Compound Detail
CHEMBL1237331
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Cl.Cl.Oc1nc2ccccc2n1CCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
Basic Information
| ChEMBL ID | CHEMBL1237331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCSVHNBITIYXOO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL424602 |
| Active Moiety | CHEMBL424602 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.91
ALogP
5
HBA
1
HBD
44.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 9.4 | nM | 8.03 | Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat c... | 2903929 |
| D(2) dopamine receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal me... | 2903929 |
| Adrenergic receptor alpha-1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat corti... | 2903929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903929 | 10.1021/jm00120a003 | Rattus norvegicus | 4 |
| 2903929 | 10.1021/jm00120a003 | Mus musculus | 1 |
| 2903929 | 10.1021/jm00120a003 | Serotonin 2 (5-HT2) receptor | 1 |
| 2903929 | 10.1021/jm00120a003 | D(2) dopamine receptor | 1 |
| 2903929 | 10.1021/jm00120a003 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine