Compound Detail
CHEMBL4647263
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Basic Information
| ChEMBL ID | CHEMBL4647263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNCMBXRFWBAYQO-PFYGFVOHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.04
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.51
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | EC50 | 6.51 | 6.51 | 312.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 28.0 | nM | 7.55 | Inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed ... | 32551003 |
| Lysine-specific histone demethylase 1A | EC50 | = | 312.0 | nM | 6.51 | Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expr... | 32551003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551003 | 10.1021/acsmedchemlett.0c00060 | Lysine-specific histone demethylase 1A | 2 |
Data from ChEMBL 36 via Core Engine