Compound Detail
CHEMBL125520
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Basic Information
| ChEMBL ID | CHEMBL125520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWTWKPBBWASJFY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.3
MW (Da)
4.38
ALogP
4
HBA
0
HBD
52.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 38.0 | nM | 7.42 | Inhibition of MAO-B in baboon liver mitochondria | 16759116 |
| Amine oxidase [flavin-containing] B | IC50 | = | 1310.0 | nM | 5.88 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
| Amine oxidase [flavin-containing] A | IC50 | = | 5000.0 | nM | 5.3 | Ability to inhibit Monoamine oxidase A enzyme | 7562919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759116 | 10.1021/jm051091j | Amine oxidase [flavin-containing] A | 3 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 1 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine