Compound Detail
CHEMBL3651115
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Basic Information
| ChEMBL ID | CHEMBL3651115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEAJEIYGQROVCF-LYKKTTPLSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.74
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.89 | 4.89 | 13000.0 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.45 | 4.45 | 35500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 250.0 | nM | 6.6 | Amplex Red Peroxide/Peroxidase-Coupled Assay: The compounds of the invention can... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 13000.0 | nM | 4.89 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 13000.0 | nM | 4.89 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 35500.0 | nM | 4.45 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 35500.0 | nM | 4.45 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
Data from ChEMBL 36 via Core Engine