Compound Detail
CHEMBL5280652
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Basic Information
| ChEMBL ID | CHEMBL5280652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJVSGEXYQFXTKC-VMPITWQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.2
MW (Da)
3.76
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 700.0 | nM | 6.16 | Inhibition of LSD1 (unknown origin) | 34915312 |
| THP-1 | IC50 | = | 3390.0 | nM | 5.47 | Antiproliferative activity against human THP-1 cells assessed as cell growth inh... | 34915312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34915312 | 10.1016/j.ejmech.2021.114042 | Lysine-specific histone demethylase 1A | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | THP-1 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | A549 | 1 |
Data from ChEMBL 36 via Core Engine