Compound Detail
CHEMBL18978
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Basic Information
| ChEMBL ID | CHEMBL18978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMWFBKVHLXWFOF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
3.18
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 7.62 | 7.37 | 24.0 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.96 | 5.5067 | 1100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 15.85 | nM | 7.8 | Inhibition of human supersomes MAOB | 17034132 |
| Amine oxidase [flavin-containing] A | IC50 | = | 24.0 | nM | 7.62 | In vitro inhibitory against monoamine oxidase A (MAO-A) in rat brain homogenate. | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 75.86 | nM | 7.12 | Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10% | 11123983 |
| Amine oxidase [flavin-containing] B | IC50 | = | 1100.0 | nM | 5.96 | In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain ho... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 5248.07 | nM | 5.28 | Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% | 11123983 |
| Amine oxidase [flavin-containing] B | IC50 | = | 5248.07 | nM | 5.28 | Inhibition of rat brain MAOB | 17034132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034132 | 10.1021/jm060441e | Amine oxidase [flavin-containing] B | 2 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] B | 1 |
| 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