PRITELIVIR

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Synonyms
Status
Molecule Category Free-form
UNII 07HQ1TJ4JE
EPA CompTox DTXSID70188344

Structure

InChI Key IVZKZONQVYTCKC-UHFFFAOYSA-N
Smiles Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O
InChI
InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18N4O3S2
Molecular Weight 402.5
AlogP 2.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 106.25
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Helicase/primase inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 12.8-474 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 65.3 - 12.8-474 -
Mus musculus
- 134 - - -
Rattus norvegicus
- 115 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4069597
DrugBank DB11844
FDA SRS 07HQ1TJ4JE
PubChem 491941
SureChEMBL SCHEMBL1074614
ZINC ZINC000003955689
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