frovatriptan   Click here for help

GtoPdb Ligand ID: 7191

Synonyms: Frova® | SB-209509-AX | VML-251
Approved drug
frovatriptan is an approved drug (FDA (2001))
Compound class: Synthetic organic
Comment: Frovatriptan is a triptan (tryptamine-based) drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 71.9
Molecular weight 243.14
XLogP 2.35
No. Lipinski's rules broken 0
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Canonical SMILES CNC1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O
Isomeric SMILES CN[C@H]1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O
InChI InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1D receptor Primary target of this compound Hs Agonist Agonist 8.4 pKi - 1
pKi 8.4 (Ki 4.4x10-9 M) [1]
5-HT1B receptor Primary target of this compound Hs Agonist Agonist 8.0 pKi - 1
pKi 8.0 (Ki 1.03x10-8 M) [1]
5-HT1A receptor Hs Agonist Agonist 7.2 pKi - 1
pKi 7.2 (Ki 6x10-8 M) [1]