| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 14 | No |
Popular Name: Pramipexole Pramipexole
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 104617-86-9 , 104632-25-9 , 104632-26-0 , 104632-26-09 , 104678-86-6 , 191217-81-9 , 191712-81-9 , 404875-32-7 , [104632-25-9]
(-)-Pramipexole; 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)-
(6S)-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 hydrate dihydrochloride
(S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole dihydrochloride monohydrate
(S)-4,5,6,7-Tetrahydro-N6-propylbenzo[d]thiazole-2,6-diamine hydrochloride
(S)-4,5,6,7-Tetrahydro-N6-propylbenzo[d]thiazole-2,6-diaminehydrochloride
(S)-N6-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine
(S)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
(S)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine dihydrochloride
(S)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diaminedihydrochloride
(S)-Pramipexole dihydrochloride
104632-26-0; D05575; Pramipexole (USAN/INN)
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-
2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-N~6~-propyl-, dihydrochloride
Benzene,4-chloro-1-(trifluoromethoxy)-2-(trifluoromethyl)-
CPD000449298; Pramipexole; SAM001247006
CPD000469142; PRAMIPEXOLE HCl; SAM001246540
CPD000469142; PRAMIPEXOLE HCl; SAM001246540; pramipexol
INN); Pramipexole Dihydrochloride (FDA
N~6~-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride
pramipexol; pramipexole; pramipexolum
Pramipexole dihydrochloride monohydrate
Pramipexoledihydrochloridemonohydrate
SUD-919CL2Y; U-98528E; PNU-98528E; SND-919CL2Y; SND919CL2Y
U-98528E; PNU-98528E; SND-919CL2Y; SND919CL2Y
| 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 | 3.81 | -44.37 | 4 | 3 | 1 | 56 | 212.342 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.09 | 4.24 | -88 | 5 | 3 | 2 | 57 | 213.35 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.40e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| therap | antidepressant, dopamine antagonist | MicroSource Spectrum |
| Indications | antiparkinsons | KeyOrganics Bioactives |
| Target | Dopamine Receptor | Selleck Chemicals |
| Patent Database Links | EP1254661; EP1576985; EP1591119; EP1731514; EP1783120; EP1797871; EP1808492; EP1815854; EP1870096; EP1952813; EP1987815; EP1987832; US2004106611; US2004142904; US2005009870; US2005014786; US2005054658; US2005059717; US2005080087; US2006100256; US200614886 | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02587p; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100677 | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| UniProt Database Links | S22A1_BOVIN; S22A1_HUMAN; S22A1_MOUSE; S22A1_PIG; S22A1_RABIT; S22A1_RAT | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02587p; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100677 | NIH Clinical Collection via PubChem |
| Purity | ¡Ý98.5% | APIChem |
| 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 |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 38 | 0.74 | Binding ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.85 | Binding ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9 | 0.80 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4700 | 0.53 | Functional ≤ 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 | 4700 | 0.53 | 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 | 2 | 0.87 | Functional ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4700 | 0.53 | Functional ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4700 | 0.53 | Functional ≤ 10μM |
| DRD2-22-E | Dopamine D2 Receptor (cluster #22 Of 24), Eukaryotic | Eukaryotes | 9 | 0.80 | Binding ≤ 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_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 1.6 | 0.88 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 21 | 0.77 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 12 | 0.79 | Binding ≤ 1μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 0.78 | 0.91 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 0.87 | 0.91 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 130 | 0.69 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 12 | 0.79 | Binding ≤ 10μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 1.6 | 0.88 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1900 | 0.57 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 0.87 | 0.91 | Binding ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 0.78 | 0.91 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 130 | 0.69 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 4700 | 0.53 | Functional ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 5 | 0.83 | Functional ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 12 | 0.79 | Functional ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1.5 | 0.88 | Functional ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 4700 | 0.53 | Functional ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 4700 | 0.53 | Functional ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 15 | 0.78 | Functional ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 4700 | 0.53 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
