DENUFOSOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5PC250KSSH

Structure
InChI Key FPNPSEMJLALQSA-MIYUEGBISA-N
Smile Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1
InChI
InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H27N5O21P4
Molecular Weight 773.32
AlogP -2.87
Hydrogen Bond Acceptor 21.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 14.0
Polar Surface Area 390.27
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 48.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor
140-270 - - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL507282
DrugBank DB04983
FDA SRS 5PC250KSSH
Guide to Pharmacology 1737
PubChem 9875516
ZINC ZINC000085540154
CONTENTS