Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2280)
Drug Name
Dicyclomine
Synonyms
Dicicloverina; Dicicloverina [INN-Spanish]; Dicyclomine Hcl; Dicycloverin; Dicycloverin hydrochloride; Dicycloverine; Dicycloverine (INN); Dicycloverine [INN:BAN]; Dicycloverinum; Dicycloverinum [INN-Latin]; Dicymine; Dicymine (TN); Dilomine (TN); Diocyl; Diocyl hydrochloride; Dyspas; Formulex; Formulex (TN); J.L. 998; Kolantyl hydrochloride; Atumin; Bentomine; Bentyl (TN); Bentyl hydrochloride; Bentylol; Bentylol (TN); Bentylol hydrochloride; Di-Spaz (TN); Di-syntramine; Dibent (TN); Lomine (TN); Mamiesan; Merbentyl; Merbentyl (TN); Oxityl-P; Procyclomin; Sawamin; Spasmoban; Wyovin; Wyovin hydrochloride; (1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester; (BICYCLOHEXYL)-1-CARBOXYLIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE; (Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester; 1-Cyclohexylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester; 2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate; 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride; Beta-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride; Beta-Diethylaminoethyl-1-cyclohexylhexahydrobenzoate hydrochloride; Bicyclohexyl-1-carbonsaeure-2'diethylaminoethylester; Byclomine (TN); Cyclohexanecarboxylic acid, 1-cyclohexyl-, 2-(diethylamino)ethyl ester; Diethylaminocarbethoxybicyclohexyl hydrochloride; GU8471000; [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester; [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride
Indication Irritable bowel syndrome [ICD11: DD91] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 309.5 Topological Polar Surface Area 29.5
Heavy Atom Count 22 Rotatable Bond Count 8
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3042
PubChem SID
9166 ; 579063 ; 5394320 ; 7979069 ; 8151936 ; 10535471 ; 11111098 ; 11112188 ; 11335337 ; 11360576 ; 11363828 ; 11366390 ; 11368952 ; 11371495 ; 11374196 ; 11377114 ; 11461548 ; 11466076 ; 11467196 ; 11484176 ; 11485832 ; 11488406 ; 11490204 ; 11492324 ; 11494748 ; 15048766 ; 29222188 ; 46505371 ; 47440119 ; 47662128 ; 47662129 ; 48034974 ; 48110323 ; 48184864 ; 48259084 ; 48334352 ; 48415886 ; 49698855 ; 49957700 ; 50065186 ; 50100226 ; 50104289 ; 57321573 ; 80483160 ; 85209403 ; 85789477 ; 90341021 ; 96024517 ; 99313632 ; 103318016
ChEBI ID
CHEBI:4514
CAS Number
77-19-0
TTD Drug ID
D07XJM
Formula
C19H35NO2
Canonical SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
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
InChIKey
CURUTKGFNZGFSE-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Dicyclomine M1 PDM007164
7497
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Dicyclomine M2 PDM007165
108911
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Dicyclomine M3 PDM007166 N. A. Conjugation - N-Glucuronidation of tertiary aliphatic amine 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1415 Eggerthella lenta Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1445 Parabacteroides distasonis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1449 Prevotella copri Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1460 Ruminococcus torques Not Available Not Available [2]
⏷ Show the Full List of 7  DME(s)
References
1 Dicyclomine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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