Compound Detail
CHEMBL2382428
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 | CHEMBL2382428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFCHBFYVTBLJSK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.37
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.95
Ki 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.95 | 7.95 | 11.2 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.14 | 6.14 | 725.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 6.1 | 6.1 | 801.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.66 | 5.66 | 2190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 11.2 | nM | 7.95 | Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect c... | 23631427 |
| Amine oxidase [flavin-containing] B | IC50 | = | 725.0 | nM | 6.14 | Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions ... | 23631427 |
| Adenosine receptor A2b | Ki | = | 801.0 | nM | 6.1 | Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expres... | 23631427 |
| Adenosine receptor A2a | Ki | = | 2190.0 | nM | 5.66 | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membr... | 23631427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23631427 | 10.1021/jm400336x | Amine oxidase [flavin-containing] B | 2 |
| 23631427 | 10.1021/jm400336x | Adenosine receptor A2a | 2 |
| 23631427 | 10.1021/jm400336x | Adenosine receptor A1 | 2 |
| 23631427 | 10.1021/jm400336x | Unchecked | 1 |
| 23631427 | 10.1021/jm400336x | Adenosine receptor A3 | 1 |
| 23631427 | 10.1021/jm400336x | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine