Compound Detail
CHEMBL4596515
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4596515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNKLJSLPSPDIEF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.42
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 51.0 | nM | 7.29 | Inhibition of KDM1A (unknown origin) | 35101649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35101649 | 10.1016/j.ejmech.2022.114143 | Lysine-specific histone demethylase 1A | 1 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Amine oxidase [flavin-containing] A | 1 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine