Compound Detail
CHEMBL3752995
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Basic Information
| ChEMBL ID | CHEMBL3752995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGTZEGZYMMNVOO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
2.82
ALogP
9
HBA
2
HBD
103.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 6B | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as subs... | 26776360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26776360 | 10.1016/j.bmcl.2016.01.006 | Lysine-specific demethylase 6B | 1 |
Data from ChEMBL 36 via Core Engine