Compound Detail
CHEMBL145408
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COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL145408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBQUUZVSFQDTPW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
6.95
ALogP
4
HBA
1
HBD
65.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 6.31 | nM | 8.2 | Ability to displace [125I]-sulpiride from human Dopamine receptor D3, expressed ... | - |
| D(2) dopamine receptor | Ki | = | 1000.0 | nM | 6.0 | Ability to displace [125I]sulpiride from human Dopamine receptor D2, expressed i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00045-0 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00045-0 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00045-0 | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine