Details of the Drug

General Information of Drug (ID: DMJ1FXL)

Drug Name

JNJ-53718678

Synonyms

Rilematovir; JNJ-678; UNII-NQ99E8OH3P; NQ99E8OH3P; 1383450-81-4; 3-((5-chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one; 3-[[5-Chloranyl-1-(3-Methylsulfonylpropyl)indol-2-Yl]methyl]-1-[2,2,2-Tris(Fluoranyl)ethyl]imidazo[4,5-C]pyridin-2-One; Rilematovir [INN]; CHEMBL4437054; SCHEMBL17529353; HY-112180; CS-0043622; C(CCN1C(=CC2=CC(=CC=C12)Cl)CN1C2=C(N(C1=O)CC(F)(F)F)C=CN=C2)S(=O)(=O)C; 2H-Imidazo(4,5-C)pyridin-2-one, 3-((5-chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-; 3-((5-Chloro-1-(3-methylsulfonylpropyl)indol-2-yl)methyl)-1-(2,2,2-trifluoroethyl)imidazo(4,5-C)pyridin-2-one; 6YA

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): 1

Molecular Weight (mw)

500.9

Topological Polar Surface Area (xlogp)

2.9

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C21H20ClF3N4O3S
IUPAC Name: 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one
Canonical SMILES: CS(=O)(=O)CCCN1C2=C(C=C(C=C2)Cl)C=C1CN3C4=C(C=CN=C4)N(C3=O)CC(F)(F)F
InChI: InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
InChIKey: GTQTUABHRCWVLL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 118892432
CAS Number: 1383450-81-4
TTD ID: DRH80V

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04056611) Effects of JNJ-53718678 in Adult and Adolescent Participants Who Had a Hematopoietic Stem Cell Transplantation and Who Are Infected With Respiratory Syncytial Virus (RSV) (FREESIA). U.S. National Institutes of Health.
2	Antiviral Activity of Oral JNJ-53718678 in Healthy Adult Volunteers Challenged With Respiratory Syncytial Virus: A Placebo-Controlled Study. J Infect Dis. 2018 Jul 24;218(5):748-756.
3	Prospects for the development of fusion inhibitors to treat human respiratory syncytial virus infection. Curr Opin Drug Discov Devel. 2009 Jul;12(4):479-87.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800040470)
6	Motavizumab. Correction in: MAbs. 2010 Sep-Oct; 2(5): 591.
7	A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein. Nat Commun. 2019 Sep 12;10(1):4153.
8	Discovery of an oral respiratory syncytial virus (RSV) fusion inhibitor (GS-5806) and clinical proof of concept in a human RSV challenge study. J Med Chem. 2015 Feb 26;58(4):1630-43.
9	Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion. J Med Chem. 2021 Apr 8;64(7):3658-3676.
10	Respiratory Syncytial Virus Entry Inhibitors Targeting the F Protein. Viruses. 2013 January; 5(1): 211-225.