Compound Detail
CHEMBL341071
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 | CHEMBL341071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STADVKHJCBJICA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
2.00
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.89 | 6.225 | 130.0 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 4.13 | 4.1267 | 74131.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 130.0 | nM | 6.89 | Inhibitory concentration against Monoamine oxidase B was measured | 12467619 |
| Amine oxidase [flavin-containing] B | IC50 | = | 2754.23 | nM | 5.56 | Inhibition of human supersomes MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 74400.0 | nM | 4.13 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 74131.02 | nM | 4.13 | Inhibition of rat brain MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 75857.76 | nM | 4.12 | Inhibitory activity against Monoamine oxidase B from rat brain mitochondria | 9748356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748356 | 10.1021/jm981005y | No relevant target | 3 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 2 |
| 17034132 | 10.1021/jm060441e | Amine oxidase [flavin-containing] B | 2 |
| 12467619 | 10.1016/s0960-894x(02)00838-7 | Amine oxidase [flavin-containing] B | 1 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
| 9748356 | 10.1021/jm981005y | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine