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
References
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Drug-induced valvulopathy: an update.
Toxicol Pathol, 38 (6): 837-48. [PMID:20716786]
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Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. I. A multivariate analysis of the binding profiles of 14 drugs at 21 native and cloned human receptor subtypes.
J Pharmacol Exp Ther, 303 (2): 791-804. [PMID:12388666]
3. Monsma Jr FJ, Shen Y, Ward RP, Hamblin MW, Sibley DR. (1993)
Cloning and expression of a novel serotonin receptor with high affinity for tricyclic psychotropic drugs.
Mol Pharmacol, 43 (3): 320-7. [PMID:7680751]
4. Shen Y, Monsma Jr FJ, Metcalf MA, Jose PA, Hamblin MW, Sibley DR. (1993)
Molecular cloning and expression of a 5-hydroxytryptamine7 serotonin receptor subtype.
J Biol Chem, 268 (24): 18200-4. [PMID:8394362]
5. Sokoloff P, Andrieux M, Besançon R, Pilon C, Martres MP, Giros B, Schwartz JC. (1992)
Pharmacology of human dopamine D3 receptor expressed in a mammalian cell line: comparison with D2 receptor.
Eur J Pharmacol, 225 (4): 331-7. [PMID:1354163]
6. Sunahara RK, Guan HC, O'Dowd BF, Seeman P, Laurier LG, Ng G, George SR, Torchia J, Van Tol HH, Niznik HB. (1991)
Cloning of the gene for a human dopamine D5 receptor with higher affinity for dopamine than D1.
Nature, 350 (6319): 614-9. [PMID:1826762]