Compound Detail
CHEMBL3682535
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Basic Information
| ChEMBL ID | CHEMBL3682535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGRCPUUJHIIGBX-FYJGNVAPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
3.04
ALogP
5
HBA
2
HBD
74.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.29 | 6.29 | 519.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 519.0 | nM | 6.29 | Inhibitor Screening Assay: The primary assay for compound inhibitory activity wa... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 519.0 | nM | 6.29 | LSD1 Histone Demethylase Assay: The primary assay for compound inhibitory activi... | - |
Data from ChEMBL 36 via Core Engine