Compound Detail
CHEMBL3651096
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Basic Information
| ChEMBL ID | CHEMBL3651096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSQZMPFIRMYBX-LYKKTTPLSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.04
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.85 | 4.85 | 14000.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.54 | 4.54 | 29000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 700.0 | nM | 6.16 | Amplex Red Peroxide/Peroxidase-Coupled Assay: The compounds of the invention can... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 14000.0 | nM | 4.85 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 14000.0 | nM | 4.85 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 29000.0 | nM | 4.54 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 29000.0 | nM | 4.54 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
Data from ChEMBL 36 via Core Engine