Compound Detail
CHEMBL6047349
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
COC(CN1CCc2sc(OCC(C)(F)F)nc2C1)C1CC2(CC(NC(=O)c3cccc4nn(C)cc34)C2)C1
Basic Information
| ChEMBL ID | CHEMBL6047349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXRPTGDSBJOKRD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
4.43
ALogP
8
HBA
1
HBD
81.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 10.24 | 10.24 | 0.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.058 | nM | 10.24 | Binding Inhibition for Dopamine D3 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
| D(2) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | Binding Inhibition for Dopamine D2 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
Data from ChEMBL 36 via Core Engine