Compound Detail
CHEMBL3084912
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3084912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSOJUYFGYMSZHW-NNZMDNLPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
4.39
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.65 | 5.65 | 2250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 2250.0 | nM | 5.65 | In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of bin... | 8246241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246241 | 10.1021/jm00075a028 | D(2) dopamine receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine