Drug General Information
Drug ID
D08GZK
Former ID
DNC011158
Drug Name
EXIGUAMINE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529627]
Structure
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2D MOL

3D MOL

Formula
C25H26ClN5O7
Canonical SMILES
CN1C(=O)C2(C3=C(C4=C5C(C[N+](C5=CC(=C4O2)O)(C)C)O)C(=O)<br />C6=C(C3=O)C(=CN6)CCN)N(C1=O)C.[Cl-]
InChI
1S/C25H25N5O7.ClH/c1-28-23(35)25(29(2)24(28)36)18-17(21(34)19-14(20(18)33)10(5-6-26)8-27-19)16-15-11(7-12(31)22(16)37-25)30(3,4)9-13(15)32;/h7-8,13,32H,5-6,9,26H2,1-4H3,(H-,27,31,33,34);1H/t13-,25-;/m1./s1
InChIKey
SBRGFGRKJMMCLR-KTMIROBJSA-N
PubChem Compound ID
Target and Pathway
Target(s) Indoleamine 2,3-dioxygenase Target Info Inhibitor [529627]
BioCyc Pathway Superpathway of tryptophan utilization
Tryptophan degradation
L-kynurenine degradation
Tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde
NAD de novo biosynthesis
KEGG Pathway Tryptophan metabolism
Metabolic pathways
African trypanosomiasis
NetPath Pathway TSLP Signaling Pathway
IL5 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Tryptophan Metabolism
Reactome Tryptophan catabolism
WikiPathways Tryptophan metabolism
Metabolism of amino acids and derivatives
References
Ref 529627Nat Chem Biol. 2008 Sep;4(9):535-7.Biomimetic synthesis of the IDO inhibitors exiguamine A and B.
Ref 529627Nat Chem Biol. 2008 Sep;4(9):535-7.Biomimetic synthesis of the IDO inhibitors exiguamine A and B.

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