General Information of the Compound
Compound ID
CP0860527
Compound Name
GLYCOPYRROLATE
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Synonyms
3-Hydroxy-1,1-dimethylpyrrolidinium bromide
596-51-0
AHR 504
AHR-504
Asecryl
Bromure de glycopyrronium
Bromure de glycopyrronium [INN-French]
Bromuro de glicopirronio
Bromuro de glicopirronio [INN-Spanish]
Copyrrolate
Cuvposa
EINECS 209-887-0
GLYCOPYRROLATE
Gastrodyn
Glycopyrrolate
Glycopyrrolate bromide
Glycopyrronii bromidum
Glycopyrronii bromidum [INN-Latin]
NVA-237
Nodapton
ROBINUL FORTE
Robanul
Robinal
Robinul
Tarodyl
Tarodyn
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Structure
Formula
C19H28BrNO3
Molecular Weight
398.341
Canonical SMILES
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]
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InChI
InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
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InChIKey
VPNYRYCIDCJBOM-UHFFFAOYSA-M
CAS
53808-86-9
596-51-0
Physicochemical Property
logP
-0.5397
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 11693
SID: 49684186
ChEMBL ID
CHEMBL1201027
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.1259 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.5012 nM
   TI
   LI
   LO
   TS
2
Ki = 1.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.2512 nM
   TI
   LI
   LO
   TS
2
Ki = 0.81 nM
   TI
   LI
   LO
   TS
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.1585 nM
   TI
   LI
   LO
   TS
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.1995 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Glycopyrrolate )
Drug Name Glycopyrrolate
Company Novartis
Indication
Anaesthesia
Approved
Chronic obstructive pulmonary disease
Approved
Target(s)
Muscarinic acetylcholine receptor M1 (CHRM1)
Antagonist