LERSIVIRINE

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Synonyms
Status
Molecule Category Free-form
UNII R3ZGC15A9A
EPA CompTox DTXSID0057881

Structure

InChI Key MCPUZZJBAHRIPO-UHFFFAOYSA-N
Smiles CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1
InChI
InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N4O2
Molecular Weight 310.36
AlogP 2.54
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 94.86
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 118-215 624 117 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus
- 4-119 - - -
Human immunodeficiency virus 1
0.005-7.05 118-215 624 117 -

Cross References

Resources Reference
ChEMBL CHEMBL571987
DrugBank DB11649
FDA SRS R3ZGC15A9A
PDB ZZE
SureChEMBL SCHEMBL508446
ZINC ZINC000001912267
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