metrifudil

Ligand id: 426

Name: metrifudil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 125.55
Molecular weight 371.16
XLogP 1.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
International Nonproprietary Names
INN number INN
2807 metrifudil
Synonyms
TH-322 | Y-341
Database Links
BindingDB Ligand 50080390
CAS Registry No. 23707-33-7 (source: Scifinder)
ChEMBL Ligand CHEMBL331382
PubChem CID 65710
Search Google for chemical match using the InChIKey OOEMZCZWZXHBKW-SCFUHWHPSA-N
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Search UniChem for chemical match using the InChIKey OOEMZCZWZXHBKW-SCFUHWHPSA-N
Search UniChem for chemicals with the same backbone OOEMZCZWZXHBKW