Compound Detail
CHEMBL17081
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 | CHEMBL17081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMFGLWLVJFBXKE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.67
ALogP
6
HBA
0
HBD
64.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibitory activity on rat brain MAO-B. | 8487255 |
| Amine oxidase [flavin-containing] A | IC50 | = | 10000.0 | nM | 5.0 | In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A) | 8487255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487255 | 10.1021/jm00061a006 | Amine oxidase [flavin-containing] A | 1 |
| 8487255 | 10.1021/jm00061a006 | Amine oxidase [flavin-containing] B | 1 |
| 8487255 | 10.1021/jm00061a006 | Monoamine oxidase | 1 |
Data from ChEMBL 36 via Core Engine