ALMOTRIPTAN MALATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII PJP312605E
EPA CompTox DTXSID1044225
Parent Compound: ALMOTRIPTAN

Structure

InChI Key QHATUKWEVNMHRY-UHFFFAOYSA-N
Smiles CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O
InChI
InChI=1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H31N3O7S
Molecular Weight 469.56
AlogP 2.2
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 56.41
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

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 53781
ChEMBL CHEMBL1200521
FDA SRS PJP312605E
PubChem 123607
SureChEMBL SCHEMBL221131
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