didanosine   Click here for help

GtoPdb Ligand ID: 4833

Synonyms: dideoxyinosine | Videx EC®
Approved drug PDB Ligand
didanosine is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Didanosine is an antiretroviral drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 93.03
Molecular weight 236.09
XLogP 1.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1CCC(O1)n1cnc2c1[nH]cnc2=O
Isomeric SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O
InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
InChI Key BXZVVICBKDXVGW-NKWVEPMBSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name Click here for help
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one
International Nonproprietary Names Click here for help
INN number INN
6664 didanosine
Synonyms Click here for help
dideoxyinosine | Videx EC®
Database Links Click here for help
CAS Registry No. 69655-05-6
ChEMBL Ligand CHEMBL1460
DrugBank Ligand DB00900
DrugCentral Ligand 869
GtoPdb PubChem SID 178101535
PubChem CID 50599
RCSB PDB Ligand 2DI
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Wikipedia Didanosine