Compound Detail
CHEMBL5574276
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Basic Information
| ChEMBL ID | CHEMBL5574276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWXFHZPVTDWPGR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.36
ALogP
6
HBA
0
HBD
86.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.22 | 5.22 | 6016.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.2 | 4.2 | 63090.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.19 | 4.19 | 64440.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.11 | 4.11 | 78110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 3.4 | nM | 8.47 | Inhibition of human recombinant MAO-B using tyramine as substrate incubated for ... | 37992521 |
| MCF7 | IC50 | = | 6016.0 | nM | 5.22 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 37992521 |
| HepG2 | IC50 | = | 63090.0 | nM | 4.2 | Antiproliferative activity against human HepG2 cells assessed as reduction in ce... | 37992521 |
| Amine oxidase [flavin-containing] A | IC50 | = | 64440.0 | nM | 4.19 | Inhibition of human recombinant MAO-A using tyramine as substrate incubated for ... | 37992521 |
| HCT-116 | IC50 | = | 78110.0 | nM | 4.11 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 37992521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37992521 | 10.1016/j.ejmech.2023.115956 | SH-SY5Y | 3 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | Amine oxidase [flavin-containing] B | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | Amine oxidase [flavin-containing] A | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | Unchecked | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | No relevant target | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | MCF7 | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | HCT-116 | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | HepG2 | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | VSMC | 1 |
| 37992521 | 10.1016/j.ejmech.2023.115956 | MGC-803 | 1 |
Data from ChEMBL 36 via Core Engine