Compound Detail
CHEMBL8712
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Basic Information
| ChEMBL ID | CHEMBL8712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYKWNDZETHOUJQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
145.2
MW (Da)
1.81
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2095196 | IC50 | 6.62 | 5.88 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | IC50 | = | 240.0 | nM | 6.62 | In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by ... | 6864731 |
| Monoamine oxidase | IC50 | = | 7200.0 | nM | 5.14 | In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by... | 6864731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6864731 | 10.1021/jm00361a017 | Monoamine oxidase | 5 |
| 6864731 | 10.1021/jm00361a017 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine