Compound Detail
CHEMBL3774408
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 | CHEMBL3774408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJDVTQJBSGZOIV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.21
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.8 | 6.0 | 158.5 | 2 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 158.49 | nM | 6.8 | Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed... | 26771107 |
| Lysine-specific demethylase 6B | IC50 | = | 630.96 | nM | 6.2 | Inhibition of human KDM6B catalytic domain using H3(20 to 36 residues)K27Me3 pep... | 26771107 |
| Lysine-specific demethylase 4C | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of full length human HALO-tagged KDM4C expressed in human U2OS cells ... | 26771107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26771107 | 10.1021/acs.jmedchem.5b01537 | Lysine-specific demethylase 4C | 2 |
| 26771107 | 10.1021/acs.jmedchem.5b01537 | Lysine-specific demethylase 6B | 1 |
Data from ChEMBL 36 via Core Engine