Compound Detail
CHEMBL4788415
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Basic Information
| ChEMBL ID | CHEMBL4788415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALHBJBCQLJZYON-TUVASFSCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
2.40
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 | 76.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 76.25 | nM | 7.12 | Inhibition of human recombinant LSD1 using fluorogenic ADHP based substrate prei... | 32229389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32229389 | 10.1016/j.ejmech.2020.112243 | Lysine-specific histone demethylase 1A | 1 |
| 32229389 | 10.1016/j.ejmech.2020.112243 | A549 | 1 |
| 32229389 | 10.1016/j.ejmech.2020.112243 | MGC-803 | 1 |
| 32229389 | 10.1016/j.ejmech.2020.112243 | MCF7 | 1 |
| 32229389 | 10.1016/j.ejmech.2020.112243 | PC-3 | 1 |
| 32229389 | 10.1016/j.ejmech.2020.112243 | THP-1 | 1 |
| 32229389 | 10.1016/j.ejmech.2020.112243 | NB-4 | 1 |
Data from ChEMBL 36 via Core Engine