ARA-5'-CMP

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Y73692GHI4

Structure
InChI Key IERHLVCPSMICTF-CCXZUQQUSA-N
Smile Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n1
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N3O8P
Molecular Weight 323.2
AlogP -2.45
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 177.36
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 2 D054198 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL596186
DrugBank DB02456
EPA CompTox DTXSID60221012
FDA SRS Y73692GHI4
PDB CAR
SureChEMBL SCHEMBL11217191
ZINC ZINC000001785780
CONTENTS