PRAMIPEXOLE

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Synonyms
Status
Molecule Category Free-form
ATC N04BC05
UNII 83619PEU5T
EPA CompTox DTXSID6023496

Structure

InChI Key FASDKYOPVNHBLU-ZETCQYMHSA-N
Smiles CCCN[C@H]1CCc2nc(N)sc2C1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N3S
Molecular Weight 211.33
AlogP 1.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 50.94
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 52.2-75.7 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
0.21-100 7.8-450 1.6 0.45-743.7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1-100 - - 0.7244-743.7 -
Rattus norvegicus
1.98-21.5 7.8-450 - 0.45-39 -

Related Entries

Cross References

Resources Reference
ChEBI 8356
ChEMBL CHEMBL301265
DrugBank DB00413
DrugCentral 2233
FDA SRS 83619PEU5T
Human Metabolome Database HMDB0014557
Guide to Pharmacology 953
PDB G6L
PubChem 119570
SureChEMBL SCHEMBL35376
ZINC ZINC000003781664
CONTENTS