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Gene Set: D4 : Boss - secacornin

Collection D4 : Boss
Chemical Name secacornin ( From PubChem : ERGOMETRINE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotApprovedNotApprovedApprovedNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
325.405 g/mol 3 4 1.8634 True
Structure
InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1
InChIKey WVVSZNPYNCNODU-XTQGRXLLSA-N
Links

Gene (5 / 7)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningPRL
PubChem Ratio Potency (uM)uM20.511AR-GI(Protien) :
PubChem Potency-Replicate_1uM26.603AR-GI(Protien) :
PubChem NoneuMDRD3-GI(Protien) :
PubChem NoneuMDRD3-GI(Protien) :
PubChem NoneuMHTR1EGI(Protien) :
ChEMBLPotencynM31622.800HSD17B10
-Target : CHEMBL4159
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