Structure

InChI Key AMFDITJFBUXZQN-KUBHLMPHSA-N
Smile Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
InChI
InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N5O3
Molecular Weight 265.27
AlogP -1.73
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 140.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Genome polyprotein inhibitor PubMed PubMed PubMed PubMed ClinicalTrials
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 2600 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Marburg Virus Disease 1 D008379 ClinicalTrials
Fever 1 D005334 ClinicalTrials
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 249503-25-1
ChEMBL CHEMBL1236524
DrugBank DB11676
FDA SRS OLF97F86A7
PDB UA2
PubChem 10445549
SureChEMBL SCHEMBL12468816
ZINC ZINC000013492903