Compound Detail
CHEMBL5942723
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(C)(C)c1nc(N2CCN(CCCCNC(=O)N3CCN(c4ncccn4)CC3)CC2)cc(C(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL5942723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUKWEHLCKVPDDQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
3.02
ALogP
8
HBA
1
HBD
93.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.86 | 7.86 | 13.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.92 | 5.92 | 1188.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 13.7 | nM | 7.86 | Binding Assay: The affinities of the target compounds were determined using radi... | - |
| D(3) dopamine receptor | Ki | = | 13.7 | nM | 7.86 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
| D(2) dopamine receptor | Ki | = | 1188.0 | nM | 5.92 | Binding Assay: The affinities of the target compounds were determined using radi... | - |
| D(2) dopamine receptor | Ki | = | 1188.0 | nM | 5.92 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
Data from ChEMBL 36 via Core Engine