PRESATOVIR

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Synonyms
Status
Molecule Category Free-form
UNII 9628AJ27JA
EPA CompTox DTXSID201028097

Structure

InChI Key GOFXWTVKPWJNGD-UWJYYQICSA-N
Smiles Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
InChI
InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30ClN7O3S
Molecular Weight 532.07
AlogP 2.97
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 125.93
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Fusion glycoprotein F0 inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Surface antigen
0.1 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human respiratory syncytial virus
0.43-0.43 - - - -
Human respiratory syncytial virus A2
0.1 - - - -
Respiratory syncytial virus
0.1-0.43 - - - -

Cross References

Resources Reference
CAS NUMBER 1353625-73-6
ChEMBL CHEMBL3410450
DrugBank DB12165
FDA SRS 9628AJ27JA
PubChem 58029842
SureChEMBL SCHEMBL2738142
ZINC ZINC000147513579
CONTENTS