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Gene Set: D4 : CTD - MY 5445

Collection D4 : CTD
Chemical Name MY 5445 ( From PubChem : MY-5445 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
331.798 g/mol 1 2 5.7668 False(3/4)
Structure
InChI InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
InChIKey CEHQLKSLMFIHBF-UHFFFAOYSA-N
Links

Gene (7 / 15)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
CTDincreases(activity)MAPK8
C052490
CTDdecreases(activity)PDE5A
C052490
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem NoneuMCYP1A2-GI(Protien) :
PubChem PotencyuM0.794CYP2C19-GI(Protien) :
PubChem NoneuMCYP2C19-GI(Protien) :
PubChem PotencyuM3.981CYP2C9-GI(Protien) :
PubChem NoneuMCYP2C9-GI(Protien) :
ChEMBLAC50nM1258.930CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM794.330CYP2C19
-Target : CHEMBL3622
ChEMBLPotencynM794.300CYP2C19
-Target : CHEMBL3622
ChEMBLAC50nM3981.070CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM3981.100CYP2C9
-Target : CHEMBL3397
ChEMBLPotencynM31622.800HSD17B10
-Target : CHEMBL4159
ChEMBLPotencynM11220.200KDM4E
-Target : CHEMBL1293226
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