Compound Detail
CHEMBL608561
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Basic Information
| ChEMBL ID | CHEMBL608561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHQCGANOTXJOPB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.0
MW (Da)
5.45
ALogP
4
HBA
2
HBD
65.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Daoy CHEMBL612519 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 3.9 | nM | 8.41 | Inhibition of KDM1A (unknown origin) | 35101649 |
| Daoy | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human DaOY cells assessed as reduction in cel... | 35978701 |
| A-375 | IC50 | = | 130.0 | nM | 6.89 | Antiproliferative activity against human A375 cells assessed as reduction in cel... | 35978701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Lysine-specific histone demethylase 1A | 1 |
| 35978701 | 10.1021/acsmedchemlett.2c00249 | Daoy | 1 |
| 35978701 | 10.1021/acsmedchemlett.2c00249 | A-375 | 1 |
| 35978701 | 10.1021/acsmedchemlett.2c00249 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine