Compound Detail
CHEMBL1795974
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Basic Information
| ChEMBL ID | CHEMBL1795974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQXNVLZRIWWINX-OULXEKPRSA-N |
| Parent Compound | CHEMBL255520 |
| Active Moiety | CHEMBL255520 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
212.1
MW (Da)
2.26
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | Ki | = | 3700.0 | nM | 5.43 | Inhibition of human recombinant His-tagged full length LSD1 expressed in Escheri... | 21382717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21382717 | 10.1016/j.bmc.2011.02.017 | LNCaP | 2 |
| 21382717 | 10.1016/j.bmc.2011.02.017 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine