Compound Detail
CHEMBL3651123
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Basic Information
| ChEMBL ID | CHEMBL3651123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTXWEMJMARARTN-DJNXLDHESA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
3.27
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.62 | 5.62 | 2400.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.6 | 5.6 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 300.0 | nM | 6.52 | Amplex Red Peroxide/Peroxidase-Coupled Assay: The compounds of the invention can... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 2400.0 | nM | 5.62 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 2400.0 | nM | 5.62 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 2500.0 | nM | 5.6 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 2500.0 | nM | 5.6 | Fluorescent-Based (Inhibitor) Screening Assay: Human recombinant monoamine oxida... | - |
Data from ChEMBL 36 via Core Engine