Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3312)
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 Respiratory syncytial virus infection [ICD11: 1C80] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 500.9 Topological Polar Surface Area 83.9
Heavy Atom Count 33 Rotatable Bond Count 7
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
118892432
CAS Number
1383450-81-4
TTD Drug ID
DRH80V
Formula
C21H20ClF3N4O3S
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
JNJ-53718678 M12 DM019809 N. A. Unclear - Unclear 1 [2]
JNJ-53718678 M19 DM019810 N. A. Unclear - Unclear 1 [2]
JNJ-53718678 M37 DM019811 N. A. Unclear - Unclear 1 [2]
JNJ-53718678 M5 DM019808 N. A. Unclear - Unclear 1 [2]
JNJ-53718678 M8 DM019807 N. A. Conjugation - N-Glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012531 JNJ-53718678 JNJ-53718678 M8 Conjugation - N-Glucuronidation Unclear [2]
MR012532 JNJ-53718678 JNJ-53718678 M5 Unclear - Unclear CYP3A4 [2]
MR012533 JNJ-53718678 JNJ-53718678 M12 Unclear - Unclear CYP3A4 [2]
MR012534 JNJ-53718678 JNJ-53718678 M19 Unclear - Unclear CYP3A4 [2]
MR012535 JNJ-53718678 JNJ-53718678 M37 Unclear - Unclear CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
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 Integrating Duodenal Sampling in a Human Mass Balance Study to Quantify the Elimination Pathways of JNJ-53718678, a Respiratory Syncytial Virus Fusion Protein Inhibitor

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