Compound Detail
CHEMBL3775977
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 | CHEMBL3775977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQDIBEJSOSAPGF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
3.58
ALogP
6
HBA
1
HBD
79.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Lysine-specific demethylase 4B CHEMBL3313832 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 5.17 | 5.17 | 6740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 30.0 | nM | 7.52 | Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincuba... | 26741168 |
| Lysine-specific demethylase 5C | IC50 | = | 67.0 | nM | 7.17 | Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincuba... | 26741168 |
| Lysine-specific demethylase 4B | IC50 | = | 86.0 | nM | 7.07 | Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) ... | 26741168 |
| Lysine-specific demethylase 4A | IC50 | = | 138.0 | nM | 6.86 | Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in... | 26741168 |
| Lysine-specific demethylase 2A | IC50 | = | 6740.0 | nM | 5.17 | Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) a... | 26741168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 4A | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 4B | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 5B | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 5C | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 2A | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine