Compound Detail
CHEMBL5841759
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
CN1Cc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(OCC(C)(F)F)nc5CC4)CC3)cccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL5841759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSNNKJFHFNWHFR-AQYVVDRMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
4.48
ALogP
5
HBA
1
HBD
74.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 10.92 | 10.92 | 0.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.85 | 6.85 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.012 | nM | 10.92 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
| D(3) dopamine receptor | Ki | = | 0.012 | nM | 10.92 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
| D(2) dopamine receptor | Ki | = | 140.0 | nM | 6.85 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
| D(2) dopamine receptor | Ki | = | 140.0 | nM | 6.85 | Binding Assay: 225 nL of the solutions of the non-specific ligand or the compoun... | - |
Data from ChEMBL 36 via Core Engine