Compound Detail
CHEMBL575735
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Basic Information
| ChEMBL ID | CHEMBL575735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDHGGDOTYINHTB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1197537 |
| Active Moiety | CHEMBL1197537 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.01
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay | 19810674 |
| Amine oxidase [flavin-containing] A | IC50 | = | 91000.0 | nM | 4.04 | Inhibition of MAO-A from Wistar rat brain by radioenzymatic assay | 19810674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19810674 | 10.1021/jm9010127 | Amine oxidase [flavin-containing] B | 1 |
| 19810674 | 10.1021/jm9010127 | Unchecked | 1 |
| 19810674 | 10.1021/jm9010127 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine