Compound Detail
CHEMBL2178433
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2178433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMIWQZTVROPWJW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
4.93
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 6.24 | 6.24 | 571.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 571.0 | nM | 6.24 | Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 3... | 23153282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23153282 | 10.1021/jm301014y | Rattus norvegicus | 1 |
| 23153282 | 10.1021/jm301014y | Unchecked | 1 |
| 23153282 | 10.1021/jm301014y | Amine oxidase [flavin-containing] B | 1 |
| 23153282 | 10.1021/jm301014y | Amine oxidase [flavin-containing] A | 1 |
| 32971428 | 10.1016/j.ejmech.2020.112832 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine