| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 24 | Yes |
Popular Name: TOLTERODINE TARTRATE TOLTERODINE TARTRATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124936-74-9 , 124936-75-0 , 124937-51-5 , 124937-51-5 [tolterodine] , 124937-52-6 , 209747-05-7 , 837376-36-0 , [124936-74-9] , [124936-75-0] , [124937-52-6]
(+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol; (+)-Tolterodine; Tolterodine
(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol (2R,3R)-2,3-dihydroxysuccinate
(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol 2,3-dihydroxysuccinate
(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide
(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenolhydrobromide
(R)-2-(3-Diisopropylamino-1-phenyl-propyl)-p-cresol L-tartrate
2,3-Bis(1-methylethyl)amino-1-phenylpropyl-4-methylphenol
2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol
2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrochloride
2-[3-[Bis(1-Methylethyl)Amino]-1-Phenylpropyl]-4-Methyl Phenol Monohydrobromide
2-[3-[Bis(1-Methylethyl)amino]-1-phenylpropyl]-4-methylphenol hydrochloride
2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol monohydrobromide
2-[3-[bis(1-Methylethyl)amino]-1-phenylpropyl]-4-methylphenol monohydrobromide, 99%+
2-[3-[Bis(1-methylethyl)amino]-1-phenylpropy]-4-methylphenyl monohydrobromide
CPD000469196; SAM001246691; TOLTERODINE TARTRATE
CPD000469196; TOLTERODINE TARTRATE
Detrol LA, Kabi-2234, PNU-200583E
tolterodina; tolterodine; tolterodinum
tolterodine extended release capsules
| 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) | 5.51 | 10.82 | -31.89 | 2 | 2 | 1 | 25 | 326.504 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.34e-03 g/l | DrugBank-approved |
| Purity | 99% | APIChem |
| Target | AChR | Selleck Chemicals |
| Patent Database Links | EP1258253; EP1652532; EP1721607; EP1839649; EP1915992; EP1964553; EP1967202; US2003199582; US2005131067; US2006160887; US2007142479; US2007207222; US2007248670; US2007249604; US2007270436; WO2007096300; WO2007103687; WO2007109357; WO2007110753; WO20071132 | ChEBI |
| Therapy | muscarinic receptor antagonist | SMDC MicroSource |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02390t; 1 tartaric acid | NIH Clinical Collection via PubChem |
| Indications | overactive bladder | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02390t; SALT: 1 tartaric acid | NIH Clinical Collection via PubChem |
| Indications | urinary incontinence | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-5-E | Muscarinic Acetylcholine Receptor M1 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| ACM2-2-E | Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 7 | 0.48 | Binding ≤ 10μM |
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 4 | 0.49 | Binding ≤ 10μM |
| ACM4-1-E | Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3 | 0.50 | Binding ≤ 10μM |
| ACM5-2-E | Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1.4 | 0.52 | Binding ≤ 1μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 2.7 | 0.50 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 6.91 | 0.48 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 3.2 | 0.50 | Binding ≤ 1μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 7.07 | 0.48 | Binding ≤ 1μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 3.1 | 0.50 | Binding ≤ 1μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 2.2 | 0.51 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1.4 | 0.52 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 6.91 | 0.48 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 2.7 | 0.50 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 3.2 | 0.50 | Binding ≤ 10μM |
| ACM3_RAT | P08483 | Muscarinic Acetylcholine Receptor M3, Rat | 7.07 | 0.48 | Binding ≤ 10μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 3.1 | 0.50 | Binding ≤ 10μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 2.2 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
