VESATOLIMOD

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O8M467C50G

Structure
InChI Key VFOKSTCIRGDTBR-UHFFFAOYSA-N
Smile CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2
InChI
InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30N6O2
Molecular Weight 410.52
AlogP 2.79
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 96.61
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Toll-like receptor 7 activator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors
290 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 2 D019694 ClinicalTrials
Hepatitis B, Chronic 2 D019694 ClinicalTrials
Acquired Immunodeficiency Syndrome 2 D000163 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Hepatitis C 1 D006526 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1228585-88-3
ChEMBL CHEMBL2424780
DrugBank DB12687
EPA CompTox DTXSID40153741
FDA SRS O8M467C50G
PDB 9JR
PubChem 46241268
SureChEMBL SCHEMBL10083191
ZINC ZINC000095616590
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