Compound Detail
CHEMBL18042
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Basic Information
| ChEMBL ID | CHEMBL18042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQKCLHCOFRYADD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.3
MW (Da)
5.01
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain ho... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 |
Data from ChEMBL 36 via Core Engine