Compound Detail
CHEMBL1830795
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 | CHEMBL1830795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYMAEQZQRVDKQZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
222.6
MW (Da)
2.65
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.75 | 4.75 | 17720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 17720.0 | nM | 4.75 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... | 21872365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] B | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] A | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Unchecked | 1 |
| 25462220 | 10.1016/j.ejmech.2014.10.026 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine