Compound Detail
CHEMBL464732
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COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
Basic Information
| ChEMBL ID | CHEMBL464732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNOHXHDWGCMVCO-NTKSAMNMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
0.45
ALogP
10
HBA
5
HBD
176.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.53 | 5.53 | 2980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 2980.0 | nM | 5.53 | Inhibition of LSD1 (unknown origin) | 30552007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9214730 | 10.1021/np970035l | Trypsin | 2 |
| 30552007 | 10.1016/j.bmc.2018.12.013 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine