Compound Detail
CHEMBL3084504
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O[C@@]1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3084504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTSZTPIAGJECRH-BRLLKYFNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.3
MW (Da)
5.49
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.26 | 6.26 | 545.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 480.0 | nM | 6.32 | Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 c... | 18774793 |
| D(2) dopamine receptor | Ki | = | 545.0 | nM | 6.26 | Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 ... | 18774793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18774793 | 10.1021/jm800532x | D(2) dopamine receptor | 1 |
| 18774793 | 10.1021/jm800532x | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine