Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03NSJ
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| Former ID |
DNC013230
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| Drug Name |
NSC-45592
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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 |
C22H16N4O7S2
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| Canonical SMILES |
C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O
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| InChI |
1S/C22H16N4O7S2/c27-20-13-12-19(22-18(20)2-1-3-21(22)35(31,32)33)26-25-15-6-4-14(5-7-15)23-24-16-8-10-17(11-9-16)34(28,29)30/h1-13,27H,(H,28,29,30)(H,31,32,33)
|
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| InChIKey |
KRSNYIGWUHIMKB-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Phosphoribosylaminoimidazolecarboxamide formyltransferase (ATIC) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identif... J Med Chem. 2004 Dec 30;47(27):6681-90. | |||
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