Compound Detail
CHEMBL4857710
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Basic Information
| ChEMBL ID | CHEMBL4857710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFLJWNSQMDQJLS-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
5.00
ALogP
4
HBA
2
HBD
75.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.61 | 5.61 | 2450.0 | 1 |
| THLE-2 CHEMBL4296500 | IC50 | 5.41 | 5.41 | 3940.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.24 | 5.24 | 5720.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.17 | 5.17 | 6680.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.12 | 5.12 | 7550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 76.0 | nM | 7.12 | Inhibition of human recombinant LSD1 by horseradish peroxidase-coupled fluoromet... | 33945992 |
| NCI-H460 | IC50 | = | 1900.0 | nM | 5.72 | Antiproliferative activity against human NCI-H460 cells assessed as reduction in... | 33945992 |
| A549 | IC50 | = | 2450.0 | nM | 5.61 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 33945992 |
| THLE-2 | IC50 | = | 3940.0 | nM | 5.41 | Cytotoxicity against human THLE-2 cells assessed as reduction in cell viability ... | 33945992 |
| MCF7 | IC50 | = | 5720.0 | nM | 5.24 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 33945992 |
| THP-1 | IC50 | = | 6680.0 | nM | 5.17 | Antiproliferative activity against human THP-1 cells assessed as reduction in ce... | 33945992 |
| MGC-803 | IC50 | = | 7550.0 | nM | 5.12 | Antiproliferative activity against human MGC-803 cells assessed as reduction in ... | 33945992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33945992 | 10.1016/j.ejmech.2021.113501 | Lysine-specific histone demethylase 1A | 1 |
| 33945992 | 10.1016/j.ejmech.2021.113501 | MCF7 | 1 |
| 33945992 | 10.1016/j.ejmech.2021.113501 | MGC-803 | 1 |
| 33945992 | 10.1016/j.ejmech.2021.113501 | NCI-H460 | 1 |
| 33945992 | 10.1016/j.ejmech.2021.113501 | A549 | 1 |
| 33945992 | 10.1016/j.ejmech.2021.113501 | THP-1 | 1 |
| 33945992 | 10.1016/j.ejmech.2021.113501 | THLE-2 | 1 |
Data from ChEMBL 36 via Core Engine