Compound Detail
CHEMBL3323000
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Basic Information
| ChEMBL ID | CHEMBL3323000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZTKYJRCVZENNH-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
4.23
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.01 | 7.0067 | 98.7 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.3 | 5.3 | 4983.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 98.7 | nM | 7.01 | Binding Assay: The affinities of the target compounds were determined using radi... | - |
| D(3) dopamine receptor | Ki | = | 98.7 | nM | 7.01 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
| D(3) dopamine receptor | Ki | = | 99.0 | nM | 7.0 | Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by ... | 25126833 |
| D(2) dopamine receptor | Ki | = | 4983.0 | nM | 5.3 | Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by... | 25126833 |
| D(2) dopamine receptor | Ki | = | 4983.0 | nM | 5.3 | Binding Assay: The affinities of the target compounds were determined using radi... | - |
| D(2) dopamine receptor | Ki | = | 4983.0 | nM | 5.3 | Radioligand Binding Assay: Stably transfected HEK cells expressing the human D2-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25126833 | 10.1021/jm500801r | D(2) dopamine receptor | 1 |
| 25126833 | 10.1021/jm500801r | D(3) dopamine receptor | 1 |
| 25126833 | 10.1021/jm500801r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine