Structure

InChI Key BXZVVICBKDXVGW-NKWVEPMBSA-N
Smiles O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChI
InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N4O3
Molecular Weight 236.23
AlogP -0.21
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 93.03
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor INHIBITOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
900 300 - - -
Human immunodeficiency virus 1
5.6-5.6 100-490 - - -
Rattus norvegicus
- - - - 48

Related Entries

Environmental Exposure

Countries
South Africa

Cross References

Resources Reference
ChEBI 490877
ChEMBL CHEMBL1460
DrugBank DB00900
DrugCentral 869
FDA SRS K3GDH6OH08
Human Metabolome Database HMDB0015037
Guide to Pharmacology 4833
KEGG C06953
PDB 2DI
PharmGKB PA449301
PubChem 135398739
SureChEMBL SCHEMBL3363
ZINC ZINC000013597823