Compound Detail
CHEMBL3415790
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Basic Information
| ChEMBL ID | CHEMBL3415790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKKQKIPPYBIZCS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3546841 |
| Active Moiety | CHEMBL3546841 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
187.3
MW (Da)
2.82
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytrypt... | 25627172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25627172 | 10.1021/jm501722s | Amine oxidase [flavin-containing] A | 1 |
| 25627172 | 10.1021/jm501722s | Amine oxidase [flavin-containing] B | 1 |
| 25627172 | 10.1021/jm501722s | NON-PROTEIN TARGET | 1 |
| 25627172 | 10.1021/jm501722s | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine