Compound Detail
CHEMBL198810
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Basic Information
| ChEMBL ID | CHEMBL198810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFLKFZNIIQFQBS-FNCQTZNRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
4.41
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 600.0 | nM | 6.22 | Inhibition constant against human recombinant Monoamine oxidase-B | 16137882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137882 | 10.1016/j.bmcl.2005.07.043 | Amine oxidase [flavin-containing] B | 1 |
| 25915162 | 10.1021/jm501690r | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine