DSigDB

Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : CTD - 4-phenyl-3-furoxancarbonitrile

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Collection	D4 : CTD
Chemical Name	4-phenyl-3-furoxancarbonitrile ( From PubChem : FUROXAN )
FDA NPC WHO Indian Australia China Traditional Herbal Clinical Trail Not Not Not Not Not Not Not Not
Molecular Weight Hydrogen Bond Donor Count Hydrogen Bond Acceptor Count cLogP Lipinski Rule 187.155 g/mol 0 4 1.64178 True
Structure
InChI	InChI=1S/C9H5N3O2/c10-6-8-9(11-14-12(8)13)7-4-2-1-3-5-7/h1-5H
InChIKey	PMYJGTWUVVVOFO-UHFFFAOYSA-N
Links
Gene (8 / 16) ⊖ Less	Source Type Unit Value Gene PMID Assay Other CTD increases(expression) GCLC C090933 CTD increases(expression) GCLM C090933 CTD increases(expression) NQO1 C090933 PubChem Potency uM 5.012 ALDH1A1 - GI(Protien) : PubChem None uM CYP1A2 - GI(Protien) : PubChem None uM CYP1A2 - GI(Protien) : PubChem Potency uM 12.589 CYP3A4 - GI(Protien) : PubChem None uM CYP3A4 - GI(Protien) : PubChem Potency uM 3.981 THPO - GI(Protien) : PubChem Potency uM 15.849 TP53 - GI(Protien) : ChEMBL Potency nM 5011.900 ALDH1A1 - Target : CHEMBL3577 ChEMBL AC50 nM 398.110 CYP1A2 - Target : CHEMBL3356 ChEMBL AC50 nM 12589.200 CYP3A4 - Target : CHEMBL340 ChEMBL Potency nM 12589.300 CYP3A4 - Target : CHEMBL340 ChEMBL Potency nM 3981.100 THPO - Target : CHEMBL1293256 ChEMBL Potency nM 15848.900 TP53 - Target : CHEMBL4096
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