UCSF

ZINC00968273

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 Yes

Other Names:

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

Apo-Trihex

Artane

Artane Sequels

Artane; CPD000058515; SAM002264652

Benzhexol

Benzhexol HCL

Benzhexol hydrochloride

Benzhexol, HCl

Benzhexolum

BRD-A48180038-003-05-2

DL-TRIHEXYPHENIDYL HYDROCHLORIDE

DNC001396

FDA)

INN); Benzhexol (BAN)

INN); Benzhexol (BAN); Trihexyphenidyl HCl (FDA

INN); Benzhexol (BAN); Trihexyphenidyl HCl (JAN

JAN

LS-116014

MFCD00058212

MFCD00599600

Parkinane Retard

PMS Trihexyphenidyl

SWR-0342SA

Tremin

Trihexane

Trihexifenidilo [INN-Spanish]

Trihexifenidilo [INN-Spanish];Trihexylphenidyl;Trihexylphenidyle;Trihexylphenizyl;Trihexyphenidyle;Trihexyphenidyle [INN-French];Trihexyphenidylum [INN-Latin];Triphenidyl

Trihexy

Trihexylphenedyl

Trihexylphenidyl

Trihexylphenidyle

Trihexylphenizyl

Trihexyphenidyl

Trihexyphenidyl (BAN

Trihexyphenidyl (hydrochloride)

Trihexyphenidyl HCl

Trihexyphenidyl Hydrochloride

Trihexyphenidyl Hydrochloride (FDA

Trihexyphenidyl-D,L Hydrochloride

Trihexyphenidyle

Trihexyphenidyle [INN-French]

Trihexyphenidylum [INN-Latin]

Triphenidyl

USP

USP)

USP); Trihexyphenidyl (BAN

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 10.28 -36.84 2 2 1 25 302.482 5

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
G alpha (i) signalling events
G alpha (q) signalling events
Muscarinic acetylcholine receptors

Analogs ( Draw Identity 99% 90% 80% 70% )