Compound Detail
CHEMBL5886479
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
CC(Oc1nc2c(s1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4nn(C)cc34)CC1)CC2)C(F)F
Basic Information
| ChEMBL ID | CHEMBL5886479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVQMUKSPRVEFME-YIQCUVMYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.7
MW (Da)
4.84
ALogP
7
HBA
1
HBD
72.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.96 | 9.94 | 0.1 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.11 | nM | 9.96 | Binding Inhibition for Dopamine D3 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
| D(3) dopamine receptor | Ki | = | 0.12 | nM | 9.92 | Binding Inhibition for Dopamine D3 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
| D(2) dopamine receptor | Ki | = | 1200.0 | nM | 5.92 | Binding Inhibition for Dopamine D2 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
Data from ChEMBL 36 via Core Engine