DICYCLOMINE

Search structure
Synonyms:
Status: Approved (1950)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4KV4X8IF6V

Structure
InChI Key CURUTKGFNZGFSE-UHFFFAOYSA-N
Smile 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
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.182
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -24.85--5.34
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 20590.9 - 16869.7 -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 28000 - - 75
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 2.382 - 0.411 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1210 - 411 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1625 - 1598 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1301 - 1423 -
Membrane receptor
- 1210 - 0.411 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 40040 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4514
ChEMBL CHEMBL1123
DrugBank DB00804
DrugCentral 868
EPA CompTox DTXSID1022926
FDA SRS 4KV4X8IF6V
Human Metabolome Database HMDB14942
Guide to Pharmacology 355
KEGG C06951
PharmGKB PA164744928
PubChem 3042
SureChEMBL SCHEMBL3317
ZINC ZINC000001530613
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