motolimod   Click here for help

GtoPdb Ligand ID: 9026

Synonyms: VTX-2337
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Motolimod is an investigational Toll-like receptor 8 (TLR8) agonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 79
Molecular weight 458.27
XLogP 4
No. Lipinski's rules broken 0
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Canonical SMILES CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC
Isomeric SMILES CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC
InChI InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10012 motolimod
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 926927-61-9 (source: INN record from proposed list 112)
ChEMBL Ligand CHEMBL3301618
GtoPdb PubChem SID 315661111
PubChem CID 16049404
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UniChem Compound Search for chemical match using the InChIKey QSPOQCXMGPDIHI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QSPOQCXMGPDIHI-UHFFFAOYSA-N