Compound Detail
CHEMBL4740697
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Basic Information
| ChEMBL ID | CHEMBL4740697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXBUYALKJGBACG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
213.3
MW (Da)
3.92
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.6 | 4.6 | 24900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 24900.0 | nM | 4.6 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 34915314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33065375 | 10.1016/j.ejmech.2020.112842 | HT-1080 | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] A | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine