Compound Detail
CHEMBL4113453
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Basic Information
| ChEMBL ID | CHEMBL4113453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDWANQHRPJNECZ-TUUUFIMRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.62
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.17 | 7.17 | 68.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 68.0 | nM | 7.17 | Biological Assay: The compounds of the invention can be tested for their ability... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 68.0 | nM | 7.17 | LSD1 Assays : Briefly, a fixed amount of LSD1 was incubated on ice for 15 minute... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 68.0 | nM | 7.17 | Biological Assays-Inhibition of LSD1: Briefly, a fixed amount of LSD1 was incuba... | - |
Data from ChEMBL 36 via Core Engine