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Gene Set: D4 : TTD - Dicumarol

Collection D4 : TTD
Chemical Name Dicumarol ( From PubChem : CID 653 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
336.295 g/mol 2 6 2.9014 True
Structure
InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,22-23H,9H2
InChIKey KSKRYQVHJQRUNC-UHFFFAOYSA-N
Links

Gene (7 / 14)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorVKORC1Successful target
TTDDrug(s)VKORC1Successful target
PubChem PotencyuM6.310ALDH1A1-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM0.025CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem Ratio Potency (uM)uM2.565ESR1-GI(Protien) :
PubChem Potency-Replicate_1uM5.117ESR1-GI(Protien) :
PubChem Ratio Potency (uM)uM3.616NFE2L2-GI(Protien) :
PubChem Potency-Replicate_1uM7.497NFE2L2-GI(Protien) :
PubChem NoneuMPPARG-GI(Protien) :
ChEMBLPotencynM6309.600ALDH1A1
-Target : CHEMBL3577
ChEMBLAC50nM25.120CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM25.100CYP2C9
-Target : CHEMBL3397
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