Compound Detail
CHEMBL3322995
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Basic Information
| ChEMBL ID | CHEMBL3322995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDOZPIGWNKAYKX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.69
ALogP
5
HBA
1
HBD
52.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Ki 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.79 | 6.79 | 162.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | IC50 | = | 1.8 | nM | 8.74 | Antagonist activity against D3R in human U2OS cells assessed as inhibition of (+... | 25126833 |
| D(3) dopamine receptor | Ki | = | 2.9 | nM | 8.54 | Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by ... | 25126833 |
| D(2) dopamine receptor | IC50 | = | 60.0 | nM | 7.22 | Antagonist activity against human D2LR expressed in CHOK1 cells assessed as inhi... | 25126833 |
| D(2) dopamine receptor | Ki | = | 162.0 | nM | 6.79 | Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by... | 25126833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25126833 | 10.1021/jm500801r | D(2) dopamine receptor | 5 |
| 25126833 | 10.1021/jm500801r | D(3) dopamine receptor | 5 |
| 25126833 | 10.1021/jm500801r | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine