Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X2NH
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| Former ID |
DNC013226
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| Drug Name |
NSC-126445
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| Synonyms |
CHEMBL376528; NSC-126445; BDBM50158382; ZINC118925239
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C34H52N2O2S
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| Canonical SMILES |
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC5C(C)CCCC(C)C)C)C
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| InChI |
1S/C34H52N2O2S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(18-20-33(26,5)32(29)19-21-34(30,31)6)35-36-39(37,38)28-13-10-24(3)11-14-28/h10-11,13-14,22-23,25,29-32,36H,7-9,12,15-21H2,1-6H3/b35-27+/t25-,29+,30-,31+,32+,33+,34-/m1/s1
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| InChIKey |
PDENTDVQTUHVQO-YEDBHZBASA-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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