DICYCLOMINE

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Synonyms
Status
Molecule Category Free-form
UNII 4KV4X8IF6V
EPA CompTox DTXSID1022926

Structure

InChI Key CURUTKGFNZGFSE-UHFFFAOYSA-N
Smiles CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H35NO2
Molecular Weight 309.49
AlogP 4.4
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 75
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 2.47-47.3 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 75
Rattus norvegicus
- - - 2.47-47.3 -

Cross References

Resources Reference
CAS NUMBER 77-19-0
ChEBI 4514
ChEMBL CHEMBL1123
DrugBank DB00804
DrugCentral 868
FDA SRS 4KV4X8IF6V
Human Metabolome Database HMDB0014942
Guide to Pharmacology 355
KEGG C06951
PharmGKB PA164744928
SureChEMBL SCHEMBL3317
ZINC ZINC000001530613
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