pramipexole   Click here for help

GtoPdb Ligand ID: 953

Synonyms: Mirapex® | Mirapexin® | Sifrol® | SND-919CL2Y | U-98528E
Approved drug PDB Ligand
pramipexole is an approved drug (FDA and EMA (1997))
Compound class: Synthetic organic
Comment: Marketed formulations may contain pramipexole dihydrochloride monohydrate (PubChem CID 166589).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 79.18
Molecular weight 211.11
XLogP 0.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCNC1CCc2c(C1)sc(n2)N
Isomeric SMILES CCCN[C@H]1CCc2c(C1)sc(n2)N
InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
InChI Key FASDKYOPVNHBLU-ZETCQYMHSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (1997))
IUPAC Name Click here for help
(6S)-N'-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
International Nonproprietary Names Click here for help
INN number INN
6227 pramipexole
Synonyms Click here for help
Mirapex® | Mirapexin® | Sifrol® | SND-919CL2Y | U-98528E
Database Links Click here for help
BindingDB Ligand 50226040
CAS Registry No. 104632-26-0
ChEBI CHEBI:8356
ChEMBL Ligand CHEMBL301265
DrugBank Ligand DB00413
DrugCentral Ligand 2233
GtoPdb PubChem SID 135650847
PubChem CID 119570
RCSB PDB Ligand G6L
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Wikipedia Pramipexole