Compound Detail
CHEMBL3903542
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Basic Information
| ChEMBL ID | CHEMBL3903542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRARFJICFRVCGK-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
5.89
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.54
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.68
Ki 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.84 | 6.84 | 145.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 5.68 | 5.01 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 145.0 | nM | 6.84 | Radioligand Binding Assay: Membranes prepared as above were resuspended to 1 ug ... | - |
| D(2) dopamine receptor | EC50 | = | 2100.0 | nM | 5.68 | Beta-Arrestin Recruitment (Tango) Assay: Recruitment of β-arrestin to agonist-st... | - |
| D(2) dopamine receptor | EC50 | = | 46000.0 | nM | 4.34 | cAMP GloSensor Assay: HEK293T cells co-expressing the cAMP biosensor GloSensor-2... | - |
Data from ChEMBL 36 via Core Engine