Compound Detail
CHEMBL144898
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Basic Information
| ChEMBL ID | CHEMBL144898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUQHGGFJJGKEJU-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.94
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.64 | 6.635 | 230.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.44 | 5.44 | 3600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human recombinant monoamine oxidase-B assessed as kynuramine conve... | 23374869 |
| Amine oxidase [flavin-containing] B | IC50 | = | 230.0 | nM | 6.64 | Inhibition of rat brain monoamine oxidase-B | 23374869 |
| Amine oxidase [flavin-containing] B | IC50 | = | 234.42 | nM | 6.63 | Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% | 11123983 |
| Amine oxidase [flavin-containing] A | IC50 | = | 1190.0 | nM | 5.92 | Inhibition of human recombinant monoamine oxidase-A assessed as kynuramine conve... | 23374869 |
| Amine oxidase [flavin-containing] A | IC50 | = | 3630.78 | nM | 5.44 | Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10% | 11123983 |
| Amine oxidase [flavin-containing] A | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of rat brain monoamine oxidase-A | 23374869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23374869 | 10.1016/j.bmcl.2013.01.003 | Amine oxidase [flavin-containing] A | 3 |
| 23374869 | 10.1016/j.bmcl.2013.01.003 | Unchecked | 3 |
| 23374869 | 10.1016/j.bmcl.2013.01.003 | Amine oxidase [flavin-containing] B | 3 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] A | 1 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine