Compound Detail
CHEMBL2387235
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COc1cccc(-c2cc(=O)oc3cc(OCCCCN4CCC(c5noc6cc(F)ccc56)CC4)ccc23)c1
Basic Information
| ChEMBL ID | CHEMBL2387235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSSKEUGUCIYDNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
6.79
ALogP
7
HBA
0
HBD
77.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.1 | 6.1 | 786.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 786.8 | nM | 6.1 | Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum after 15... | 23675993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23675993 | 10.1021/jm400408r | 5-hydroxytryptamine receptor 2A | 1 |
| 23675993 | 10.1021/jm400408r | 5-hydroxytryptamine receptor 1A | 1 |
| 23675993 | 10.1021/jm400408r | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine