Compound Detail
CHEMBL5781882
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Basic Information
| ChEMBL ID | CHEMBL5781882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBTIXCLUYQDMRA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.04
ALogP
5
HBA
3
HBD
73.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4.0 | nM | 8.4 | TR-FRET Assay for LSD1: LSD1 enzyme was produced in house. Tranylcypromine (TCP)... | - |
| Histone deacetylase 6 | IC50 | = | 51.0 | nM | 7.29 | Histone Deacetylase Assay : Histone deacetylase assay was done as per manufactur... | - |
Data from ChEMBL 36 via Core Engine