[3H]alniditan   Click here for help

GtoPdb Ligand ID: 117

Synonyms: R-91274
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 57.68
Molecular weight 302.21
XLogP 2.17
No. Lipinski's rules broken 0
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Canonical SMILES C(NCC1CCc2c(O1)cccc2)CCNC1=NCCCN1
Isomeric SMILES C(NC[C@H]1CCc2c(O1)cccc2)CCNC1=NCCCN1
InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1D receptor Hs Agonist Full agonist 8.9 – 8.9 pKd - 1
pKd 8.9 – 8.9 (Kd 1.4x10-9 – 1.2x10-9 M) [1]
5-HT1B receptor Hs Agonist Full agonist 8.6 – 9.0 pKd - 1
pKd 8.6 – 9.0 (Kd 2.51x10-9 – 1x10-9 M) [1]