SELGANTOLIMOD

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Synonyms
Status
Molecule Category Free-form
UNII RM4GJT3SMQ

Structure

InChI Key HTCJUBZBSJQWBW-CQSZACIVSA-N
Smiles CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12
InChI
InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20FN5O
Molecular Weight 293.35
AlogP 2.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 96.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Toll-like receptor 8 agonist AGONIST PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors
220 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
220 - - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL4594258
FDA SRS RM4GJT3SMQ
Guide to Pharmacology 10889
PDB U57
PubChem 122585383
SureChEMBL SCHEMBL18109405
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