Compound Detail
CHEMBL4167042
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Basic Information
| ChEMBL ID | CHEMBL4167042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUGOTIGSHVDDLC-MFKUBSTISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.28
ALogP
6
HBA
2
HBD
108.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 240.0 | nM | 6.62 | Inhibition of MAO-A in rat liver mitochondria using p-tyramine as substrate prei... | 29126721 |
| Amine oxidase [flavin-containing] B | IC50 | = | 290.0 | nM | 6.54 | Inhibition of MAO-B in rat liver mitochondria using p-tyramine as substrate prei... | 29126721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29126721 | 10.1016/j.ejmech.2017.10.036 | Amine oxidase [flavin-containing] B | 1 |
| 29126721 | 10.1016/j.ejmech.2017.10.036 | Amine oxidase [flavin-containing] A | 1 |
| 29126721 | 10.1016/j.ejmech.2017.10.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine