RESINIFERATOXIN

Search structure
Synonyms:
RTX
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A5O6P1UL4I

Structure
InChI Key DSDNAKHZNJAGHN-GGIHZKEUSA-N
Smile C=C(C)[C@@]12C[C@@H](C)[C@@]34OC(Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2
InChI
InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H40O9
Molecular Weight 628.72
AlogP 4.74
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 120.75
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 46.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Vanilloid receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Pain 1 D010146 ClinicalTrials
Osteoarthritis, Knee 1 D020370 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 57444-62-9
ChEBI 8809
ChEMBL CHEMBL17976
DrugBank DB06515
EPA CompTox DTXSID00894764
FDA SRS A5O6P1UL4I
Guide to Pharmacology 2491
PDB 6EU
PubChem 5702546
SureChEMBL SCHEMBL17792942
ZINC ZINC000004262463
CONTENTS