Compound Detail
CHEMBL142908
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CC(C)c1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL142908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSBIMIXXUPKBLA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
490.7
MW (Da)
6.22
ALogP
3
HBA
0
HBD
31.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 16.0 | nM | 7.8 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor from rat cort... | 1336053 |
| Adrenergic receptor alpha-1 | IC50 | = | 730.0 | nM | 6.14 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of whole rat brain... | 1336053 |
| D(2) dopamine receptor | IC50 | = | 2000.0 | nM | 5.7 | Displacement of [3H]-spiperone from Dopamine receptor D2 from rat striatal membr... | 1336053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1336053 | 10.1021/jm00104a006 | Rattus norvegicus | 4 |
| 1336053 | 10.1021/jm00104a006 | Mus musculus | 2 |
| 1336053 | 10.1021/jm00104a006 | Serotonin 2 (5-HT2) receptor | 1 |
| 1336053 | 10.1021/jm00104a006 | D(2) dopamine receptor | 1 |
| 1336053 | 10.1021/jm00104a006 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine