TTD | Drug: D08GZK

Drug General Information
Drug ID	D08GZK
Former ID	DNC011158
Drug Name	EXIGUAMINE B
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529627]
Structure		Download 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	49864298
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
WikiPathways	Metabolism of amino acids and derivatives
References
Ref 529627	Nat Chem Biol. 2008 Sep;4(9):535-7.Biomimetic synthesis of the IDO inhibitors exiguamine A and B.
Ref 529627	Nat Chem Biol. 2008 Sep;4(9):535-7.Biomimetic synthesis of the IDO inhibitors exiguamine A and B.

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Drug Information