LERSIVIRINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: R3ZGC15A9A

Structure
InChI Key MCPUZZJBAHRIPO-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL571987
DrugBank DB11649
EPA CompTox DTXSID0057881
FDA SRS R3ZGC15A9A
PDB ZZE
SureChEMBL SCHEMBL508446
ZINC ZINC000001912267
CONTENTS