Compound Detail
CHEMBL3319268
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Basic Information
| ChEMBL ID | CHEMBL3319268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKYNYBKCPRHQEA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.2
MW (Da)
4.73
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 9.64 | 9.64 | 0.2 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.17 | 5.17 | 6790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 0.227 | nM | 9.64 | Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect c... | 24955776 |
| Amine oxidase [flavin-containing] B | IC50 | = | 1.01 | nM | 9.0 | Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cel... | 24955776 |
| Amine oxidase [flavin-containing] A | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect c... | 24955776 |
| Amine oxidase [flavin-containing] A | IC50 | = | 6790.0 | nM | 5.17 | Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cel... | 24955776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24955776 | 10.1021/jm500729a | Amine oxidase [flavin-containing] B | 2 |
| 24955776 | 10.1021/jm500729a | Amine oxidase [flavin-containing] A | 2 |
| 24955776 | 10.1021/jm500729a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine