LENABASUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OGN7X90BT8

Structure
InChI Key YCHYFHOSGQABSW-RTBURBONSA-N
Smile 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 - - 6-32 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatomyositis 3 D003882 ClinicalTrials
Scleroderma, Diffuse 3 D045743 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL456341
DrugBank DB12193
EPA CompTox DTXSID40900959
FDA SRS OGN7X90BT8
Guide to Pharmacology 9772
PDB AJA
PubChem 3083542
SureChEMBL SCHEMBL26441
ZINC ZINC000001905712
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