Compound Detail
CHEMBL3740665
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 | CHEMBL3740665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGVWFAWTKGAFPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.88
ALogP
4
HBA
0
HBD
59.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.16 | 7.16 | 69.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 69.51 | nM | 7.16 | Inhibition of human MAO-B using p-tyramine as substrate assessed as production o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00124B | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1039/C5MD00124B | Amine oxidase [flavin-containing] B | 1 |
| - | 10.1039/C5MD00124B | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine