indoximod   

GtoPdb Ligand ID: 8226

Synonyms: 1-methyl-D-tryptophan | 1MT | D-1MT
Compound class: Synthetic organic
Comment: Indoximod is being investigated for its inhibitory action towards indoleamine 2,3-dioxygenase 1 (IDO1), a L-tryptophan degrading enzyme.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 68.25
Molecular weight 218.11
XLogP -0.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Cc1cn(c2c1cccc2)C)N
Isomeric SMILES OC(=O)[C@@H](Cc1cn(c2c1cccc2)C)N
InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
InChI Key ZADWXFSZEAPBJS-SNVBAGLBSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid
International Nonproprietary Names
INN number INN
9896 indoximod
Synonyms
1-methyl-D-tryptophan | 1MT | D-1MT
Database Links
CAS Registry No. 110117-83-4
ChEMBL Ligand CHEMBL571209
GtoPdb PubChem SID 249565906
PubChem CID 405012
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Tocris
1-Methyl-D-tryptophan
Cat. No. 5698