DICYCLOMINE HYDROCHLORIDE


Trade Names	BENTYL BENTYL PRESERVATIVE FREE DICYCLOMINE HYDROCHLORIDE DICYCLOMINE HYDROCHLORIDE (PRESERVATIVE FREE)
Synonyms	Bentyl Bentyl preservative free Bentylol Dicyclomine Hydrochloride (Preservative-Free) Dicyclomine hcl Dicyclomine hydrochloride Dicyclomine hydrochloride (preservative free) Dicycloverine hydrochloride Kolantyl hydrochloride Merbentyl Merbentyl 20 NSC-404381 Wyovin
Status
Molecule Category	Salt
UNII	CQ903KQA31
EPA CompTox	DTXSID0058778


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	GUBNMFJOJGDCEL-UHFFFAOYSA-N
Smiles	CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl
InChI	InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H36ClNO2
Molecular Weight	345.96
AlogP	4.4
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	7.0
Polar Surface Area	29.54
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	22.0

Pharmacology

Mechanism of Action	Action	Reference
Muscarinic acetylcholine receptor M1 antagonist	ANTAGONIST	ISBN DailyMed


Protein: Muscarinic acetylcholine receptor M1 Description: Muscarinic acetylcholine receptor M1 Organism : Homo sapiens P11229 ENSG00000168539










Protein: Muscarinic acetylcholine receptor M3 Description: Muscarinic acetylcholine receptor M3 Organism : Homo sapiens P20309 ENSG00000133019

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	105

Cross References

Resources	Reference
ChEBI	4515
ChEMBL	CHEMBL1200479
FDA SRS	CQ903KQA31
Guide to Pharmacology	355
KEGG	C06951
PubChem	441344
SureChEMBL	SCHEMBL41670
ZINC	ZINC01530613

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).