DEZOCINE

Search structure
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N02AX03
UNII: VHX8K5SV4X

Structure
InChI Key VTMVHDZWSFQSQP-VBNZEHGJSA-N
Smile C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N
InChI
InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23NO
Molecular Weight 245.37
AlogP 3.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 46.25
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Kappa opioid receptor antagonist ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4474
ChEMBL CHEMBL1685
DrugBank DB01209
DrugCentral 847
EPA CompTox DTXSID2022911
FDA SRS VHX8K5SV4X
Human Metabolome Database HMDB0015340
SureChEMBL SCHEMBL3072
CONTENTS