Compound Detail
CHEMBL4083895
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Basic Information
| ChEMBL ID | CHEMBL4083895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEXCSASHEQONSV-DTWKUNHWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
169.2
MW (Da)
1.72
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of recombinant human His-tagged LSD1 expressed in Escherichia coli BL... | 28390942 |
| THP-1 | IC50 | = | 7000.0 | nM | 5.16 | Antiproliferative activity against human THP1 cells after 72 hrs by CellTitre-Gl... | 28390942 |
| MV4-11 | IC50 | = | 8200.0 | nM | 5.09 | Antiproliferative activity against human MV411 cells after 72 hrs by CellTitre-G... | 28390942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28390942 | 10.1016/j.bmcl.2017.03.081 | MV4-11 | 1 |
| 28390942 | 10.1016/j.bmcl.2017.03.081 | Lysine-specific histone demethylase 1A | 1 |
| 28390942 | 10.1016/j.bmcl.2017.03.081 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine