Synonyms
Status
Molecule Category Free-form
ATC M02AB02
UNII 15OX67P384

Structure

InChI Key YKPUWZUDDOIDPM-VURMDHGXSA-N
Smiles COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O
InChI
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H27NO3
Molecular Weight 305.42
AlogP 3.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 58.56
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Vanilloid receptor agonist AGONIST EMA PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Transient receptor potential channel
28.2 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
28.2 - - - -
Mus musculus
- - - - 79.5

Target Conservation

Protein: Vanilloid receptor

Description: Transient receptor potential cation channel subfamily V member 1

Organism : Homo sapiens

Q8NER1 ENSG00000196689

Related Entries

Cross References

Resources Reference
ChEBI 135952
ChEMBL CHEMBL313971
DrugBank DB09120
DrugCentral 4342
FDA SRS 15OX67P384
PubChem 1548942
SureChEMBL SCHEMBL41210
ZINC ZINC000004468952