General Information of the Compound
Compound ID
CP0077314
Compound Name
(R)-Trihexyphenidyl
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Synonyms
Benzhexol
1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
144-11-6
Apo-Trihex
Apo-Trihex (TN)
Apo-trihex (TN)
Artane
Artane (TN)
Artane Sequels
BRN 0088959
Benzhexol
Benzhexolum
EINECS 205-614-4
HSDB 3196
NSC 12268
PMS Trihexyphenidyl
Parkinane retard
SWR-0342SA
Sedrena (free base)
Trihexane
Trihexifenidilo
Trihexifenidilo [INN-Spanish]
Trihexy
Trihexylphenedyl
Trihexylphenidyl
Trihexylphenidyle
Trihexylphenizyl
Trihexyphenidyl
Trihexyphenidyl (INN)
Trihexyphenidyl [INN:BAN]
Trihexyphenidyle
Trihexyphenidyle [INN-French]
Trihexyphenidylum
Trihexyphenidylum [INN-Latin]
Triphenidyl
trihexyphenidyl
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Structure
Formula
C20H31NO
Molecular Weight
301.474
Canonical SMILES
OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
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InChI
InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
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InChIKey
HWHLPVGTWGOCJO-UHFFFAOYSA-N
CAS
144-11-6
Physicochemical Property
logP
4.3305
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5572
SID: 14751778
ChEMBL ID
CHEMBL1490
DrugBank ID
DB00376
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00817, Cytochrome P450 2D6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2449.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Trihexyphenidyl )
Drug Name Trihexyphenidyl
Company Lederle Laboratories Div American Cyanamid Co
Indication
Dystonia
Approved
Parkinson disease
Approved
Obesity
Investigative
Target(s)
Muscarinic acetylcholine receptor M1 (CHRM1)
 Target Info 
Antagonist
Adrenergic receptor beta-3 (ADRB3)
 Target Info 
Agonist