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

General Information of Drug (ID: DR2107)
Drug Name
GTPL-3312
Synonyms
L-leucine; L-(+)-Leucine; L-Leuzin; L-Norvaline, 4-methyl-; L-alpha-Aminoisocaproic acid; L-leucin; LEUCINE, L-; Leucin; Leucin [German]; Leucina [INN-Spanish]; Leucina [Latin,Spanish]; Leucine (VAN); Leucine [USAN:INN]; Leucinum; Leucinum [INN-Latin]; leucine; (2S)-2-amino-4-methylpentanoic acid; (2S)-alpha-leucine; (S)-(+)-Leucine; (S)-2-Amino-4-methylpentanoic acid; (S)-2-Amino-4-methylvaleric acid; (S)-Leucine; 2-amino-4-methylvaleric acid; 61-90-5; H-Leu-OH; L-(-)-2-Amino-4-methylpentanoic acid; alpha-Aminoisocaproic acid; leu
Indication Diamond blackfan anemia [ICD11: 3A60] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 131.17 Topological Polar Surface Area 63.3
Heavy Atom Count 9 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
6106
PubChem SID
3423 ; 595259 ; 832925 ; 838753 ; 841561 ; 4253012 ; 6436525 ; 6436533 ; 6436536 ; 6436708 ; 7847098 ; 7888630 ; 8025197 ; 8143308 ; 8153821 ; 10317235 ; 10530134 ; 11459278 ; 11459418 ; 15146625 ; 15218991 ; 24874858 ; 24886442 ; 24896388 ; 24896488 ; 24896510 ; 24901619 ; 26651805 ; 29225114 ; 46391850 ; 46392412 ; 46393330 ; 46507163 ; 46507999 ; 48416162 ; 49747925 ; 49835907 ; 49988821 ; 50108366 ; 57323191 ; 57581300 ; 57581304 ; 57651866 ; 57654329 ; 57654969 ; 57654972 ; 57654976 ; 80033595 ; 81044540 ; 81055047
ChEBI ID
CHEBI:15603
CAS Number
328-38-1
TTD Drug ID
D0W4MZ
Formula
C6H13NO2
Canonical SMILES
CC(C)CC(C(=O)O)N
InChI
1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey
ROHFNLRQFUQHCH-YFKPBYRVSA-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
KIC(a-ketoisocaproate) DM006881 N. A. Unclear 1 [2]
HMB(beta-hydroxy-beta-methylbutyrate) DM006882 N. A. Unclear 2 [2]
Isovaleryl-CoA DM006883 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007479 GTPL-3312 KIC(a-ketoisocaproate) Unclear BCAT [2]
MR007480 KIC(a-ketoisocaproate) HMB(beta-hydroxy-beta-methylbutyrate) Unclear KICD [2]
MR007481 KIC(a-ketoisocaproate) Isovaleryl-CoA Unclear BCKD [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
BCAA transferase (BCAT) DMEN366 Homo sapiens Not Available Not Available [2]
Branched-chain alpha-keto acid dehydrogenase (BCKD) DMEN368 Homo sapiens Not Available Not Available [2]
KIC dioxygenase (KICD) DMEN367 Homo sapiens Not Available Not Available [2]
Leucyl-tRNA synthetase (LARS2) DME0499 Homo sapiens
SYLM_HUMAN
6.1.1.4
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Leucyl-tRNA synthetase (LARS2) DME0499 Km = 0.045 microM
SYLM_HUMAN
[3]
References
1 ClinicalTrials.gov (NCT02386267) L-leucine in Diamond Blackfan Anemia Patients.
2 Leucine Supplementation: A Novel Strategy for Modulating Lipid Metabolism and Energy Homeostasis
3 Expression and characterization of the human mitochondrial leucyl-tRNA synthetase. Biochim Biophys Acta. 2000 Feb 29;1490(3):245-58.

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