pergolide   Click here for help

GtoPdb Ligand ID: 48

Synonyms: LY-127809 | Permax®
Approved drug
pergolide is an approved drug (FDA (1988))
Comment: Marketed formulations may contain pergolide mesylate (PubChem CID 47812).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.33
Molecular weight 314.18
XLogP 4.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN1CC(CSC)CC2C1Cc1c[nH]c3c1c2ccc3
Isomeric SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3
InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
InChI Key YEHCICAEULNIGD-MZMPZRCHSA-N
Bioactivity Comments
Pergolide has activity across all of the monoamine receptor families: dopamine receptors, serotonin receptors and adrenoceptors.
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1A receptor Hs Agonist Partial agonist 8.7 pKi - 2
pKi 8.7 [2]
5-HT7 receptor Rn Agonist Full agonist 8.3 – 9.0 pKi - 4
pKi 8.3 – 9.0 [4]
D3 receptor Hs Agonist Partial agonist 8.3 pKi - 2,5
pKi 8.3 (Ki 5.01x10-9 M) [2,5]
5-HT2B receptor Hs Agonist Full agonist 8.2 pKi - 2
pKi 8.2 [2]
5-HT2A receptor Hs Agonist Full agonist 8.1 pKi - 2
pKi 8.1 [2]
5-HT1D receptor Hs Agonist Partial agonist 7.9 pKi - 2
pKi 7.9 [2]
D2 receptor Hs Agonist Full agonist 7.5 – 7.6 pKi - 2
pKi 7.5 – 7.6 [2]
5-HT6 receptor Rn Agonist Full agonist 7.5 pKi - 3
pKi 7.5 [3]
α2B-adrenoceptor Hs Agonist Partial agonist 7.5 pKi - 2
pKi 7.5 [2]
α2A-adrenoceptor Hs Agonist Partial agonist 7.3 pKi - 2
pKi 7.3 [2]
α2C-adrenoceptor Hs Agonist Partial agonist 7.2 pKi - 2
pKi 7.2 [2]
D4 receptor Hs Agonist Partial agonist 7.2 pKi - 2
pKi 7.2 [2]
D5 receptor Hs Agonist Full agonist 6.0 – 7.5 pKi - 2,6
pKi 6.0 – 7.5 [2,6]
5-HT1B receptor Hs Agonist Full agonist 6.6 pKi - 2
pKi 6.6 [2]
5-HT2C receptor Hs Agonist Partial agonist 6.5 pKi - 2
pKi 6.5 [2]
D1 receptor Hs Agonist Full agonist 5.9 – 6.5 pKi - 2,6
pKi 5.9 – 6.5 [2,6]
Ligand mentioned in the following text fields