Molecular Details
DICL_CP_0312982
- (6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312982
PubChem CID
Molecular Formula
C10H17N3S Molecular Weight
211.334 g/mol
Synonyms/Alias
[Dexpramipexole; 104632-28-2; (R)-PRAMIPEXOLE; (R)-N6-propyl-4;5;6;7-tetrahydrobenzo[d]thiazole-2;6-diamine; R-(+)-Pramipexole; WI638GUS96; (R)-Pramipexole Dihydrochloride; (6R)-6-N-propyl-4;5;6;7-tet...
InChI Key
FASDKYOPVNHBLU-SSDOTTSWSA-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-/m1/s1
IUPAC Name
(6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CAS Number
104632-26-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 32 0 0 0 0 0 0 0 0999 V2000
-4.3681 1.0158 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1972 0.9376 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6211 -0.487...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 10 subunit alpha
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 294 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−70 mV mV
Temperature
22 °C
Test Method
Patch-clamping
Test Species
DRG neurons cell
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
neuropathic pain
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
3
logP
1.5822
Complexity
60.6331
TPSA (Ų)
50.94
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2