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

General Information of Drug (ID: DR3225)
Drug Name
GS-5806
Synonyms .
Indication Respiratory syncytial virus infection [ICD11: 1C80] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 532.1 Topological Polar Surface Area 134
Heavy Atom Count 36 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
58029842
CAS Number
1353625-73-6
TTD Drug ID
D0QY1M
Formula
C24H30ClN7O3S
Canonical SMILES
CC1=CN2C(=CC(=N2)[C@@H]3CCCCN3C(=O)C4=C(C=CC(=C4)Cl)NS(=O)(=O)C)N=C1N5CC[C@@H](C5)N
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
InChIKey
GOFXWTVKPWJNGD-UWJYYQICSA-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
Pyrazolo[1,5-a]-pyrimidine heterocycle DM018403 N. A. Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010413 GS-5806 Pyrazolo[1,5-a]-pyrimidine heterocycle Unclear - Unclear Unclear [3]
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]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT02135614) Efficacy, Pharmacokinetics, and Safety of GS-5806 in Hospitalized Adults With Respiratory Syncytial Virus (RSV) Infection. U.S. National Institutes of Health.
2 The Drug-Drug Interaction Profile of Presatovir
3 Discovery of an oral respiratory syncytial virus (RSV) fusion inhibitor (GS-5806) and clinical proof of concept in a human RSV challenge study

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