Compound Detail
CHEMBL5990865
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(F)(F)COc1nc2c(s1)CCN(CC[C@H]1CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC1)C2
Basic Information
| ChEMBL ID | CHEMBL5990865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDOTVZOVPXPXFB-SAABIXHNSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
4.60
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.36 | 9.36 | 0.4 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.1 | 7.1 | 79.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.44 | nM | 9.36 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
| D(3) dopamine receptor | Ki | = | 0.44 | nM | 9.36 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
| D(2) dopamine receptor | Ki | = | 79.0 | nM | 7.1 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
| D(2) dopamine receptor | Ki | = | 79.0 | nM | 7.1 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
Data from ChEMBL 36 via Core Engine