Compound Detail
CHEMBL2028089
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Basic Information
| ChEMBL ID | CHEMBL2028089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKRHSNRYJUZWNK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL276375 |
| Active Moiety | CHEMBL276375 |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
187.3
MW (Da)
2.85
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2095196 | IC50 | 5.64 | 4.75 | 2300.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | IC50 | = | 2300.0 | nM | 5.64 | In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by ... | 6864731 |
| Monoamine oxidase | IC50 | = | 17000.0 | nM | 4.77 | In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by... | 6864731 |
| Monoamine oxidase | IC50 | = | 50000.0 | nM | 4.3 | In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by ... | 6864731 |
| Monoamine oxidase | IC50 | = | 51000.0 | nM | 4.29 | 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 | 10 |
| 3397993 | 10.1021/jm00403a012 | Amine oxidase [flavin-containing] B | 4 |
| 6864731 | 10.1021/jm00361a017 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine