EMIVIRINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: X87G8IX72O

Structure
InChI Key MLILORUFDVLTSP-UHFFFAOYSA-N
Smile CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
InChI
InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N2O3
Molecular Weight 302.37
AlogP 2.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 64.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 reverse transcriptase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
2-20 8-800 - - -

Indications

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

Cross References

Resources Reference
CAS NUMBER 149950-60-7
ChEBI 44143
ChEMBL CHEMBL35033
DrugBank DB08188
EPA CompTox DTXSID80164437
FDA SRS X87G8IX72O
PDB MKC
PubChem 65013
SureChEMBL SCHEMBL140546
ZINC ZINC000001536588
CONTENTS