Compound Detail
CHEMBL4290866
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 | CHEMBL4290866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOCMNXRIFNSUHI-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.21
ALogP
5
HBA
2
HBD
97.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.0 | 6.63 | 100.0 | 2 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 7.0 | 6.63 | 100.0 | 2 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.0 | 5.63 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human C-terminal FLAG-tagged JARID1A (1 to 1090 residu... | - |
| Lysine-specific demethylase 5B | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human N-terminal His-FLAG tagged JARID1B (2 to 751 res... | - |
| Lysine-specific demethylase 5A | IC50 | = | 550.0 | nM | 6.26 | Jarid1A Assay: The enzymatic assay of Jarid1A activity is based upon Time Resolv... | - |
| Lysine-specific demethylase 5B | IC50 | = | 550.0 | nM | 6.26 | Jarid1B Assay: The ability of test compounds to inhibit the activity of Jarid1B ... | - |
| Lysine-specific demethylase 4C | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human N-terminal GST-tagged JMJD2C (2 to 372 residues)... | - |
| Lysine-specific demethylase 4C | IC50 | = | 5500.0 | nM | 5.26 | JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... | - |
Data from ChEMBL 36 via Core Engine