Compound Detail
CHEMBL209413
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 | CHEMBL209413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWEQEBUJVMCEEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.3
MW (Da)
4.38
ALogP
4
HBA
0
HBD
52.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 0.1 | nM | 10.0 | Inhibition of MAO-B in baboon liver mitochondria | 16759116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759116 | 10.1021/jm051091j | Amine oxidase [flavin-containing] A | 3 |
| 22018876 | 10.1016/j.ejmech.2011.09.042 | Amine oxidase [flavin-containing] A | 1 |
| 22018876 | 10.1016/j.ejmech.2011.09.042 | Amine oxidase [flavin-containing] B | 1 |
| 22018876 | 10.1016/j.ejmech.2011.09.042 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 22018876 | 10.1016/j.ejmech.2011.09.042 | Tryptophan 2,3-dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine