Compound Detail
CHEMBL77411
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O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)C12CC3CC(CC(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL77411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUIQFSLMZIMPOO-AOJGPSJRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
6.40
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.47
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.47 | 6.47 | 339.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 22.0 | nM | 7.66 | Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor tr... | - |
| D(2) dopamine receptor | Ki | = | 339.0 | nM | 6.47 | Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor trans... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00443-5 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00443-5 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00443-5 | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine