Compound Detail
CHEMBL5903653
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]3CC4(C3)C[C@](F)(CCN3CCc5nc(OCC(F)(F)F)sc5CC3)C4)cccc2n1
Basic Information
| ChEMBL ID | CHEMBL5903653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIHJHWNDFUFQRI-IZBCBXDISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
565.6
MW (Da)
4.84
ALogP
7
HBA
1
HBD
72.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.48 | 9.48 | 0.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.33 | nM | 9.48 | Binding Inhibition for Dopamine D3 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
| D(2) dopamine receptor | Ki | = | 310.0 | nM | 6.51 | Binding Inhibition for Dopamine D2 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
Data from ChEMBL 36 via Core Engine