Details of the Drug

General Information of Drug (ID: DMQHN7I)

Drug Name
L-leucine
Synonyms
leucine; 61-90-5; (S)-2-Amino-4-methylpentanoic acid; H-Leu-OH; (S)-Leucine; (2S)-2-amino-4-methylpentanoic acid; (S)-(+)-Leucine; Leucin; L-Norvaline, 4-methyl-; (S)-2-Amino-4-methylvaleric acid; L-leucin; L-alpha-Aminoisocaproic acid; Leucin [German]; LEUCINE, L-; Leucine (VAN); leu; Leucinum; (2S)-alpha-leucine; L-(-)-2-Amino-4-methylpentanoic acid; 2-amino-4-methylvaleric acid; Leucinum [INN-Latin]; Leucine [USAN:INN]; L-Leuzin; Leucina [INN-Spanish]; Leucina [Latin,Spanish]; alpha-Aminoisocaproic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 131.17
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Hypoglycaemia rs28936370 ABCC8 OTCWQ54I
Chemical Identifiers
Formula
C6H13NO2
IUPAC Name
(2S)-2-amino-4-methylpentanoic acid
Canonical SMILES
CC(C)C[C@@H](C(=O)O)N
InChI
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
Cross-matching ID
PubChem CID
6106
ChEBI ID
CHEMBL291962
CAS Number
61-90-5
UNII
GMW67QNF9C
DrugBank ID
DB00149
TTD ID
D0W4MZ
VARIDT ID
DR00303
INTEDE ID
DR2107
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
L-type amino acid transporter 3 (SLC43A1) DTBMSWG LAT3_HUMAN Substrate [2]
L-type amino acid transporter 4 (SLC43A2) DTK02I1 LAT4_HUMAN Substrate [3]
L-type amino acid transporter 1 (SLC7A5) DT48T0N LAT1_HUMAN Substrate [4]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Leucyl-tRNA synthetase (LARS2)
Main DME 		DEP7BTH SYLM_HUMAN Substrate [5]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amino acid transporter heavy chain SLC3A2 (SLC3A2) OTBR33M9 4F2_HUMAN Regulation of Drug Effects [6]
ATP-binding cassette sub-family C member 8 (ABCC8) OTCWQ54I ABCC8_HUMAN Drug Response
Large neutral amino acids transporter small subunit 2 (SLC7A8) OT8XXVO8 LAT2_HUMAN Regulation of Drug Effects [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3312).
2 Identification of a novel system L amino acid transporter structurally distinct from heterodimeric amino acid transporters. J Biol Chem. 2003 Oct 31;278(44):43838-45.
3 Anticipation of food intake induces phosphorylation switch to regulate basolateral amino acid transporter LAT4 (SLC43A2) function. J Physiol. 2019 Jan;597(2):521-542.
4 Bidirectional transport of amino acids regulates mTOR and autophagy. Cell. 2009 Feb 6;136(3):521-34.
5 Expression and characterization of the human mitochondrial leucyl-tRNA synthetase. Biochim Biophys Acta. 2000 Feb 29;1490(3):245-58.
6 Methylmercury Uptake into BeWo Cells Depends on LAT2-4F2hc, a System L Amino Acid Transporter. Int J Mol Sci. 2017 Aug 8;18(8):1730. doi: 10.3390/ijms18081730.