Compound Detail
CHEMBL1806765
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1806765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZLOOMJZVZHPSC-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
1.18
ALogP
7
HBA
0
HBD
71.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Ki 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.42 | 6.42 | 381.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 5.28 | 5.28 | 5310.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.82 | 4.82 | 15170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 280.0 | nM | 6.55 | Inhibition of recombinant human MAOB expressed in baculovirus infected insect ce... | 21621312 |
| Amine oxidase [flavin-containing] B | IC50 | = | 381.0 | nM | 6.42 | Inhibition of recombinant human MAOB expressed in baculovirus infected insect ce... | 21621312 |
| Amine oxidase [flavin-containing] A | Ki | = | 5310.0 | nM | 5.28 | Inhibition of recombinant human MAOA expressed in baculovirus infected insect ce... | 21621312 |
| Amine oxidase [flavin-containing] A | IC50 | = | 15170.0 | nM | 4.82 | Inhibition of recombinant human MAOA expressed in baculovirus infected insect ce... | 21621312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21621312 | 10.1016/j.ejmech.2011.05.014 | Amine oxidase [flavin-containing] A | 2 |
| 21621312 | 10.1016/j.ejmech.2011.05.014 | Amine oxidase [flavin-containing] B | 2 |
| 21621312 | 10.1016/j.ejmech.2011.05.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine