ArrestinDb

rotigotine

Agent/drug
Bioactivity

rotigotine

SMILES	CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
InChIKey	KFQYTPMOWPVWEJ-INIZCTEOSA-N

Chemical Properties

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

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	8IRT 8IRS 8IRV 8IRU 8IRR
Ligand site mutations	D₂

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₁	DRD1	Bovine	Dopamine	A	pKi	6.30	6.30	6.30	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	8.25	8.25	8.25	Drug Central
D₁	DRD1	Bovine	Dopamine	A	pKi	8.20	8.20	8.20	Drug Central
D₁	DRD1	Human	Dopamine	A	pKi	5.60	5.60	5.60	Guide to Pharmacology
D₂	DRD2	Human	Dopamine	A	pKi	10.22	10.22	10.22	Guide to Pharmacology
D₂	DRD2	Bovine	Dopamine	A	pKi	7.82	7.82	7.82	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.70	9.38	10.22	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.99	7.99	7.99	Drug Central
D₂	DRD2	Bovine	Dopamine	A	pKi	8.11	8.11	8.11	Drug Central
D₃	DRD3	Human	Dopamine	A	pKi	8.40	8.40	8.40	Guide to Pharmacology
D₃	DRD3	Human	Dopamine	A	pKi	8.40	8.40	8.40	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.08	8.08	8.08	Drug Central
D₄	DRD4	Human	Dopamine	A	pKi	7.26	7.26	7.26	Guide to Pharmacology
D₄	DRD4	Human	Dopamine	A	pKi	7.26	7.26	7.26	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.14	8.14	8.14	Drug Central
D₅	DRD5	Human	Dopamine	A	pKi	6.00	6.00	6.00	Guide to Pharmacology
D₅	DRD5	Human	Dopamine	A	pKi	8.22	8.22	8.22	Drug Central

Showing 1 to 17 of 17 entries

Search:

Receptor					Activity				Source

Protein	Gene	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	8.60	9.15	ChEMBL

Showing 1 to 2 of 2 entries

rotigotine

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 0

Phase II 6

Phase III 0

Approved Yes

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	8IRT 8IRS 8IRV 8IRU 8IRR
Ligand site mutations	D₂

Sankey plot

Drug Information

Search:

Target					Disease				Phase

Gene	Protein	Receptor family	Ligand type	Class	Indication name	ICD11	ATC	Association score	Phase	Approved

DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	Class A	Alzheimer disease	8A20	N04B	0.408	2	Yes
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	Class A	Chronic widespread pain	MG30.01	N04B	0.517	2	Yes
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	Class A	Parkinson disease, unspecified	8A00.0Z	N04B	0.621	4	Yes
DRD2	D₂ receptor	Dopamine receptors	Aminergic receptors	Class A	Restless legs syndrome	7A80	N04B	0.600	4	Yes
DRD3	D₃ receptor	Dopamine receptors	Aminergic receptors	Class A	Alzheimer disease	8A20	N04B	0.288	2	Yes
DRD3	D₃ receptor	Dopamine receptors	Aminergic receptors	Class A	Chronic widespread pain	MG30.01	N04B	0.103	2	Yes
DRD3	D₃ receptor	Dopamine receptors	Aminergic receptors	Class A	Parkinson disease, unspecified	8A00.0Z	N04B	0.612	4	Yes
DRD3	D₃ receptor	Dopamine receptors	Aminergic receptors	Class A	Restless legs syndrome	7A80	N04B	0.600	4	Yes
DRD4	D₄ receptor	Dopamine receptors	Aminergic receptors	Class A	Alzheimer disease	8A20	N04B	0.288	2	Yes
DRD4	D₄ receptor	Dopamine receptors	Aminergic receptors	Class A	Chronic widespread pain	MG30.01	N04B	0.102	2	Yes
DRD4	D₄ receptor	Dopamine receptors	Aminergic receptors	Class A	Parkinson disease, unspecified	8A00.0Z	N04B	0.609	4	Yes
DRD4	D₄ receptor	Dopamine receptors	Aminergic receptors	Class A	Restless legs syndrome	7A80	N04B	0.599	4	Yes

Showing 1 to 12 of 12 entries