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Gene Set: D4 : CTD - Semustine

Collection D4 : CTD
Chemical Name Semustine ( From PubChem : SEMUSTINE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotApprovedNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
247.722 g/mol 1 5 2.8878 True
Structure
InChI InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9+
InChIKey FVLVBPDQNARYJU-DTORHVGOSA-N
Links

Gene (6 / 8)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
CTDdecreases(response to substance)BIRC2
D012673
CTDdecreases(reaction)SLC22A2
D012673
CTDincreases(uptake)SLC22A2
D012673
PubChem PotencyuM12.589ALDH1A1-GI(Protien) :
PubChem PotencyuM5.012BRCA1-GI(Protien) :
PubChem Potency-Replicate_1uM26.603ESR1-GI(Protien) :
PubChem NoneuMITGA4-GI(Protien) :
ChEMBLPotencynM12589.300ALDH1A1
-Target : CHEMBL3577
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