Details of the Drug

General Information of Drug (ID: DM4B6H3)

Drug Name

L-isoleucine

Synonyms

l-isoleucine; Isoleucine; 73-32-5; (2S,3S)-2-Amino-3-methylpentanoic acid; H-Ile-OH; (S)-Isoleucine; 2S,3S-Isoleucine; (S,S)-Isoleucine; 2-Amino-3-methylvaleric acid; erythro-L-Isoleucine; L-(+)-Isoleucine; L-Ile; alpha-Amino-beta-methylvaleric acid; 443-79-8; Isoleucine (VAN); Isoleucinum [Latin]; Isoleucina [Spanish]; Valeric acid, 2-amino-3-methyl-; Norvaline, 3-methyl-; L-Norvaline, 3-methyl-, erythro-; ISOLEUCINE, L-; Acetic acid, amino-sec-butyl-; Pentanoic acid, 2-amino-3-methyl-; CCRIS 5229; iso-leucine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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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)

-1.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is absorbed from the small intestine by a sodium dependent active transport process []
Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C6H13NO2
IUPAC Name: (2S,3S)-2-amino-3-methylpentanoic acid
Canonical SMILES: CC[C@H](C)[C@@H](C(=O)O)N
InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N

Cross-matching ID

PubChem CID: 6306
ChEBI ID: CHEBI:17191
CAS Number: 443-79-8
DrugBank ID: DB00167
TTD ID: D0I8SK
VARIDT ID: DR00214

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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: 3311).
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.