| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 15 | Yes |
Popular Name: Pilocarpine nitrate Pilocarpine nitrate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 148-72-1 , 148-72-1, 92-13-7 [pilocarpine] , 16509-56-1 , 54-71-7 , 92-13-7 , [148-72-1]
(+)-Pilocarpine hydrochloride, 99%
(3S,4R)-3-Ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydrofuran-2(3H)-one
(3S,4R)-3-Ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydrofuran-2(3H)-one nitrate
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
(3S,4R)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone
(3S-cis)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone
(3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone
148-72-1; D05478; Pilagan (TN); Pilocarpine nitrate (USP)
148-72-1; Pilocarpine nitrate; Prestwick_282
16509-56-1; D08376; Pilocarpine borate; pilolarpin ophtha (TN)
2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S,4R)-
2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-
2(3H)-furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, monohydrochloride
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-
3-ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydro-2(3H)-furanone
3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)dihydrofuran-2-one
3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone
3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone hydrochloride
3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Beta-pilocarpine hydrochloride
CPD000059053; PILOCARPINE HYDROCHLORIDE
CPD000059053; PILOCARPINE HYDROCHLORIDE; SAM001246962
Imidazole-5-butyric acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, gamma-lactone
Pilocarpine Hydrochloride (JAN
Pilocarpine Mononitrate, (3S-cis)-Isomer
Pilocarpine, Monohydrochloride, (3S-cis)-Isomer
USP); Pilocarpine Nitrate (USP)
| 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) | -0.24 | 7.74 | -43.71 | 1 | 4 | 1 | 45 | 209.269 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 7.23 | -12.41 | 0 | 4 | 0 | 44 | 208.261 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 171 | TCI |
| ALOGPS_SOLUBILITY | 2.07e+00 g/l | DrugBank-approved |
| Melting_Point | 202-205? | Alfa-Aesar |
| Melting_Point | 202-205° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Target | AChR | Selleck Chemicals |
| therap | antiglaucoma agent, miotic | MicroSource Spectrum |
| Therapy | Cholinergic receptor agonist | SMDC Iconix |
| Patent Database Links | EP1754491; US2004054213; US2004254182; US2005239863; US2005256117; US2006020000; US2006167081; US2006258726; US2007249731; US2008214545; US2008234309; US2008292585; WO2005002520; WO2005026128; WO2006020003; WO2006044232; WO2008130332 | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101761; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101761; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Patent Database Links | US2007249731; WO2007127711 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-4-E | Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 6900 | 0.48 | Binding ≤ 10μM |
| ACM2-4-E | Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 9800 | 0.47 | Binding ≤ 10μM |
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 7600 | 0.48 | Binding ≤ 10μM |
| ACM4-6-E | Muscarinic Acetylcholine Receptor M4 (cluster #6 Of 6), Eukaryotic | Eukaryotes | 7600 | 0.48 | Binding ≤ 10μM |
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 8792 | 0.47 | Functional ≤ 10μM |
| Z104303-1-O | Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other | Other | 83 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 68 | 0.67 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 26 | 0.71 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 26 | 0.71 | Binding ≤ 1μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 26 | 0.71 | Binding ≤ 1μM |
| ACM4_RAT | P08485 | Muscarinic Acetylcholine Receptor M4, Rat | 26 | 0.71 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 1010 | 0.56 | Binding ≤ 10μM |
| ACM1_MOUSE | P12657 | Muscarinic Acetylcholine Receptor M1, Mouse | 6900 | 0.48 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 26 | 0.71 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 26 | 0.71 | Binding ≤ 10μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 26 | 0.71 | Binding ≤ 10μM |
| ACM4_RAT | P08485 | Muscarinic Acetylcholine Receptor M4, Rat | 26 | 0.71 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 8792 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
