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

General Information of Drug (ID: DR3536)
Drug Name
Masitinib
Synonyms
Masitinib; 790299-79-5; AB1010; Masatinib; Masitinib (AB1010); Masivet; AB-1010; AB 1010; UNII-M59NC4E26P; Masitinib [INN]; M59NC4E26P; 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide; CHEMBL1908391; CHEBI:63450; Masitinib (INN); N-(4-Methyl-3-((4-(pyridin-3-yl)thiazol-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide; Q-201339; C28H30N6OS; N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
Indication Amyotrophic lateral sclerosis [ICD11: 8B60] Phase 3 [1]
Gastrointestinal stromal tumour [ICD11: ICD11: 2B5B] Phase 3 [2]
Metastatic gastric or gastroesophageal junction cancer [ICD11: ICD11: 2D8Y] Phase 3 [3]
Multiple sclerosis [ICD11: ICD11: 8A40] Phase 3 [4]
Ovarian cancer [ICD11: ICD11: 2C73] Phase 3 [5]
Pancreatic cancer [ICD11: ICD11: 2C10] Phase 3 [6]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 498.6 Topological Polar Surface Area 102
Heavy Atom Count 36 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
10074640
ChEBI ID
CHEBI:63450
CAS Number
790299-79-5
TTD Drug ID
D0MW0N
Formula
C28H30N6OS
Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CN=CC=C5
InChI
InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKey
WJEOLQLKVOPQFV-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
Minium ion intermediate DM019426 N. A. Unclear - Unclear 1 [8]
N-desmethyl masitinib(M485) DM019425 N. A. Unclear - Unclear 1 [7]
MCN538 DM019431 N. A. Unclear - Unclear 2 [9]
Minium ion intermediate DM019426 N. A. Unclear - Unclear 2 [10]
Minium ion intermediate DM019426 N. A. Unclear - Unclear 2 [11]
Reactive iminium ion DM019429 N. A. Unclear - Unclear 2 [12]
MCN510 DM019430 N. A. Unclear - Unclear 3 [13]
MCN524 DM019427 N. A. Unclear - Unclear 3 [14]
MCN524 DM019427 N. A. Unclear - Unclear 3 [15]
MCN526 DM019428 N. A. Unclear - Unclear 4 [16]
MCN526 DM019428 N. A. Unclear - Unclear 4 [17]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011998 Masitinib N-desmethyl masitinib(M485) Unclear - Unclear CYP3A4 ... [7]
MR012004 Masitinib Minium ion intermediate Unclear - Unclear Unclear [8]
MR012005 Minium ion intermediate Minium ion intermediate Unclear - Unclear Unclear [10]
MR012006 Minium ion intermediate MCN538 Unclear - Unclear CYP3A4 ... [9]
MR011999 N-desmethyl masitinib(M485) Minium ion intermediate Unclear - Unclear Unclear [11]
MR012002 N-desmethyl masitinib(M485) Reactive iminium ion Unclear - Unclear Unclear [12]
MR012000 Minium ion intermediate MCN524 Unclear - Unclear CYP3A4 ... [15]
MR012003 Reactive iminium ion MCN510 Unclear - Unclear CYP2C8 [13]
MR012001 MCN524 MCN526 Unclear - Unclear CYP3A4 ... [17]
⏷ Show the Full List of 9 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[7]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[7]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
6 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
7 Cytochromes P450 2C8 and 3A Catalyze the Metabolic Activation of the Tyrosine Kinase Inhibitor Masitinib
8 The effect of child development on the components of the Frequency Following Response: Child development and the Frequency Following Response
9 IgG and IgM Immunohistochemistry in Primary Biliary Cholangitis (PBC) and Autoimmune Hepatitis (AIH) Liver Explants
10 Toll-like receptor-mediated innate immune responses by recognition of the recombinant dormancy-associated Mycobacterium tuberculosis proteins Rv2659c and Rv1738
11 The nanoCUT&RUN technique visualizes telomeric chromatin in Drosophila
12 The global prevalence of female genital mutilation/cutting: A systematic review and meta-analysis of national, regional, facility, and school-based studies
13 Insufficient yet improving involvement of the global south in top sustainability science publications
14 Transient and resident pathogens: Intra-facility genetic diversity of Listeria monocytogenes and Salmonella from food production environments
15 Corrigendum to: Physiologically-based pharmacokinetic modeling to evaluate in vitro-to-in vivo extrapolation for intestinal P-glycoprotein inhibition
16 Meals, Microbiota and Mental Health in Children and Adolescents (MMM-Study): A protocol for an observational longitudinal case-control study
17 Antimicrobial Resistance, Virulence Factor-Encoding Genes, and Biofilm-Forming Ability of Community-Associated Uropathogenic Escherichia coli in Western Saudi Arabia

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