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Gene Set: D4 : TTD - A-70108

Collection D4 : TTD
Chemical Name A-70108 ( From PubChem : A-70108 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
271.311 g/mol 3 4 3.1119 True
Structure
InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
InChIKey SUHGRZPINGKYNV-GJZGRUSLSA-N
Links

Gene (6 / 16)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorDRD1Successful target
PubChem PotencyuM1.000CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM6.310CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
PubChem PotencyuM0.291DRD1-GI(Protien) :
PubChem PotencyuM5.012DRD1-GI(Protien) :
PubChem NoneuMSTK33-GI(Protien) :
PubChem PotencyuM6.684TDP1-GI(Protien) :
PubChem PotencyuM9.441TDP1-GI(Protien) :
ChEMBLAC50nM1000.000CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM1000.000CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM6309.570CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM6309.600CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM5011.900DRD1
-Target : CHEMBL2056
ChEMBLPotencynM15848.900KDM4E
-Target : CHEMBL1293226
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