Compound Detail
CHEMBL2382429
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Basic Information
| ChEMBL ID | CHEMBL2382429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYLRLQKNGUWTPT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
3.99
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 2.09 | nM | 8.68 | Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect c... | 23631427 |
| Amine oxidase [flavin-containing] B | IC50 | = | 64.0 | nM | 7.19 | Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions ... | 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