General Information of the Compound
Compound ID
CP0452199
Compound Name
1-Cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol
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Synonyms
1-Cyclohexyl-1-phenyl-3-(1-pyrrolidinyl)-1-propanol
1-Cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol
Arpicolin
Elorine
Kemadrin
Kemadrine
Lergine
Metanin
Osnervan
Prociclidina
Prociclidina [INN-Spanish]
Procidlidina
Procyclid
Procyclidine
Procyclidine (INN)
Procyclidine [INN:BAN]
Procyclidinum
Procyclidinum [INN-Latin]
Procyklidin
Prosyklidin
Spamol
Triciclidina
Triciloid
Tricoloid
Tricyclamol
Vagosin
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Structure
Formula
C19H29NO
Molecular Weight
287.447
Canonical SMILES
OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1
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InChI
InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
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InChIKey
WYDUSKDSKCASEF-UHFFFAOYSA-N
CAS
77-37-2
107661-03-0
56172-67-9
Physicochemical Property
logP
3.9404
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 4919
SID: 14873275
ChEMBL ID
CHEMBL86715
DrugBank ID
DB00387
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: PT01206, Histamine H1 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 17782.79 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Procyclidine )
Drug Name Procyclidine
Indication
Parkinson disease
Approved
Target(s)
Muscarinic acetylcholine receptor M5 (CHRM5)
 Target Info 
Antagonist