Compound Detail
CHEMBL508817
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 | CHEMBL508817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUQJYIZPEFPZPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.08
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 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.32 | 4.32 | 48310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 1610.0 | nM | 5.79 | Antiamnesic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs by try... | 18378360 |
| Amine oxidase [flavin-containing] B | IC50 | = | 48310.0 | nM | 4.32 | Inhibition of human recombinant MAOB | 19926363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108736 | 10.1039/C7MD00440K | Candida albicans | 22 |
| 30108736 | 10.1039/C7MD00440K | Unchecked | 9 |
| 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 |
Data from ChEMBL 36 via Core Engine