Structure

InChI Key VWFCHDSQECPREK-LURJTMIESA-N
Smile Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1
InChI
InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14N3O6P
Molecular Weight 279.19
AlogP -1.66
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 147.9
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cytomegalovirus Retinitis 4 D017726 ClinicalTrials
Cytomegalovirus Infections 3 D003586 ClinicalTrials
Uterine Cervical Dysplasia 2 D002578 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Anus Neoplasms 2 D001005 ClinicalTrials
Papilloma 2 D010212 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Herpes Simplex 1 D006561 ClinicalTrials
Uterine Cervical Neoplasms 1 D002583 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

MCS

Side Effects from Label

Side effects Relative Frequency (%) Labels
Renal and urinary disorders Proteinuria 87.8
Investigations Protein urine present 87.8
Gastrointestinal disorders Nausea 68.7
Gastrointestinal disorders Vomiting 68.7
Investigations Body temperature increased 58.3
Renal and urinary disorders Proteinuria 50.4
Investigations Protein urine present 50.4
General disorders and administration site conditions Asthenia 43.5
Blood and lymphatic system disorders Neutropenia 43.5
Skin and subcutaneous tissue disorders Dermatitis 29.6
Nervous system disorders Headache 29.6
Skin and subcutaneous tissue disorders Rash 29.6
Infections and infestations Infection 27.8
Skin and subcutaneous tissue disorders Alopecia 27.0
Gastrointestinal disorders Diarrhoea 26.1
General disorders and administration site conditions Pain 25.2
Blood and lymphatic system disorders Neutropenia 24.4
Blood and lymphatic system disorders Anaemia 24.3
General disorders and administration site conditions Decreased appetite 22.6
Cardiac disorders Dyspnoea 22.6
General disorders and administration site conditions Chills 21.7
Respiratory, thoracic and mediastinal disorders Cough 19.1
Infections and infestations Candida infection 18.3
Gastrointestinal disorders Oral candidiasis 18.3
Eye disorders Hypotony of eye 17.8
Investigations Body temperature increased 14.1
Infections and infestations Infection 11.9
Infections and infestations Pneumonia 8.89
Cardiac disorders Dyspnoea 8.15
Gastrointestinal disorders Nausea 7.41
Gastrointestinal disorders Vomiting 7.41

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
19.82
Renal and urinary disorders
16.67
General disorders and administration site conditions
15.09
Investigations
6.53
Eye disorders
6.31
Infections and infestations
4.95
Respiratory, thoracic and mediastinal disorders
4.73
Metabolism and nutrition disorders
4.28
Nervous system disorders
4.28
Blood and lymphatic system disorders
2.25
Vascular disorders
2.25

Cross References

Resources Reference
CAS NUMBER 113852-37-2
ChEBI 3696
ChEMBL CHEMBL152
DrugBank DB00369
DrugCentral 639
EPA CompTox DTXSID3043734
FDA SRS 768M1V522C
Human Metabolome Database HMDB0014513
PDB L8P
PharmGKB PA448997
PubChem 60933
SureChEMBL SCHEMBL3948
ZINC ZINC000001530600