Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08GZK
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| Former ID |
DNC011158
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| Drug Name |
EXIGUAMINE B
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| Synonyms |
CHEMBL1221412
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C25H26N5O7+
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| Canonical SMILES |
CN1C(=O)C2(C3=C(C4=C5C(C[N+](C5=CC(=C4O2)O)(C)C)O)C(=O)C6=C(C3=O)C(=CN6)CCN)N(C1=O)C
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| InChI |
1S/C25H25N5O7/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)/p+1/t13-,25-/m1/s1
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| InChIKey |
YOXFPJITBOPKPN-YMXBGEKHSA-O
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:50657
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Indoleamine 2,3-dioxygenase 1 (IDO1) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Biomimetic synthesis of the IDO inhibitors exiguamine A and B. Nat Chem Biol. 2008 Sep;4(9):535-7. | |||
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