Compound Detail
CHEMBL6045711
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CN1Cc2c(C(=O)NC34CCC(CCN5CCc6nc(OCC(F)(F)F)sc6CC5)(CC3)CC4)cccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL6045711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYNTZKCUFSBUOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
576.7
MW (Da)
4.98
ALogP
6
HBA
1
HBD
74.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 10.1 | 10.1 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.079 | nM | 10.1 | Binding Inhibition for Dopamine D3 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
Data from ChEMBL 36 via Core Engine