dicyclomine   Click here for help

GtoPdb Ligand ID: 355

Synonyms: Bentyl® | Byclomine®
Approved drug
dicyclomine is an approved drug (FDA (1950))
Compound class: Synthetic organic
Comment: Dicyclomine is a non-selective muscarinic acetylcholine receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 29.54
Molecular weight 309.27
XLogP 5.5
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC
Isomeric SMILES CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC
InChI InChI=1S/C19H35NO2/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
InChI Key CURUTKGFNZGFSE-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M1 receptor Primary target of this compound Hs Antagonist Antagonist 9.1 pKi - 1
pKi 9.1 (Ki 8.3x10-10 M) [1]
M3 receptor Primary target of this compound Hs Antagonist Antagonist 9.0 pKi - 1
pKi 9.0 (Ki 9.3x10-10 M) [1]
M4 receptor Hs Antagonist Antagonist 8.3 pKi - 3
pKi 8.3 (Ki 5x10-9 M) [3]
M2 receptor Hs Antagonist Antagonist 6.6 pKi - 2
pKi 6.6 [2]