Synonyms
Status
Molecule Category Mixture
UNII 99YXE507IL

Structure

InChI Key SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Smiles C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N5O4P
Molecular Weight 287.22
AlogP -0.05
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 136.38
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase/reverse transcriptase inhibitor INHIBITOR PubMed PubMed
Human immunodeficiency virus type 1 reverse transcriptase inhibitor INHIBITOR PubMed DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis B virus
0.064-840 490-890 - - -
Homo sapiens
- - - - 18.4-33.6
Human immunodeficiency virus
- 380 - - -
Human immunodeficiency virus 1
0-940 380-884.24 - - -
Moloney murine leukemia virus
230 - - - -

Environmental Exposure

Countries
Croatia
Romania
Slovakia
South Africa

Cross References

Resources Reference
CAS NUMBER 206184-49-8
ChEBI 63625
ChEMBL CHEMBL483
DrugBank DB14126
DrugCentral 2592
FDA SRS 99YXE507IL
Human Metabolome Database HMDB0014445
Guide to Pharmacology 10948
PDB TFO
PharmGKB PA10204
PubChem 21146529
SureChEMBL SCHEMBL39724
ZINC ZINC000001543475
CAS NUMBER 206184-49-8
ChEBI 63716
ChEMBL CHEMBL3989702
FDA SRS 99YXE507IL
Guide to Pharmacology 10948
PubChem 21146529
SureChEMBL SCHEMBL3133902