Compound Detail
CHEMBL5788865
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CC(C)(C)c1cc(N2CCN(CCCCNC(=O)N3CCc4c([nH]c5ccccc45)C3)CC2)nc(C(C)(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL5788865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTWPJLLDBXANCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
545.8
MW (Da)
5.22
ALogP
5
HBA
2
HBD
80.4
PSA (Ų)
0.42
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.51 | 6.51 | 308.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 9.5 | nM | 8.02 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
| D(2) dopamine receptor | Ki | = | 308.0 | nM | 6.51 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
Data from ChEMBL 36 via Core Engine