Compound Detail
CHEMBL1682818
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 | CHEMBL1682818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWCHXBLBFRYLBN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.54
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.24
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.29 | 7.29 | 51.4 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | EC50 | 6.24 | 6.24 | 572.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 51.37 | nM | 7.29 | Inhibition of human MAO-B using p-tyramine as substrate assessed as production o... | - |
| Metabotropic glutamate receptor 5 | EC50 | = | 575.44 | nM | 6.24 | Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293... | 21295468 |
| Metabotropic glutamate receptor 5 | EC50 | = | 572.1 | nM | 6.24 | Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293... | 21295468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295468 | 10.1016/j.bmcl.2011.01.027 | Metabotropic glutamate receptor 5 | 2 |
| 21295468 | 10.1016/j.bmcl.2011.01.027 | No relevant target | 1 |
| - | 10.1039/C5MD00124B | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1039/C5MD00124B | Amine oxidase [flavin-containing] B | 1 |
| - | 10.1039/C5MD00124B | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine