXWRUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1870.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Kd 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | Kd | 8.59 | 8.59 | 2.6 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 2.2 | nM | 8.66 | Inhibition of KDM4C (unknown origin) expressed in Escherichia coli using biotiny... | 29402611 |
| Lysine-specific demethylase 4A | Kd | = | 2.6 | nM | 8.59 | Binding affinity to biotinylated-KDM4A (unknown origin) at 300 nM by bio-layer i... | 29402611 |
| Lysine-specific demethylase 4A | IC50 | = | 6.0 | nM | 8.22 | Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotiny... | 29402611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29402611 | 10.1016/j.bmc.2018.01.013 | Lysine-specific demethylase 4A | 4 |
| 29402611 | 10.1016/j.bmc.2018.01.013 | HeLa | 2 |
| 29402611 | 10.1016/j.bmc.2018.01.013 | ADMET | 1 |
| 29402611 | 10.1016/j.bmc.2018.01.013 | Lysine-specific demethylase 4C | 1 |
Data from ChEMBL 36 via Core Engine