Structure

InChI Key RYMCFYKJDVMSIR-RNFRBKRXSA-N
Smile Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1
InChI
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N3O3S
Molecular Weight 229.26
AlogP -0.59
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 90.37
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 reverse transcriptase inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 160707-69-7
ChEMBL CHEMBL210651
DrugBank DB12855
EPA CompTox DTXSID60166974
FDA SRS K1YX059ML1
PubChem 455041
SureChEMBL SCHEMBL1101075
ZINC ZINC000003779991