Compound Detail
CHEMBL453023
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CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@@H](C(=O)[O-])C1)[C@@H]32.[Na+]
Basic Information
| ChEMBL ID | CHEMBL453023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAORVHGBICJISE-STYPWORHSA-M |
| Parent Compound | CHEMBL1207906 |
| Active Moiety | CHEMBL1207906 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
2.87
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9182127 | 10.1021/np960482l | Unchecked | 9 |
| 9182127 | 10.1021/np960482l | 5-hydroxytryptamine receptor 1A | 1 |
| 9182127 | 10.1021/np960482l | 5-hydroxytryptamine receptor 2A | 1 |
| 9182127 | 10.1021/np960482l | 5-hydroxytryptamine receptor 3A | 1 |
| 9182127 | 10.1021/np960482l | Glucocorticoid receptor | 1 |
| 9182127 | 10.1021/np960482l | D(2) dopamine receptor | 1 |
| 9182127 | 10.1021/np960482l | D(1A) dopamine receptor | 1 |
| 9182127 | 10.1021/np960482l | Adrenergic receptor alpha-1 | 1 |
| 9182127 | 10.1021/np960482l | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine