Compound Detail
CHEMBL4129980
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Basic Information
| ChEMBL ID | CHEMBL4129980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEHCTOBMPNYETK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4300843 |
| Active Moiety | CHEMBL4300843 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.50
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 7A CHEMBL2163177 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 7A | IC50 | = | 76000.0 | nM | 4.12 | 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 |
| 29764755 | 10.1016/j.bmc.2018.03.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine