ACADESINE

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Synonyms
Status
Molecule Category Free-form
ATC C01EB13
UNII 53IEF47846
EPA CompTox DTXSID5046015

Structure

InChI Key RTRQQBHATOEIAF-UUOKFMHZSA-N
Smiles NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N
InChI
InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N4O5
Molecular Weight 258.23
AlogP -2.82
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 156.85
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 50.96

Related Entries

Cross References

Resources Reference
ChEBI 28498
ChEMBL CHEMBL1551724
DrugBank DB04944
DrugCentral 37
FDA SRS 53IEF47846
Human Metabolome Database HMDB0062179
Guide to Pharmacology 5133
PubChem 17513
SureChEMBL SCHEMBL219336
ZINC ZINC000003798074
CONTENTS