ELETRIPTAN HYDROBROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII M41W832TA3
Parent Compound: ELETRIPTAN

Structure

InChI Key UTINOWOSWSPFLJ-FSRHSHDFSA-N
Smiles Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
InChI
InChI=1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27BrN2O2S
Molecular Weight 463.44
AlogP 3.82
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 53.17
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1b (5-HT1b) receptor agonist AGONIST FDA

Target Conservation

Protein: Serotonin 1d (5-HT1d) receptor
Description: 5-hydroxytryptamine receptor 1D
Organism : Homo sapiens
P28221 ENSG00000179546
Protein: Serotonin 1b (5-HT1b) receptor
Description: 5-hydroxytryptamine receptor 1B
Organism : Homo sapiens
P28222 ENSG00000135312
Protein: Serotonin 1f (5-HT1f) receptor
Description: 5-hydroxytryptamine receptor 1F
Organism : Homo sapiens
P30939 ENSG00000179097

Cross References

Resources Reference
ChEBI 61176
ChEMBL CHEMBL1201003
FDA SRS M41W832TA3
PubChem 656631
SureChEMBL SCHEMBL317370
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