Compound Detail
CHEMBL2367896
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CCN1[C@@H](c2ccc(-c3cc(S(=O)(=O)CC)ccc3OC)[nH]2)CC[C@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2367896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVLGSRKGTAEWQF-BJKOFHAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
5.38
ALogP
4
HBA
1
HBD
62.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity, displacement of [125I]iodosulpiride from human Dopamine recept... | - |
| D(2) dopamine receptor | Ki | = | 158.49 | nM | 6.8 | Binding affinity, displacement of [125I]iodosulpiride from human Dopamine recept... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00621-X | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00621-X | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine