ACADESINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01EB13
UNII: 53IEF47846

Structure
InChI Key RTRQQBHATOEIAF-UUOKFMHZSA-N
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 2627-69-2
ChEBI 28498
ChEMBL CHEMBL1551724
DrugBank DB04944
DrugCentral 37
EPA CompTox DTXSID5046015
FDA SRS 53IEF47846
Human Metabolome Database HMDB0062179
Guide to Pharmacology 5133
PubChem 17513
SureChEMBL SCHEMBL219336
ZINC ZINC000003798074
CONTENTS