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Gene Set: D4 : Boss - curene 442


Collection D4 : Boss
Chemical Name curene 442 ( From PubChem : 4,4'-METHYLENEBIS(2-CHLOROANILINE) )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
267.154 g/mol 2 2 4.911 True
Structure
InChI InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
InChIKey IBOFVQJTBBUKMU-UHFFFAOYSA-N
Links

Gene (9 / 11)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningC7orf49
BOSSText MiningFLT3LG
PubChem AhR Potency (uM)uM18.684AHR-GI(Protien) :
PubChem Potency-Replicate_1uM23.718AR-GI(Protien) :
PubChem Potency-Replicate_1uM29.613CYP19A1-GI(Protien) :
PubChem PotencyuM5.012CYP3A4-GI(Protien) :
PubChem Potency-Replicate_1uM4.218ESR1-GI(Protien) :
PubChem Ratio Potency (uM)uM31.027ESR1-GI(Protien) :
PubChem Potency-Replicate_1uM42.177NR3C1-GI(Protien) :
PubChem PotencyuM39.811PPARG-GI(Protien) :
ChEMBLPotencynM5011.900CYP3A4
-Target : CHEMBL340
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