| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 22 | Yes |
Popular Name: Trihexyphenidyl hydrochloride Trihexyphenidyl hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 144-11-6 , 52-49-3 , 58947-95-8 , [52-49-3]
1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol hydrochloride
1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol
1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride
1-piperidinepropanol, a-cyclohexyl-a-phenyl-, hydrochloride
144-11-6; Apo-trihex (TN); D08638; Trihexyphenidyl (INN)
144-11-6; C07171; Trihexyphenidyl
52-49-3; Artane (TN); D00787; Trihexyphenidyl hydrochloride (JP16/USP)
58947-95-8; Prestwick_133; Trihexyphenidyl-D,L Hydrochloride
Artane; CPD000058515; SAM002264652
DL-Trihexyphenidyl hydrochloride
INN); Benzhexol (BAN); Trihexyphenidyl HCl (FDA
INN); Benzhexol (BAN); Trihexyphenidyl HCl (JAN
Trihexyphenidyl (hydrochloride)
Trihexyphenidyl Hydrochloride (FDA
| 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) | 4.83 | 9.8 | -38.56 | 2 | 2 | 1 | 25 | 302.482 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.14e-03 g/l | DrugBank-approved |
| therap | anticholinergic, antiparkinsonian | MicroSource Spectrum |
| Indications | antiparkinsons | KeyOrganics Bioactives |
| Therapy | Muscarinic acetylcholine receptor antagonist; centrally acting anticholinergic | SMDC Iconix |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-9484; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-9484; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-3-E | Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 1 | 0.57 | Binding ≤ 10μM |
| ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 19 | 0.49 | Binding ≤ 10μM |
| ACM3-1-E | Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 26 | 0.48 | Binding ≤ 10μM |
| ACM4-1-E | Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 7 | 0.52 | Binding ≤ 10μM |
| ACM5-2-E | Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 10 | 0.51 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 2512 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1.3 | 0.57 | Binding ≤ 1μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 18.6 | 0.49 | Binding ≤ 1μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 26.3 | 0.48 | Binding ≤ 1μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 6.7 | 0.52 | Binding ≤ 1μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 10.3 | 0.51 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1.3 | 0.57 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 18.6 | 0.49 | Binding ≤ 10μM |
| ACM3_HUMAN | P20309 | Muscarinic Acetylcholine Receptor M3, Human | 26.3 | 0.48 | Binding ≤ 10μM |
| ACM4_HUMAN | P08173 | Muscarinic Acetylcholine Receptor M4, Human | 6.7 | 0.52 | Binding ≤ 10μM |
| ACM5_HUMAN | P08912 | Muscarinic Acetylcholine Receptor M5, Human | 10.3 | 0.51 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
