Compound Detail
CHEMBL6015867
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CCCN1CCC[C@@H]2Cc3c(ccc(O)c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL6015867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAFMEIHFRQARQG-VFUBLZDWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
0.25
ALogP
8
HBA
5
HBD
139.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 1100.0 | nM | 5.96 | Dopamine D2 Receptor Agonism: Dopamine D2 receptor agonism was measured using a ... | - |
| D(1A) dopamine receptor | EC50 | = | 2700.0 | nM | 5.57 | Dopamine D1 Receptor Agonism: Dopamine D1 receptor agonism was measured using a ... | - |
Data from ChEMBL 36 via Core Engine