Structure

InChI Key RMLUKZWYIKEASN-UHFFFAOYSA-M
Smile Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]
InChI
InChI=1S/C8H11N5O3.Na/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;/h3,14H,1-2,4H2,(H3,9,11,12,15);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N5NaO3
Molecular Weight 247.19
AlogP -0.92
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 119.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human herpesvirus 1 DNA polymerase inhibitor FDA

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Herpes Labialis 3 D006560 ClinicalTrials
Cytomegalovirus Infections 3 D003586 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Multiple Sclerosis 3 D009103 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Keratitis, Herpetic 3 D016849 ClinicalTrials
Herpes Simplex 3 D006561 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Meniere Disease 2 D008575 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Leukemia, Biphenotypic, Acute 1 D015456 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
14.29
General disorders and administration site conditions
11.77
Injury, poisoning and procedural complications
8.17
Skin and subcutaneous tissue disorders
8.14
Psychiatric disorders
6.48
Investigations
6.03
Infections and infestations
6.02
Renal and urinary disorders
5.12
Gastrointestinal disorders
4.85
Vascular disorders
3.64
Respiratory, thoracic and mediastinal disorders
3.34
Immune system disorders
3.29
Eye disorders
3.18
Blood and lymphatic system disorders
2.74
Metabolism and nutrition disorders
2.68
Cardiac disorders
2.14
Musculoskeletal and connective tissue disorders
2.09

Cross References

Resources Reference
ChEMBL CHEMBL1200380
FDA SRS 927L42J563
PubChem 23665721
SureChEMBL SCHEMBL40722