DYCLONINE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N01BX02
UNII: 078A24Q30O

Structure
InChI Key BZEWSEKUUPWQDQ-UHFFFAOYSA-N
Smile CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
InChI
InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H27NO2
Molecular Weight 289.42
AlogP 3.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 181 - -
Enzyme Transferase
- - - - 2.31
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -4.56-4.77
Ion channel Voltage-gated ion channel Transient receptor potential channel
- 3200 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 275400 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4724
ChEMBL CHEMBL1201217
DrugBank DB00645
DrugCentral 974
EPA CompTox DTXSID6047864
FDA SRS 078A24Q30O
Human Metabolome Database HMDB14783
Guide to Pharmacology 7173
KEGG C07881
PDB N8R
PharmGKB PA164748037
PubChem 3180
SureChEMBL SCHEMBL25773
ZINC ZINC000001530940
CONTENTS