Compound Detail
CHEMBL2382434
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Basic Information
| ChEMBL ID | CHEMBL2382434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMBOZLGNPMVERZ-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.62
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.4
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.46 | 7.46 | 34.9 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 7.4 | 7.4 | 39.5 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.73 | 6.73 | 186.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.64 | 6.64 | 229.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.37 | 6.37 | 423.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 34.9 | nM | 7.46 | Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect c... | 23631427 |
| Adenosine receptor A2a | Ki | = | 39.5 | nM | 7.4 | Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed... | 23631427 |
| Amine oxidase [flavin-containing] B | IC50 | = | 186.0 | nM | 6.73 | Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions ... | 23631427 |
| Adenosine receptor A1 | Ki | = | 229.0 | nM | 6.64 | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membra... | 23631427 |
| Adenosine receptor A2a | Ki | = | 423.0 | nM | 6.37 | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membr... | 23631427 |
| Adenosine receptor A1 | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed ... | 23631427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 9 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 7 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5058564 | U2OS | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
Data from ChEMBL 36 via Core Engine