RESIQUIMOD

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V3DMU7PVXF

Structure
InChI Key BXNMTOQRYBFHNZ-UHFFFAOYSA-N
Smile CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
InChI
InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N4O2
Molecular Weight 314.39
AlogP 2.47
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 86.19
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 2056 - - -
Membrane receptor Toll-like and Il-1 receptors
250-1500 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Oligodendroglioma 2 D009837 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Lymphoma, T-Cell, Cutaneous 2 D016410 ClinicalTrials
Keratosis, Actinic 2 D055623 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Influenza, Human 1 D007251 ClinicalTrials
Carcinoma, Basal Cell 1 D002280 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Hepatitis B, Chronic 1 D019694 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 144875-48-9
ChEBI 36706
ChEMBL CHEMBL383322
DrugBank DB06530
EPA CompTox DTXSID7040603
FDA SRS V3DMU7PVXF
Guide to Pharmacology 5051
PDB RX8
PubChem 159603
SureChEMBL SCHEMBL34159
ZINC ZINC000028572103
CONTENTS