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Gene Set: D4 : Boss - nicolane

Collection D4 : Boss
Chemical Name nicolane ( From PubChem : NOSCAPINE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotApprovedNotNotApprovedNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
413.421 g/mol 0 8 2.8197 True
Structure
InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
InChIKey AKNNEGZIBPJZJG-MSOLQXFVSA-N
Links

Gene (8 / 15)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
BOSSText MiningCASP3
BOSSText MiningCYP2C8
BOSSText MiningTUBE1
PubChem PotencyuM0.159CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM0.126CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM1.995CYP3A4-GI(Protien) :
PubChem NoneuMPTGER2-GI(Protien) :
PubChem NoneuMSENP8-GI(Protien) :
ChEMBLAC50nM158.490CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM158.500CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM125.890CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM125.900CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM1995.300CYP3A4
-Target : CHEMBL340
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