Compound Detail
CHEMBL3785491
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 | CHEMBL3785491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYKBXXGHEMXSBB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.97
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4B CHEMBL3313832 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4B | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in... | 26710088 |
| Lysine-specific demethylase 4B | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human KDM4B (1 to 500 residues) measured by antibody-based fluorom... | 35838529 |
| NON-PROTEIN TARGET | IC50 | = | 40.0 | nM | 7.4 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 26710088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26710088 | 10.1021/acs.jmedchem.5b01758 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4A | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| 35838529 | 10.1021/acs.jmedchem.2c00680 | Lysine-specific demethylase 4B | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | LNCaP | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5A | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4C | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4B | 1 |
Data from ChEMBL 36 via Core Engine