PRADEFOVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GZE85Q9Q61

Structure
InChI Key GWNHAOBXDGOXRR-HJFSHJIFSA-N
Smile Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1
InChI
InChI=1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19ClN5O4P
Molecular Weight 423.8
AlogP 3.41
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 114.38
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2096895
DrugBank DB15550
FDA SRS GZE85Q9Q61
PubChem 9604654
SureChEMBL SCHEMBL13680396
ZINC ZINC000003939598
CONTENTS