Compound Detail
CHEMBL5825993
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N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc([C@H]3CC3NC3CCC(N)CC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5825993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHRMTBMFKWLVQR-XYBMCTARSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.74
ALogP
5
HBA
3
HBD
108.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.21 | 7.21 | 62.0 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 62.0 | nM | 7.21 | LSD1 Assays : Briefly, a fixed amount of LSD1 was incubated on ice for 15 minute... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 62.0 | nM | 7.21 | Biological Assays-Inhibition of LSD1: Briefly, a fixed amount of LSD1 was incuba... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 100000.0 | nM | 4.0 | Monoamine Oxidase Assays : Briefly, a fixed amount of MAO (0.25 μg for MAO-A and... | - |
Data from ChEMBL 36 via Core Engine