Drug Information

General Information
Drug ID
DR00214
Drug Name
L-isoleucine
Synonyms
(2S,3S)-2-Amino-3-methylpentanoic acid; (S)-Isoleucine; (S,S)-Isoleucine; 2-Amino-3-methylvaleric acid; 2S,3S-Isoleucine; 443-79-8; 73-32-5; Acetic acid, amino-sec-butyl-; CCRIS 5229; H-Ile-OH; ISOLEUCINE, L-; Isoleucina [Spanish]; Isoleucine; Isoleucine (VAN); Isoleucinum [Latin]; L-(+)-Isoleucine; L-Ile; L-Norvaline, 3-methyl-, erythro-; Norvaline, 3-methyl-; Pentanoic acid, 2-amino-3-methyl-; Valeric acid, 2-amino-3-methyl-; alpha-Amino-beta-methylvaleric acid; erythro-L-Isoleucine; iso-leucine; l-isoleucine
Drug Type
Small molecular drug
Indication Discovery agent [ICD11:N.A.] Investigative
Structure
3D MOL 2D MOL
Formula
C6H13NO2
Canonical SMILES
CCC(C)C(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
CAS Number
CAS 73-32-5
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
XLogP
-1.7
PubChem CID
6306
PubChem SID
103059667 ,10317510 ,10317646 ,104249752 ,104311679 ,117397136 ,117397137 ,117689351 ,118264757 ,124384995 ,124580847 ,15170678 ,15297247 ,24881234 ,24896006 ,24896013 ,24896065 ,24896115 ,24902116 ,29225298 ,3134463 ,3697 ,46506864 ,49835902 ,49985788 ,57323334 ,57578213 ,57578215 ,57651663 ,57654304 ,595255 ,76061775 ,7847133 ,7888358 ,8025198 ,81044539 ,81067322 ,8138262 ,8143658 ,8153977 ,841560 ,85164889 ,85176936 ,85267076 ,85291370 ,87350314 ,87571564 ,92298276 ,99215114 ,99453073
ChEBI ID
ChEBI:17191
TTD Drug ID
D0I8SK
DT(s) Transporting This Drug LAT3 Transporter Info L-type amino acid transporter 3 Substrate [1]
LAT4 Transporter Info L-type amino acid transporter 4 Substrate [2]
References
1 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.
2 Anticipation of food intake induces phosphorylation switch to regulate basolateral amino acid transporter LAT4 (SLC43A2) function. J Physiol. 2019 Jan;597(2):521-542.

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