forodesine

Ligand id: 8272

Name: forodesine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 2
Topological polar surface area 129.64
Molecular weight 267.11
XLogP -1.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
International Nonproprietary Names
INN number INN
8558 forodesine
Synonyms
BCX-1777 | BCX1777 | Fodosine® (proposed trade name) | immucillin H | immucillin-H
Database Links
CAS Registry No. 209799-67-7
ChEBI CHEBI:43362
ChEMBL Ligand CHEMBL218291
PubChem CID 444499
RCSB PDB Ligand IMH
Search Google for chemical match using the InChIKey IWKXDMQDITUYRK-KUBHLMPHSA-N
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Search UniChem for chemical match using the InChIKey IWKXDMQDITUYRK-KUBHLMPHSA-N
Search UniChem for chemicals with the same backbone IWKXDMQDITUYRK
SynPHARM 81910 (in complex with purine nucleoside phosphorylase)
Wikipedia Forodesine
Comments
Forodesine is a picomolar inhibitor of purine nucleoside phosphorylase (PNP) [1-2].