Pergolide


SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3
InChIKey YEHCICAEULNIGD-MZMPZRCHSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 314.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D2

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.7 8.7 8.7 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.9 7.9 7.9 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 Guide to Pharmacology
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.3 8.65 9.0 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 7.3 7.3 7.3 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 7.5 7.5 7.5 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 7.2 7.2 7.2 Guide to Pharmacology
D1 DRD1 Human Dopamine A pKi 5.9 6.2 6.5 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 7.5 7.55 7.6 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 8.3 8.3 8.3 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.0 6.75 7.5 Guide to Pharmacology
D2 DRD2 Bovine Dopamine A pIC50 7.32 7.32 7.32 ChEMBL
D3 DRD3 Rat Dopamine A pIC50 8.29 8.45 8.62 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 7.06 7.06 7.06 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.58 5.58 5.58 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 5.84 5.84 5.84 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.19 7.19 7.19 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.54 7.54 7.54 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.71 5.71 5.71 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.85 5.85 5.85 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.58 6.58 6.58 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.0 7.0 7.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.82 5.82 5.82 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.13 6.13 6.13 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.12 7.12 7.12 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.31 7.31 7.31 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.7 6.08 6.47 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.17 6.17 6.17 ChEMBL
D2 DRD2 Rat Dopamine A pKd 7.35 7.67 8.4 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 7.5 7.95 8.8 ChEMBL
D2 DRD2 Rat Dopamine A pKi 9.0 9.0 9.0 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 8.11 8.11 8.11 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.82 7.82 7.82 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 7.41 7.41 7.41 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.75 7.75 7.75 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.42 6.42 6.42 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 6.66 6.66 6.66 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.4 8.57 8.74 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.85 7.85 7.85 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.41 8.41 8.41 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 8.05 8.05 8.05 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.4 8.74 9.07 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.27 8.27 8.27 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.3 7.66 8.4 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.96 6.96 6.96 ChEMBL
D2 DRD2 Human Dopamine A pEC50 9.45 9.45 9.45 ChEMBL
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.32 7.66 8.0 PDSP Ki database
5-HT7 5HT7R Guinea pig 5-Hydroxytryptamine A pKi 6.75 7.14 7.53 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.5 6.6 6.72 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.26 7.45 7.64 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.04 5.76 6.48 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 4.87 5.17 5.47 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.68 6.89 7.11 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 8.21 8.21 8.21 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.28 6.76 7.15 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.23 6.23 6.23 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 4.98 4.98 4.98 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 5.16 5.16 5.16 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.53 5.53 5.53 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.3 6.3 6.3 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 6.49 6.49 6.49 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.17 6.17 6.17 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 4.0 4.0 4.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 4.0 4.0 4.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.72 7.72 7.72 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.88 6.88 6.88 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.55 5.55 5.55 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.08 7.08 7.08 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.53 5.53 5.53 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 4.77 4.77 4.77 PDSP Ki database
D1 DRD1 Mouse Dopamine A pKi 5.4 5.4 5.4 PDSP Ki database
D2 DRD2 Mouse Dopamine A pKi 7.11 7.11 7.11 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.4 5.4 5.4 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 7.14 7.14 7.14 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 7.09 7.09 7.09 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pEC50 7.09 7.09 7.09 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 7.19 7.19 7.19 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.11 7.11 7.11 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 7.22 7.22 7.22 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 7.12 7.12 7.12 Drug Central
D3 DRD3 Human Dopamine A pEC50 7.05 7.05 7.05 Drug Central
D5 DRD5 Human Dopamine A pKi 7.17 7.17 7.17 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 7.18 7.18 7.18 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 7.14 7.14 7.14 Drug Central
D4 DRD4 Human Dopamine A pKi 7.14 7.14 7.14 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 7.21 7.21 7.21 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 7.21 7.21 7.21 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 7.23 7.23 7.23 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.13 7.13 7.13 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 7.24 7.24 7.24 Drug Central
D2 DRD2 Rat Dopamine A pKd 7.08 7.08 7.08 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.11 7.11 7.11 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 Drug Central
D2 DRD2 Bovine Dopamine A pIC50 7.14 7.14 7.14 Drug Central
D3 DRD3 Rat Dopamine A pIC50 7.06 7.06 7.06 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.12 7.12 7.12 Drug Central
D2 DRD2 Human Dopamine A pEC50 7.08 7.08 7.08 Drug Central
D1 DRD1 Human Dopamine A pKi 7.19 7.19 7.19 Drug Central