donitriptan

Ligand id: 39

Name: donitriptan

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 98.38
Molecular weight 403.2
XLogP 2.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1B receptor Rn Agonist Partial agonist 9.7 pKi - 1
pKi 9.7 [1]
5-HT1D receptor Rn Agonist Full agonist 9.6 pKi - 1
pKi 9.6 [1]
5-HT1B receptor Hs Agonist Full agonist 9.4 pKi - 1
pKi 9.4 [1]
5-HT1D receptor Hs Agonist Full agonist 9.3 pKi - 1
pKi 9.3 [1]
5-HT1A receptor Hs Agonist Full agonist 7.6 pKi - 1
pKi 7.6 [1]
5-HT2A receptor Hs Agonist Full agonist 6.7 pKi - 1
pKi 6.7 [1]
5-HT5A receptor Hs Agonist Full agonist 6.1 pKi - 1
pKi 6.1 [1]
5-ht1e receptor Hs Agonist Full agonist 5.9 pKi - 1
pKi 5.9 [1]
5-HT6 receptor Hs Agonist Partial agonist 5.6 pKi - 1
pKi 5.6 [1]
5-HT1F receptor Hs Agonist Full agonist 5.5 pKi - 1
pKi 5.5 [1]