ALANOSINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2CNI71214Y

Structure
InChI Key MLFKVJCWGUZWNV-REOHCLBHSA-N
Smile N[C@@H](CN(O)N=O)C(=O)O
InChI
InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N3O4
Molecular Weight 149.11
AlogP -1.23
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 116.22
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Central Nervous System Neoplasms 1 D016543 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL452715
DrugBank DB05540
FDA SRS 2CNI71214Y
PDB AL0
PubChem 22128
SureChEMBL SCHEMBL17445
ZINC ZINC000004214744
CONTENTS