Compound Detail
CHEMBL489743
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 | CHEMBL489743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUKKWZVDWNDOIO-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.39
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Ki 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 6.48 | 6.48 | 333.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.48 | 4.48 | 32810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 333.0 | nM | 6.48 | Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as subs... | 21680183 |
| Entamoeba histolytica | IC50 | = | 1580.0 | nM | 5.8 | Antiamnesic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs by try... | 18378360 |
| Amine oxidase [flavin-containing] B | Ki | = | 1800.0 | nM | 5.75 | Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as subs... | 21680183 |
| Amine oxidase [flavin-containing] B | IC50 | = | 32810.0 | nM | 4.48 | Inhibition of human recombinant MAOB | 19926363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21680183 | 10.1016/j.bmcl.2011.05.057 | Amine oxidase [flavin-containing] A | 3 |
| 21680183 | 10.1016/j.bmcl.2011.05.057 | Amine oxidase [flavin-containing] B | 3 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | Entamoeba histolytica | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | ADMET | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | NON-PROTEIN TARGET | 1 |
| 19926363 | 10.1016/j.ejmech.2009.11.003 | Amine oxidase [flavin-containing] A | 1 |
| 19926363 | 10.1016/j.ejmech.2009.11.003 | Amine oxidase [flavin-containing] B | 1 |
| 19926363 | 10.1016/j.ejmech.2009.11.003 | Unchecked | 1 |
| 21680183 | 10.1016/j.bmcl.2011.05.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine