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Gene Set: D4 : Boss - timolol


Collection D4 : Boss
Chemical Name timolol ( From PubChem : TIMOLOL )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
ApprovedNotApprovedApprovedApprovedApprovedNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
316.42 g/mol 2 8 0.9584 True
Structure
InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
InChIKey BLJRIMJGRPQVNF-JTQLQIEISA-N
Links

Gene (5 / 11)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningCYP2C8
BOSSText MiningFAM188A
BOSSText MiningRHO
PubChem PotencyuM12.589CYP2D6-GI(Protien) :
PubChem PotencyuM31.623CYP2D6-GI(Protien) :
PubChem NoneuMCYP2D6-GI(Protien) :
ChEMBLSelectivity-ADRB1
-Target : CHEMBL213
ChEMBLAC50nM12589.200CYP2D6
-Target : CHEMBL289
ChEMBLAC50nM31622.800CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM12589.300CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM31622.800CYP2D6
-Target : CHEMBL289
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