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Gene Set: D4 : TTD - Caffeine

Collection D4 : TTD
Chemical Name Caffeine ( From PubChem : CAFFEINE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotApprovedApprovedNotApprovedApprovedNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
194.191 g/mol 0 6 -1.0293 True
Structure
InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N
Links

Gene (9 / 14)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDAntagonistADORA1Successful target
TTDMultitargetADORA1Successful target
TTDDrug(s)ADORA1Successful target
TTDAntagonistADORA2ASuccessful target
TTDMultitargetADORA2ASuccessful target
TTDDrug(s)ADORA2ASuccessful target
PubChem Potency-Replicate_1uM49.151AR-GI(Protien) :
PubChem Ratio Potency (uM)uM8.095NFE2L2-GI(Protien) :
ChEMBLInhibition-CYP1A2
-Target : CHEMBL3356
ChEMBLInhibition-CYP2C19
-Target : CHEMBL3622
ChEMBLInhibition-CYP2C9
-Target : CHEMBL3397
ChEMBLInhibition-CYP2D6
-Target : CHEMBL289
ChEMBLInhibition-CYP3A4
-Target : CHEMBL340
ChEMBLInhibition-CYP3A4
-Target : CHEMBL340
Download gene sets gmt, text, Detailed text
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