PIMODIVIR

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Synonyms
Status
Molecule Category Free-form
UNII DFC121MXC3
EPA CompTox DTXSID801028095

Structure

InChI Key JGPXDNKSIXAZEQ-SBBZOCNPSA-N
Smiles O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F
InChI
InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19F2N5O2
Molecular Weight 399.4
AlogP 3.6
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 103.79
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Polymerase basic protein 2 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - - 62-96
Unclassified protein
0.6 - 54 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
H1N1 subtype
4 - - - -
Homo sapiens
- - - - 62-96
Influenza A virus
2 - - - -
Influenza A virus (A/California/07/2009(H1N1))
1.8 - - - -
Influenza A virus (A/Georgia/20/2006(H1N1))
2.6 - - - -
Influenza A virus (A/Mexico/4108/2009(H1N1))
2.7 - - - -
Influenza A virus (A/New York/18/2009(H1N1))
0.59 - - - -
Influenza A virus (A/Puerto Rico/8/34(H1N1))
0.32-2 2 - - 7.1-30
Influenza A virus (A/Texas/48/2009(H1N1))
2.8 - - - -
Influenza A virus (A/WSN/1933(H1N1))
- - 54 - -
Influenza A virus (A/Weiss/1943(H1N1))
0.6 - - - -
unidentified influenza virus
- - 50-70 - -

Cross References

Resources Reference
CAS NUMBER 1629869-44-8
ChEMBL CHEMBL3318007
DrugBank DB14974
FDA SRS DFC121MXC3
SureChEMBL SCHEMBL2128140
ZINC ZINC000098208077
CONTENTS