MOTOLIMOD

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Synonyms
Status
Molecule Category Free-form
UNII WP6PY72ZH3
EPA CompTox DTXSID10239107

Structure

InChI Key QSPOQCXMGPDIHI-UHFFFAOYSA-N
Smiles CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H34N4O2
Molecular Weight 458.61
AlogP 5.01
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 79.0
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Toll-like receptor 8 agonist AGONIST PubMed

Target Conservation

Protein: Toll-like receptor 8
Description: Toll-like receptor 8
Organism : Homo sapiens
Q9NR97 ENSG00000101916

Cross References

Resources Reference
ChEMBL CHEMBL3301618
DrugBank DB12303
FDA SRS WP6PY72ZH3
Guide to Pharmacology 9026
SureChEMBL SCHEMBL254984
ZINC ZINC000034946588
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