LENABASUM

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII OGN7X90BT8
EPA CompTox DTXSID40900959

Structure

InChI Key YCHYFHOSGQABSW-RTBURBONSA-N
Smiles CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21
InChI
InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36O4
Molecular Weight 400.56
AlogP 6.32
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 66.76
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
927 - - 5.7-170.5 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
927 - - 5.7-170.5 88

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL456341
DrugBank DB12193
FDA SRS OGN7X90BT8
Guide to Pharmacology 9772
PDB AJA
PubChem 3083542
SureChEMBL SCHEMBL26441
ZINC ZINC000001905712
CONTENTS