Compound Detail
CHEMBL2178431
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Basic Information
| ChEMBL ID | CHEMBL2178431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOFXZGQWDCHCFA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
3.15
ALogP
5
HBA
3
HBD
92.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 620.0 | nM | 6.21 | Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 3... | 23153282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23153282 | 10.1021/jm301014y | Rattus norvegicus | 1 |
| 23153282 | 10.1021/jm301014y | Unchecked | 1 |
| 23153282 | 10.1021/jm301014y | Amine oxidase [flavin-containing] B | 1 |
| 23153282 | 10.1021/jm301014y | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine