Showing entry for Levothyroxine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0025862
Compound NameLevothyroxine
Structure
FormulaC15H11I4NO4
InchiKeyXUIIKFGFIJCVMT-LBPRGKRZSA-N
SMILESOC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
InchiInChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
IUPAC(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular Weight776.69
Pubchem Id5819
Chembl IdCHEMBL1624
Targets of Information Source
DrugBank DB00451
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P10827 BXGT007623 Thyroid hormone receptor alpha reviewed Nuclear receptor THRA approved agonist
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB approved agonist
P06756 BXGT006499 Integrin alpha-V reviewed - ITGAV approved -
P05106 BXGT006315 Integrin beta-3 reviewed Receptor ITGB3 approved -
PDB T44
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
P02766 BXGT005953 Transthyretin reviewed TTR Transporter - - - -
P02768 BXGT005955 Serum albumin reviewed ALB Transporter - - - -
P02768 BXGT005955 Serum albumin reviewed ALB Transporter - - 4900 -
P02767 BXGT005954 Transthyretin reviewed Ttr - - - - -
Q9PTT3 BXGT021352 Transthyretin unreviewed - - - - -
P10828 BXGT007624 Thyroid hormone receptor beta reviewed THRB Nuclear receptor - - - -
P05543 BXGT006366 Thyroxine-binding globulin reviewed SERPINA7 Enzyme modulator - - - -
Q06S87 BXGT012904 5-hydroxyisourate hydrolase reviewed urah - - - - -
P10827 BXGT007623 Thyroid hormone receptor alpha reviewed THRA Nuclear receptor - - - -
Binding DB 50301375
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed UGT1A1 - 5600 - -
reviewed BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed UGT1A1 - 4900 - -
reviewed BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 - - - 11200
reviewed BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 - - - 100000
reviewed BXGT005953 Transthyretin reviewed Transporter TTR - 2200 - -
reviewed BXGT005953 Transthyretin reviewed Transporter TTR - 2188 - -
reviewed BXGT005953 Transthyretin reviewed Transporter TTR - 10500 - -
reviewed BXGT007766 Proliferating cell nuclear antigen reviewed Nucleic acid binding PCNA - >50000 - -
reviewed BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 - 7860 - -
CHEMBL CHEMBL1624
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Activity - - -
P02767 BXGT005954 Transthyretin reviewed - Ttr Ratio '=' 1 -
P19224 BXGT008468 UDP-glucuronosyltransferase 1-6 reviewed - UGT1A6 Activity '=' 0 pm/min/mg
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 89125 nM
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Inhibition '=' 12 %
P70502 BXGT011672 Solute carrier organic anion transporter family member 1A3 reviewed - Slco1a3 Activity - - -
P26435 BXGT009113 Sodium/bile acid cotransporter reviewed - Slc10a1 Activity - - -
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 Efficacy '=' 105 %
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 50118 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 100000 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Potency - 39810 nM
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Activity '=' 0 pm/min/mg
Q6ZQN7 BXGT016634 Solute carrier organic anion transporter family member 4C1 reviewed - SLCO4C1 IC50 '=' 8000 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Km '=' 3000 nM
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 EC50 '=' 100000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 68589 nM
P22310 BXGT008754 UDP-glucuronosyltransferase 1-4 reviewed - UGT1A4 Activity '=' 0 pm/min/mg
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Concentration '=' 0 M
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 37685 nM
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Activity - - -
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Ratio '=' 1 -
P10827 BXGT007623 Thyroid hormone receptor alpha reviewed Nuclear receptor THRA Ratio '=' 1 -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 54482 nM
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Activity '=' 0 pm/min/mg
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
Q91Y77 BXGT019323 Monocarboxylate transporter 10 reviewed - Slc16a10 Activity - - -
Q9NYB5 BXGT021255 Solute carrier organic anion transporter family member 1C1 reviewed Transporter SLCO1C1 Km '=' 90 nM
P02766 BXGT005953 Transthyretin reviewed Transporter TTR IC50 '=' 10500 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' -13 %
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 112201 nM
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 Activity - - -
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Activity - - -
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 56234 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 44668 nM
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Inhibition '=' 63 %
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 56234 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 10 nM
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 Efficacy '=' 87 %
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Binding affinity '=' 100 -
Q96BD0 BXGT019622 Solute carrier organic anion transporter family member 4A1 reviewed Transporter SLCO4A1 Activity - - -
P46720 BXGT010535 Solute carrier organic anion transporter family member 1A1 reviewed - Slco1a1 Activity - - -
P12004 BXGT007766 Proliferating cell nuclear antigen reviewed Nucleic acid binding PCNA IC50 '>' 50000 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P70502 BXGT011672 Solute carrier organic anion transporter family member 1A3 reviewed - Slco1a3 Km '=' 12000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
Q9QZX8 BXGT021401 Solute carrier organic anion transporter family member 1B2 reviewed - Slco1b2 Activity - - -
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 IC50 '=' 4900 nM
Q8K1P8 BXGT018393 Monocarboxylate transporter 8 reviewed - SLC16A2 Activity '=' 26 %
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 18887 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 89125 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 707 nM
P05543 BXGT006366 Thyroxine-binding globulin reviewed Enzyme modulator SERPINA7 Activity '=' 100 %
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 EC50 - - -
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Activity - - -
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Activity '=' 0 pm/min/mg
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Activity - - -
P02766 BXGT005953 Transthyretin reviewed Transporter TTR IC50 '=' 2187 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 11 %
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 IC50 '=' 7860 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Inhibition '=' 58 %
O35913 BXGT004540 Solute carrier organic anion transporter family member 1A4 reviewed - Slco1a4 Km '=' 6530 nM
Q8K1P8 BXGT018393 Monocarboxylate transporter 8 reviewed - SLC16A2 Activity '=' 69 %
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Potency - 44668 nM
P02766 BXGT005953 Transthyretin reviewed Transporter TTR IC50 '=' 2200 nM
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Inhibition - - -
Q8K1P8 BXGT018393 Monocarboxylate transporter 8 reviewed - SLC16A2 Km '=' 4700 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 39810 nM
Q9ERB5 BXGT020305 Solute carrier organic anion transporter family member 1C1 reviewed - Slco1c1 Km '=' 0 -
Q9BR01 BXGT020115 Sulfotransferase 4A1 reviewed - SULT4A1 Activity - - -
P70502 BXGT011672 Solute carrier organic anion transporter family member 1A3 reviewed - Slco1a3 Km '=' 20200 nM
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 max activation '=' 13 %
O35913 BXGT004540 Solute carrier organic anion transporter family member 1A4 reviewed - Slco1a4 Activity - - -
O88397 BXGT005271 Solute carrier organic anion transporter family member 1A5 reviewed - Slco1a5 Km '=' 4930 nM
O43704 BXGT004615 Sulfotransferase family cytosolic 1B member 1 reviewed - SULT1B1 Activity - - -
P46721 BXGT010536 Solute carrier organic anion transporter family member 1A2 reviewed Transporter SLCO1A2 Km '=' 8000 nM
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 EC50 '=' 11200 nM
P23978 BXGT008937 Sodium- and chloride-dependent GABA transporter 1 reviewed - Slc6a1 Inhibition - - -
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 19952 nM
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Activity '=' 95 %
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 IC50 '=' 5600 nM
P40926 BXGT010207 Malate dehydrogenase, mitochondrial reviewed Enzyme MDH2 IC50 '=' 43600 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03468 Swertia calycina Swertia calycina Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease