General Information of Drug (ID: DMSW5XJ)

Drug Name
RV521
Synonyms
RV521 free base; UNII-KE63TTO7WK; KE63TTO7WK; RV-521; 1903763-82-5 (free base); 1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzo[d]imidazol-2-yl)methyl)-6'-fluorospiro[cyclopropane-1,3'-indolin]-2'-one; 1903763-82-5; Sisunatovir; CHEMBL4297497; SCHEMBL19470916; EX-A4653; RV 521; NCC1=CC2=C(N(C(=N2)CN2C(C3(C4=CC=C(C=C24)F)CC3)=O)CCCC(F)(F)F)C=C1; 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one; Spiro(cyclopropane-1,3'-(3H)indol)-2'(1'H)-one, 1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl)methyl)-6'-fluoro-; WVA
Indication
Disease Entry ICD 11 Status REF
Respiratory syncytial virus infection 1C80 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 446.4
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H22F4N4O
IUPAC Name
1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
Canonical SMILES
C1CC12C3=C(C=C(C=C3)F)N(C2=O)CC4=NC5=C(N4CCCC(F)(F)F)C=CC(=C5)CN
InChI
InChI=1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2
InChIKey
JOPCJJSYRPUEDS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132016492
CAS Number
1903763-82-5
TTD ID
DENO49

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Respiratory syncytial virus protein F (RSV F) TT57ID8 FUS_HRSVA Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03258502) Safety, Pharmacokinetics and Antiviral Activity of RV521 Against RSV. U.S. National Institutes of Health.
2 Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion. J Med Chem. 2021 Apr 8;64(7):3658-3676.