Compound Detail
CHEMBL4177110
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Basic Information
| ChEMBL ID | CHEMBL4177110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQRCIHQOVXTEAI-XDHOZWIPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
2.09
ALogP
5
HBA
2
HBD
99.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.18 | 5.18 | 6670.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.15 | 5.15 | 7140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 6670.0 | nM | 5.18 | Inhibition of MAO-A in rat liver mitochondria using p-tyramine as substrate prei... | 29126721 |
| Amine oxidase [flavin-containing] B | IC50 | = | 7140.0 | nM | 5.15 | Inhibition of MAO-B in rat liver mitochondria using p-tyramine as substrate prei... | 29126721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29126721 | 10.1016/j.ejmech.2017.10.036 | Amine oxidase [flavin-containing] A | 1 |
| 29126721 | 10.1016/j.ejmech.2017.10.036 | Unchecked | 1 |
| 29126721 | 10.1016/j.ejmech.2017.10.036 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine