Compound Detail
CHEMBL1237320
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
Fc1ccc([C@@H]2C[C@@H](N3CCN(CCN4CCN=C4S)CC3)c3cc(F)ccc32)cc1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1237320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJUUBHYOMXAORG-CFHJNSESSA-N |
| Parent Compound | CHEMBL73041 |
| Active Moiety | CHEMBL73041 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
3.76
ALogP
4
HBA
1
HBD
22.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 2.2 | nM | 8.66 | Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat c... | 2903929 |
| Adrenergic receptor alpha-1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat corti... | 2903929 |
| D(2) dopamine receptor | IC50 | = | 29.0 | nM | 7.54 | 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 | 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