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Gene Set: D4 : TTD - BW 373U86

Collection D4 : TTD
Chemical Name BW 373U86 ( From PubChem : BW 373U86 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
435.602 g/mol 1 5 4.42 True
Structure
InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
InChIKey LBLDMHBSVIVJPM-YZIHRLCOSA-N
Links

Gene (6 / 13)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDAgonistOPRD1Successful target
TTDInhibitorOPRK1Successful target
PubChem PotencyuM3.981CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM12.589CYP3A4-GI(Protien) :
PubChem NoneuMCYP3A4-GI(Protien) :
PubChem PotencyuM11.220HPGD-GI(Protien) :
PubChem NoneuMMAPT-GI(Protien) :
ChEMBLAC50nM3981.070CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM3981.100CYP2C9
-Target : CHEMBL3397
ChEMBLAC50nM12589.200CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM12589.300CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM11220.200HPGD
-Target : CHEMBL1293255
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