| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 14 | No |
Popular Name: N~6~-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride N~6~-propyl-4,5,6,7-tetrahydro-1…
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CAS Numbers: , 104632-25-9 , 104632-26-0 , 104632-26-09 , 104632-27-1 , 104632-28-2 , 104678-86-6 , 191217-81-9 , 908244-04-2
(6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
(6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
(6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
(R)-N*6*-Propyl-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine
(R)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
(R)-Pramipexole dihydrochloride
(S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole
(S)-4,5,6,7-Tetrahydro-N6-propylbenzo[d]thiazole-2,6-diaminehydrochloride
(S)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diaminedihydrochloride
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (6R)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (S)-
2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-N~6~-propyl-, dihydrochloride
2-amino-4,5,6,7-tetrahydro-6-propylaminobenzothiazole
2-amino-6-propylaminotetrahydrobenzothiazole
908244-04-2; D09887; Dexpramipexole dihydrochloride (USAN)
Benzene,4-chloro-1-(trifluoromethoxy)-2-(trifluoromethyl)-
Dexpramipexole (USAN); Dexpramipexole Dihydrochloride (USAN)
Dexpramipexole dihydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.09 | -3.83 | -44.21 | 4 | 3 | 1 | 55 | 212.342 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.09 | -3.76 | -87.99 | 5 | 3 | 2 | 56 | 213.35 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| mechanism | Dopamine-D1/D2 receptor agonist | IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0192060A1; EP0304478A1; EP0304478B1; EP0333836A1; EP0333836B1; EP0354220A1; EP0354220B1; EP0354588A1; EP0354588B1; EP0357997A1; EP0357997B1; EP0369769A2; EP0369769B1; EP0389617A1; EP0389617B1; EP0405982A1; EP0407096A2; EP0407096B1; EP0407097A2; EP040709 | IBM Patent Data |
| biological_use | For treating Parkinson's disease and restless legs syndrome (RLS) | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.85 | Binding ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.85 | Binding ≤ 10μM |
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.87 | Functional ≤ 10μM |
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 27 | 0.76 | Functional ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.90 | Functional ≤ 10μM |
| DRD2-22-E | Dopamine D2 Receptor (cluster #22 Of 24), Eukaryotic | Eukaryotes | 280 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 280 | 0.66 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 139 | 0.69 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 2.78 | 0.86 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 0.49 | 0.93 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 139 | 0.69 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 280 | 0.66 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 2.78 | 0.86 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 0.49 | 0.93 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 1.7 | 0.88 | Functional ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 27 | 0.76 | Functional ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1 | 0.90 | Functional ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 0.21 | 0.97 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
