Compound Detail
CHEMBL267795
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Basic Information
| ChEMBL ID | CHEMBL267795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHAMYXPEZSUOCU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.05
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.47 | 8.425 | 3.4 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 3.4 | nM | 8.47 | Inhibitory activity against 5-hydroxytryptamine 2 receptor | 1479590 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 4.2 | nM | 8.38 | Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat c... | 2903929 |
| Adrenergic receptor alpha-1 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat corti... | 2903929 |
| D(2) dopamine receptor | IC50 | = | 930.0 | nM | 6.03 | Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal me... | 2903929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903929 | 10.1021/jm00120a003 | Rattus norvegicus | 8 |
| 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 |
| 1479590 | 10.1021/jm00104a017 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine