Compound Detail
CHEMBL2236844
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Basic Information
| ChEMBL ID | CHEMBL2236844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSXLQEAUXLJRSQ-FMIVXFBMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.60
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.38 | 6.38 | 419.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 419.0 | nM | 6.38 | Inhibition of recombinant human MAOB using benzylamine as substrate after 30 min... | 26337020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9549-9 | HT-29 | 1 |
| - | 10.1007/s00044-011-9549-9 | SGC-7901 | 1 |
| 26337020 | 10.1016/j.bmc.2015.08.012 | Amine oxidase [flavin-containing] A | 1 |
| 26337020 | 10.1016/j.bmc.2015.08.012 | Amine oxidase [flavin-containing] B | 1 |
| 26337020 | 10.1016/j.bmc.2015.08.012 | Unchecked | 1 |
| 35278752 | 10.1016/j.ejmech.2022.114244 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine