Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4JR41A10VP

Structure

InChI Key HZQDCMWJEBCWBR-UUOKFMHZSA-N
Smile NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
InChI
InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N3O6
Molecular Weight 259.22
AlogP -2.7
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 151.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR GMP synthase [glutamine-hydrolyzing] inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Nephrotic Syndrome 3 D009404 ClinicalTrials
Lupus Nephritis 3 D008181 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 50924-49-7
ChEBI 31858
ChEMBL CHEMBL245019
DrugBank DB12617
DrugCentral 3363
EPA CompTox DTXSID8045777
FDA SRS 4JR41A10VP
Human Metabolome Database HMDB0041934
PDB MZR
PubChem 104762
SureChEMBL SCHEMBL7118
ZINC ZINC000003812887