General Information of the Compound
Compound ID
CP0444221
Compound Name
(r)-pramipexole
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Synonyms
(6R)-4,5,6,7-tetrahydro-N6-propyl-2,6-benzothiazole-diamine
(6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
(6R)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
(R)-4,5,6,7-TETRAHYDRO-6-(PROPYLAMINO)-BENZOTHIAZOLE-2-AMINE
(R)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
(R)-PRAMIPEXOLE
(R)-Pramipexole;R-(+)-Pramipexole;KNS-760704
104632-28-2
2,6-BENZOTHIAZOLEDIAMINE, 4,5,6,7-TETRAHYDRO-N6-PROPYL-, (R)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (6R)-
AC-36724
AKOS005555111
AS-56557
BCP12512
BDBM50568780
CHEMBL249420
CS-1196
D09886
DB15130
DEXPRAMIPEXOLE [INN]
DEXPRAMIPEXOLE [USAN]
DEXPRAMIPEXOLE [WHO-DD]
DTXSID50146624
Dexpramipexole
Dexpramipexole (USAN/INN)
Dexpramipexole [USAN:INN]
EN300-123062
F19514
FASDKYOPVNHBLU-SSDOTTSWSA-N
HY-17355B
KNS-760704
MLS006011813
Q5268345
R-(+)-Pramipexole
SCHEMBL74780
SMR004703492
UNII-WI638GUS96
WI638GUS96
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Structure
Formula
C10H17N3S
Molecular Weight
211.334
Canonical SMILES
CCCN[C@@H]1CCc2nc(N)sc2C1
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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-/m1/s1
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InChIKey
FASDKYOPVNHBLU-SSDOTTSWSA-N
CAS
104632-26-0
Physicochemical Property
logP
1.5822
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
50.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
14

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 59868
SID: 16594047
ChEMBL ID
CHEMBL249420
DrugBank ID
DB15130
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 0.6607 nM
   TI
   LI
   LO
   TS
Protein ID: PT01357, Histamine H2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 39810.72 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dexpramipexole )
Drug Name Dexpramipexole
Company Knopp Biosciences
Indication
Eosinophilic asthma
Phase 3
Hypereosinophilic syndrome
Phase 2