Compound Detail
CHEMBL4100724
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Basic Information
| ChEMBL ID | CHEMBL4100724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVKMULGEKPFYLQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
1.86
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.27 | 5.27 | 5370.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 5370.0 | nM | 5.27 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 28456030 |
| Amine oxidase [flavin-containing] B | IC50 | = | 23200.0 | nM | 4.63 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 28456030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28456030 | 10.1016/j.ejmech.2017.04.055 | Amine oxidase [flavin-containing] A | 3 |
| 28456030 | 10.1016/j.ejmech.2017.04.055 | Amine oxidase [flavin-containing] B | 3 |
| 28456030 | 10.1016/j.ejmech.2017.04.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine