Compound Detail
CHEMBL3937643
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Basic Information
| ChEMBL ID | CHEMBL3937643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTVAIMZRGJKGPN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
2.96
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.96
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.96 | 7.865 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 1.7 | nM | 8.77 | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug ... | - |
| D(2) dopamine receptor | EC50 | = | 11.0 | nM | 7.96 | cAMP GloSensor Assay: HEK293T cells co-expressing the cAMP biosensor GloSensor-2... | - |
| D(2) dopamine receptor | EC50 | = | 17.0 | nM | 7.77 | Beta-Arrestin Recruitment (Tango) Assay: Recruitment of β-arrestin to agonist-st... | - |
Data from ChEMBL 36 via Core Engine