PRESATOVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9628AJ27JA

Structure
InChI Key GOFXWTVKPWJNGD-UWJYYQICSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Fusion glycoprotein F0 inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Surface antigen
0 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Respiratory Syncytial Virus Infections 2 D018357 ClinicalTrials

Related Entries

Scaffolds

Cross References

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