Compound Detail
CHEMBL4860694
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Basic Information
| ChEMBL ID | CHEMBL4860694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHZPABLWMIVXCR-QFBILLFUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.20
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.77 | 7.77 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 17.0 | nM | 7.77 | Inhibition of LSD1 (unknown origin) | 33775841 |
| Lysine-specific histone demethylase 1A | IC50 | = | 17.0 | nM | 7.77 | Inhibition of LSD1 (unknown origin) | 34915312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33775841 | 10.1016/j.bmcl.2021.127993 | Lysine-specific histone demethylase 1A | 1 |
| 33775841 | 10.1016/j.bmcl.2021.127993 | Amine oxidase [flavin-containing] A | 1 |
| 33775841 | 10.1016/j.bmcl.2021.127993 | Amine oxidase [flavin-containing] B | 1 |
| 33775841 | 10.1016/j.bmcl.2021.127993 | PC-3 | 1 |
| 33775841 | 10.1016/j.bmcl.2021.127993 | MCF7 | 1 |
| 33775841 | 10.1016/j.bmcl.2021.127993 | MGC-803 | 1 |
| 33775841 | 10.1016/j.bmcl.2021.127993 | SGC-7901 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine