Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01XX16
UNII: OD5Q0L447W

Structure

InChI Key MXWHMTNPTTVWDM-NXOFHUPFSA-N
Smile CC(/C=N/N=C(N)N)=N\N=C(N)N
InChI
InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12N8
Molecular Weight 184.21
AlogP -2.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 153.52
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 1000 - - -
Enzyme
- 1000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 3 D008223 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 459-86-9
ChEBI 43996
ChEMBL CHEMBL216913
DrugBank DB12967
DrugCentral 3362
FDA SRS OD5Q0L447W
PDB MGB
PubChem 76961227
SureChEMBL SCHEMBL8454
ZINC ZINC000004557060