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Gene Set: D4 : TTD - TC-5619


Collection D4 : TTD
Chemical Name TC-5619 ( From PubChem : CHEMBL2180265 )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
361.437 g/mol 1 5 3.5919 True
Structure
InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21-/m0/s1
InChIKey OXKRFEWMSWPKKV-RXVVDRJESA-N
Links

Gene (4 / 5)


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Source Type Unit Value Gene PMID Assay Other
TTDAgonistCHRNA4Successful target
TTDDrug(s)CHRNA4Successful target
ChEMBLActivity-CYP2C19
-Target : CHEMBL3622
ChEMBLActivity-CYP2E1
-Target : CHEMBL5281
ChEMBLActivity-CYP3A4
-Target : CHEMBL340
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