Compound Detail
CHEMBL3912435
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 | CHEMBL3912435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NENVXZKTDUNSBM-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
2.72
ALogP
7
HBA
1
HBD
76.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.4
Ki 1 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 9.4 | 9.31 | 0.4 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.35 | 9.35 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 0.4 | nM | 9.4 | cAMP GloSensor Assay: HEK293T cells co-expressing the cAMP biosensor GloSensor-2... | - |
| D(2) dopamine receptor | Ki | = | 0.45 | nM | 9.35 | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug ... | - |
| D(2) dopamine receptor | EC50 | = | 0.6 | nM | 9.22 | Beta-Arrestin Recruitment (Tango) Assay: Recruitment of β-arrestin to agonist-st... | - |
Data from ChEMBL 36 via Core Engine