Compound Detail
CHEMBL12848
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
O=C1N(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL12848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKSRUFVYVYEELI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
517.0
MW (Da)
6.54
ALogP
3
HBA
0
HBD
31.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 4.4 | nM | 8.36 | Inhibition of [3H]ketanserin binding to rat 5-hydroxytryptamine 2 receptors. | 1348090 |
| D(2) dopamine receptor | IC50 | = | 92.0 | nM | 7.04 | Tested for the inhibition of [3H]spiperone binding to dopamine D2 receptor | 1348090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1348090 | 10.1021/jm00084a014 | D(2) dopamine receptor | 3 |
| 1348090 | 10.1021/jm00084a014 | Rattus norvegicus | 1 |
| 1348090 | 10.1021/jm00084a014 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine