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Gene Set: D4 : Boss - timonil

Collection D4 : Boss
Chemical Name timonil ( From PubChem : CARBAMAZEPINE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
ApprovedNotApprovedApprovedNotApprovedNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
236.269 g/mol 1 2 4.1525 True
Structure
InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKey FFGPTBGBLSHEPO-UHFFFAOYSA-N
Links

Gene (47 / 53)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningABCC2
BOSSText MiningACE
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BOSSText MiningC7orf49
BOSSText MiningCA3
BOSSText MiningCD4
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BOSSText MiningCYGB
BOSSText MiningCYP2B6
BOSSText MiningCYP2C8
BOSSText MiningDDR2
BOSSText MiningDSC2
BOSSText MiningEPHX1
BOSSText MiningGYPE
BOSSText MiningHLP
BOSSText MiningHSPG2
BOSSText MiningHTT
BOSSText MiningINS
BOSSText MiningKCNJ11
BOSSText MiningKCNJ3
BOSSText MiningMPO
BOSSText MiningMTR
BOSSText MiningNACC1
BOSSText MiningPLXNA3
BOSSText MiningPOMC
BOSSText MiningPPIG
BOSSText MiningPRRT2
BOSSText MiningREXO1L1P
BOSSText MiningSLC25A20
BOSSText MiningSLC52A2
BOSSText MiningSLC6A3
BOSSText MiningSLC7A1
BOSSText MiningTNF
BOSSText MiningTNFAIP1
BOSSText MiningTRAPPC9
BOSSText MiningTXN
PubChem Ratio Potency (uM)uM4.419AR-GI(Protien) :
PubChem Potency-Replicate_1uM5.354AR-GI(Protien) :
PubChem PotencyuM7.943AR-GI(Protien) :
PubChem Potency-Replicate_1uM11.883AR-GI(Protien) :
PubChem Potency-Replicate_1uM6.740NR3C1-GI(Protien) :
PubChem Ratio Potency (uM)uM7.677NR3C1-GI(Protien) :
PubChem PotencyuM25.119NR3C1-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
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University of Colorado School of Medicine
Aurora, CO 80045, USA

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