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Gene Set: D4 : TTD - atorvastatin calcium


Collection D4 : TTD
Chemical Name atorvastatin calcium ( From PubChem : ATORVASTATIN CALCIUM )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
ApprovedNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
1155.34 g/mol 6 14 10.1038 False(0/4)
Structure
InChI InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1
InChIKey FQCKMBLVYCEXJB-MNSAWQCASA-L
Links

Gene (7 / 8)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
TTDInhibitorHMGCRSuccessful target
PubChem NoneuMCYP19A1-GI(Protien) :
PubChem Potency-Replicate_1uM29.849ESR1-GI(Protien) :
PubChem Potency-Replicate_1uM13.183NFE2L2-GI(Protien) :
PubChem Potency-Replicate_1uM9.415NR3C1-GI(Protien) :
PubChem NoneuMNR3C1-GI(Protien) :
PubChem NoneuMPPARG-GI(Protien) :
PubChem PotencyuM14.963TDP1-GI(Protien) :
Download gene sets gmt, text, Detailed text
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