Compound Detail
CHEMBL4747062
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Basic Information
| ChEMBL ID | CHEMBL4747062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMIRULWTOGYHIG-RPBOFIJWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
3.94
ALogP
4
HBA
2
HBD
55.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.32
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM1.S CHEMBL4296471 | EC50 | 7.32 | 7.32 | 48.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.33 | 6.33 | 465.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM1.S | EC50 | = | 48.0 | nM | 7.32 | Antiproliferative activity against human MM1.S cells assessed as reduction in ce... | 33359604 |
| Lysine-specific histone demethylase 1A | IC50 | = | 465.0 | nM | 6.33 | Inhibition of LSD1 (unknown origin) | 33359604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33359604 | 10.1016/j.bmcl.2020.127763 | ADMET | 2 |
| 33359604 | 10.1016/j.bmcl.2020.127763 | Lysine-specific histone demethylase 1A | 1 |
| 33359604 | 10.1016/j.bmcl.2020.127763 | Histone deacetylase 6 | 1 |
| 33359604 | 10.1016/j.bmcl.2020.127763 | Histone deacetylase 1 | 1 |
| 33359604 | 10.1016/j.bmcl.2020.127763 | MM1.S | 1 |
Data from ChEMBL 36 via Core Engine