rotigotine


SMILES CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1
InChIKey KFQYTPMOWPVWEJ-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 315.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8IRS 8IRU 8IRR 8IRV 8IRT
Ligand site mutations D2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 5.6 5.6 5.6 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 10.22 10.22 10.22 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 7.26 7.26 7.26 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
D1 DRD1 Bovine Dopamine A pKi 6.3 6.3 6.3 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 7.82 7.82 7.82 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.26 7.26 7.26 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.4 8.4 8.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.7 9.38 10.22 ChEMBL
D1 DRD1 Human Dopamine A pKi 8.25 8.25 8.25 Drug Central
D2 DRD2 Human Dopamine A pKi 7.99 7.99 7.99 Drug Central
D3 DRD3 Human Dopamine A pKi 8.08 8.08 8.08 Drug Central
D5 DRD5 Human Dopamine A pKi 8.22 8.22 8.22 Drug Central
D1 DRD1 Bovine Dopamine A pKi 8.2 8.2 8.2 Drug Central
D2 DRD2 Bovine Dopamine A pKi 8.11 8.11 8.11 Drug Central
D3 DRD3 Human Dopamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pEC50 7.55 7.55 7.55 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.36 8.6 9.15 ChEMBL