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

General Information of Drug (ID: DR2110)
Drug Name
M-7403
Synonyms
Maltose; Advanctose 100; Cextromaltose; D-(+)-Maltose; D-Maltose; Finetose; Finetose F; GUBGYTABKSRVRQ-QUYVBRFLSA-N; Malt sugar; Maltobiose; Maltodiose; Maltose, pure; R4B6462NGR; Sunmalt; Sunmalt S; beta-D-Cellobiose; beta-maltose; cellobiose; maltose; 4-(alpha-D-Glucosido)-D-glucose; 4-O-alpha-D-Glucopyranosyl-D-glucose; 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose; 69-79-4; AI3-09089; BRN 0093798; CHEBI:18147; D-Glucose, 4-O-alpha-D-glucopyranosyl-; EINECS 200-716-5; UNII-R4B6462NGR; beta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-
Indication Prostate cancer [ICD11: 2C82] Phase 1/2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 342.3 Topological Polar Surface Area 190
Heavy Atom Count 23 Rotatable Bond Count 4
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
6255
PubChem SID
69188 ; 5309774 ; 8137798 ; 8150555 ; 10506762 ; 10525406 ; 10528889 ; 10531314 ; 24438670 ; 24896492 ; 25628510 ; 26758438 ; 56369346 ; 57320109 ; 75611597 ; 81041809 ; 92298619 ; 93619828 ; 99299403 ; 103141050 ; 104294418 ; 117392489 ; 123166382 ; 125352241 ; 125353973 ; 125538705 ; 125538708 ; 125538717 ; 126442223 ; 126677944 ; 128006270 ; 137128024 ; 140346486 ; 152036274 ; 163131145 ; 163688398 ; 164239796 ; 165753885 ; 176254632 ; 176254712 ; 176256903 ; 176270380 ; 176327673 ; 179225857 ; 184587974 ; 223678966 ; 226978293 ; 249935554 ; 252449941
ChEBI ID
CHEBI:18147
CAS Number
69-79-4
TTD Drug ID
D04RYY
Formula
C12H22O11
Canonical SMILES
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
InChI
1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
InChIKey
GUBGYTABKSRVRQ-QUYVBRFLSA-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
LSN3185556 DM005755 N. A. Unclear 1 [7] , [9]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006141 M-7403 LSN3185556 Unclear SI [7], [9]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alpha-glucosidase (aglA) DME1138 Blautia obeum
A0A173ZA10_9FIRM
3.2.1.20
[2]
Cellobiose 2-epimerase (CE) DME1128 Faecalibacterium prausnitzii
A0A173SS24_9FIRM
5.1.3.11
[3]
Cellobiose 2-epimerase (CE) DME1130 Eubacterium siraeum
A0A174ZCD1_9FIRM
5.1.3.11
[3]
Cellobiose 2-epimerase (CE) DME1132 Lachnoclostridium phytofermentans
A9KK53_LACP7
5.1.3.11
[3]
Cellobiose 2-epimerase (CE) DME1134 Ruminococcus albus
CEEP_RUMAL
5.1.3.11
[3]
Cellobiose 2-epimerase (CE) DME1133 Eubacterium cellulosolvens
CEEP_EUBCE
5.1.3.11
[3]
Cellobiose 2-epimerase (CE) DME1129 Coprococcus eutactus
A0A173Z970_9FIRM
5.1.3.11
[3]
Fructokinase (scrK) DME1136 Fusobacterium mortiferum
SCRK_FUSMR
2.7.1.4
[4] , [5]
Maltose phosphorylase (malP) DME1137 Lactobacillus acidophilus
Q5FI04_LACAC
2.4.1.8
[6]
Sucrase-isomaltase intestinal (SI) DME0457 Homo sapiens
SUIS_HUMAN
3.2.1.48
[7]
Unclear metabolic mechanism (DME-unclear) DME1267 Anaerobutyricum hallii Not Available Not Available [8]
⏷ Show the Full List of 11  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Sucrase-isomaltase intestinal (SI) DME0457 Km = 7.1 microM
SUIS_HUMAN
[7]
References
1 ClinicalTrials.gov (NCT01562626) Phase I/II Study of APS001F With Flucytosine and Maltose in Solid Tumors.
2 Novel alpha-glucosidase from human gut microbiome: substrate specificities and their switch. FASEB J. 2010 Oct;24(10):3939-49.
3 Cloning and sequencing of the gene for cellobiose 2-epimerase from a ruminal strain of Eubacterium cellulosolvens. FEMS Microbiol Lett. 2008 Oct;287(1):34-40.
4 Sugar metabolism by fusobacteria: regulation of transport, phosphorylation, and polymer formation by Fusobacterium mortiferum ATCC 25557. Infect Immun. 1991 Dec;59(12):4547-54.
5 Clinical Fusobacterium mortiferum isolates cluster with undifferentiated Clostridium rectum species based on 16S rRNA gene phylogenetic analysis. Ann Clin Lab Sci. 2016 May;46(3):279-81.
6 Rational engineering of Lactobacillus acidophilus NCFM maltose phosphorylase into either trehalose or kojibiose dual specificity phosphorylase. Protein Eng Des Sel. 2010 Oct;23(10):781-7.
7 Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains. J Biol Chem. 2010 Jun 4;285(23):17763-70.
8 Reclassification of Eubacterium hallii as Anaerobutyricum hallii gen. nov., comb. nov., and description of Anaerobutyricum soehngenii sp. nov., a butyrate and propionate-producing bacterium from infant faeces. Int J Syst Evol Microbiol. 2018 Dec;68(12):3741-3746.
9 A phase I and pharmacokinetic study of taladegib, a Smoothened inhibitor, in Japanese patients with advanced solid tumors

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