Stereochemistry | ACHIRAL |
Molecular Formula | C21H31N5O.ClH |
Molecular Weight | 405.965 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.O=C(NCCN1CCN(CC1)C2=NC=CC=N2)C34CC5CC(CC(C5)C3)C4
InChI
InChIKey=PPHCXMVJHQJEAK-UHFFFAOYSA-N
InChI=1S/C21H31N5O.ClH/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20;/h1-3,16-18H,4-15H2,(H,22,27);1H
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C21H31N5O |
Molecular Weight | 369.5037 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Adatanserin is an adamantyl piperazine derivative a partial agonist of 5-HT1A receptors and antagonist of 5-HT2A and 5-HT2C receptors. Adatanserin demonstrated activity in vivo in rat serotonin syndrome, quipazine- and DOI-induced head shake experiments, and anxiolytic activity in animal conflict model. It was developed by Wyeth for the treatment of depression. The compound was investigated in phase II clinical trials in anxiety disorders and major depressive disorders, but no results were reported, and the development of adatanserin was discontinued.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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