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

General Information of Drug (ID: DR3378)
Drug Name
JNJ-54861911
Synonyms .
Indication Alzheimer disease [ICD11: 8A20] Phase 2/3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 367.4 Topological Polar Surface Area 130
Heavy Atom Count 26 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
68254185
CAS Number
1200493-78-2
TTD Drug ID
D0T2FP
Formula
C18H14FN5OS
Canonical SMILES
C[C@]1(C=CSC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F
InChI
InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
InChIKey
VLLFGVHGKLDDLW-SFHVURJKSA-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
Atabecestat epoxide DM018469 N. A. Unclear - Unclear 1 [2]
DIAT DM016280
68267170
Unclear - Unclear 1 [2]
JNJ-54861911 Metabolite M1 DM018470 N. A. Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010492 JNJ-54861911 Atabecestat epoxide Unclear - Unclear Unclear [2]
MR010493 JNJ-54861911 DIAT Unclear - Unclear CES [2]
MR010494 JNJ-54861911 JNJ-54861911 Metabolite M1 Unclear - Unclear Unclear [2]
References
1 ClinicalTrials.gov (NCT02569398) An Efficacy and Safety Study of JNJ-54861911 in Participants Who Are Asymptomatic at Risk for Developing Alzheimer's Dementia.
2 Drug-specific T-cell responses in patients with liver injury following treatment with the BACE inhibitor atabecestat

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.