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Gene Set: D4 : TTD - L-765314


Collection D4 : TTD
Chemical Name L-765314 ( From PubChem : CHEMBL19476 )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
522.596 g/mol 2 11 3.9463 False(2/4)
Structure
InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
InChIKey CGWOIDCAGBKOQL-FQEVSTJZSA-N
Links

Gene (4 / 8)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
TTDInhibitorADRA1AClinical trial target
PubChem PotencyuM3.981CYP3A4-GI(Protien) :
PubChem NoneuMCYP3A4-GI(Protien) :
PubChem PotencyuM12.589THPO-GI(Protien) :
ChEMBLPotencynM3981.100CYP3A4
-Target : CHEMBL340
ChEMBLAC50nM3981.070CYP3A4
-Target : CHEMBL340
ChEMBLPotencynM25118.900HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM12589.300THPO
-Target : CHEMBL1293256
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