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Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : Boss - fema no. 3322

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Collection	D4 : Boss
Chemical Name	fema no. 3322 ( From PubChem : THIAMINE )
FDA NPC WHO Indian Australia China Traditional Herbal Clinical Trail Approved Not Approved Approved Approved Approved Approved Not
Molecular Weight Hydrogen Bond Donor Count Hydrogen Bond Acceptor Count cLogP Lipinski Rule 265.355 g/mol 2 5 1.1889 True
Structure
InChI	InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
InChIKey	JZRWCGZRTZMZEH-UHFFFAOYSA-N
Links
Gene (22 / 22) ⊖ Less	Source Type Unit Value Gene PMID Assay Other BOSS Text Mining ALB BOSS Text Mining ATP1B1 BOSS Text Mining ATP8A2 BOSS Text Mining BBS9 BOSS Text Mining C7orf49 BOSS Text Mining CASP3 BOSS Text Mining DAND5 BOSS Text Mining DDR2 BOSS Text Mining DIANPH BOSS Text Mining GPX1 BOSS Text Mining INS BOSS Text Mining MPO BOSS Text Mining PDC BOSS Text Mining PRDX2 BOSS Text Mining RHO BOSS Text Mining SLC19A3 BOSS Text Mining SLC7A1 BOSS Text Mining SOD1 BOSS Text Mining TNFAIP1 BOSS Text Mining TP53 BOSS Text Mining VIPR1 ChEMBL Potency nM 14581.000 NFE2L2 - Target : CHEMBL1075094
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