Compound Detail
CHEMBL1814066
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 | CHEMBL1814066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JABMQYLMUUGRPZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.46
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Ki 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 160.0 | nM | 6.8 | Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hy... | 21696156 |
| Amine oxidase [flavin-containing] A | IC50 | = | 430.0 | nM | 6.37 | Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hy... | 21696156 |
| Adenosine receptor A2b | Ki | = | 1350.0 | nM | 5.87 | Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 ... | 22703703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22703703 | 10.1016/j.ejmech.2012.05.033 | Adenosine receptor A2b | 2 |
| 21696156 | 10.1021/jm2004267 | Amine oxidase [flavin-containing] B | 1 |
| 21696156 | 10.1021/jm2004267 | Amine oxidase [flavin-containing] A | 1 |
| 21696156 | 10.1021/jm2004267 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine