Drug Information

Drug ID:  NPD1522
Drug Name:  Levothyroxine
Molecular Formula:  C15H11I4NO4
Canonical SMILES:  OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
Standard InCHI:  InChI=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
Standard InCHIKey:  XUIIKFGFIJCVMT-LBPRGKRZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1522

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC197239
High Similarity 1.0 NPC326860
High Similarity 0.9847 NPC317741
High Similarity 0.9847 NPC328137
High Similarity 0.9847 NPC282087
High Similarity 0.9847 NPC259800
High Similarity 0.9847 NPC241086
High Similarity 0.9847 NPC318984
High Similarity 0.9847 NPC318028
High Similarity 0.855 NPC318357
Intermediate Similarity 0.8472 NPC17760
Intermediate Similarity 0.8462 NPC317784
Intermediate Similarity 0.8462 NPC142638
Intermediate Similarity 0.8397 NPC239697
Intermediate Similarity 0.8168 NPC281686
Intermediate Similarity 0.8168 NPC188867
Intermediate Similarity 0.8168 NPC106551
Intermediate Similarity 0.8014 NPC470392
Intermediate Similarity 0.7945 NPC66518
Intermediate Similarity 0.7929 NPC325651
Intermediate Similarity 0.7842 NPC124776
Intermediate Similarity 0.782 NPC51345
Intermediate Similarity 0.781 NPC27581
Intermediate Similarity 0.7737 NPC56634
Intermediate Similarity 0.7737 NPC326079
Intermediate Similarity 0.7606 NPC16031
Intermediate Similarity 0.7606 NPC161593
Intermediate Similarity 0.7606 NPC145888
Intermediate Similarity 0.7591 NPC319950
Intermediate Similarity 0.7591 NPC264976
Intermediate Similarity 0.7569 NPC45191
Intermediate Similarity 0.7569 NPC326966
Intermediate Similarity 0.7564 NPC56635
Intermediate Similarity 0.7554 NPC142577
Intermediate Similarity 0.7517 NPC88667
Intermediate Similarity 0.7407 NPC26524
Intermediate Similarity 0.7329 NPC48909
Intermediate Similarity 0.7293 NPC97811
Intermediate Similarity 0.7292 NPC476353
Intermediate Similarity 0.7279 NPC244866
Intermediate Similarity 0.7273 NPC89630
Intermediate Similarity 0.726 NPC241354
Intermediate Similarity 0.7241 NPC296712
Intermediate Similarity 0.7239 NPC259554
Intermediate Similarity 0.7239 NPC234639
Intermediate Similarity 0.723 NPC307289
Intermediate Similarity 0.7226 NPC132771
Intermediate Similarity 0.7181 NPC470441
Intermediate Similarity 0.7174 NPC296526
Intermediate Similarity 0.7172 NPC321561
Intermediate Similarity 0.7143 NPC311091
Intermediate Similarity 0.7143 NPC471033
Intermediate Similarity 0.7133 NPC6913
Intermediate Similarity 0.7124 NPC204546
Intermediate Similarity 0.7122 NPC19290
Intermediate Similarity 0.7122 NPC128249
Intermediate Similarity 0.7117 NPC158900
Intermediate Similarity 0.7105 NPC40321
Intermediate Similarity 0.7075 NPC2596
Intermediate Similarity 0.7075 NPC478147
Intermediate Similarity 0.7073 NPC314725
Intermediate Similarity 0.7073 NPC313375
Intermediate Similarity 0.7068 NPC42383
Intermediate Similarity 0.7042 NPC263835
Intermediate Similarity 0.7042 NPC474874
Intermediate Similarity 0.7039 NPC223616
Intermediate Similarity 0.7034 NPC474237
Intermediate Similarity 0.7029 NPC109241
Intermediate Similarity 0.7019 NPC212699
Intermediate Similarity 0.7019 NPC207675
Intermediate Similarity 0.7015 NPC1065
Intermediate Similarity 0.7007 NPC266932
Intermediate Similarity 0.7007 NPC233238
Intermediate Similarity 0.7 NPC243404
Remote Similarity 0.6994 NPC235194
Remote Similarity 0.6986 NPC3221
Remote Similarity 0.6986 NPC88403
Remote Similarity 0.6985 NPC79543
Remote Similarity 0.6972 NPC43275
Remote Similarity 0.6966 NPC13020
Remote Similarity 0.6966 NPC140359
Remote Similarity 0.6959 NPC226661
Remote Similarity 0.6957 NPC17693
Remote Similarity 0.6947 NPC245561
Remote Similarity 0.6947 NPC125732
Remote Similarity 0.6944 NPC474862
Remote Similarity 0.6944 NPC194416
Remote Similarity 0.6944 NPC177291
Remote Similarity 0.6939 NPC475236
Remote Similarity 0.6939 NPC474476
Remote Similarity 0.6933 NPC141549
Remote Similarity 0.6928 NPC48202
Remote Similarity 0.6906 NPC309808
Remote Similarity 0.6903 NPC79372
Remote Similarity 0.6903 NPC13696
Remote Similarity 0.6901 NPC205502
Remote Similarity 0.6901 NPC293424
Remote Similarity 0.6897 NPC69403
Remote Similarity 0.6897 NPC291189
Remote Similarity 0.6897 NPC302211
Remote Similarity 0.6894 NPC52472
Remote Similarity 0.6892 NPC22783
Remote Similarity 0.6892 NPC142087
Remote Similarity 0.6892 NPC95034
Remote Similarity 0.6884 NPC21890
Remote Similarity 0.6879 NPC163398
Remote Similarity 0.6871 NPC168259
Remote Similarity 0.6871 NPC320242
Remote Similarity 0.6871 NPC287757
Remote Similarity 0.6871 NPC4164
Remote Similarity 0.6871 NPC280767
Remote Similarity 0.6871 NPC319320
Remote Similarity 0.6867 NPC326599
Remote Similarity 0.6867 NPC278787
Remote Similarity 0.6867 NPC257390
Remote Similarity 0.6867 NPC329595
Remote Similarity 0.6867 NPC475102
Remote Similarity 0.6867 NPC7569
Remote Similarity 0.6867 NPC2989
Remote Similarity 0.6861 NPC290566
Remote Similarity 0.6861 NPC145638
Remote Similarity 0.6859 NPC183642
Remote Similarity 0.6859 NPC310370
Remote Similarity 0.6857 NPC235250
Remote Similarity 0.6855 NPC324081
Remote Similarity 0.6849 NPC328267
Remote Similarity 0.6849 NPC473942
Remote Similarity 0.6846 NPC201419
Remote Similarity 0.6842 NPC307425
Remote Similarity 0.6839 NPC91953
Remote Similarity 0.6839 NPC470709
Remote Similarity 0.6838 NPC186469
Remote Similarity 0.6835 NPC313414
Remote Similarity 0.6835 NPC9373
Remote Similarity 0.6828 NPC187868
Remote Similarity 0.6824 NPC218323
Remote Similarity 0.6821 NPC258073
Remote Similarity 0.6815 NPC473855
Remote Similarity 0.6815 NPC13495
Remote Similarity 0.6812 NPC183700
Remote Similarity 0.6809 NPC301321
Remote Similarity 0.6806 NPC14177
Remote Similarity 0.6803 NPC221798
Remote Similarity 0.6803 NPC62101
Remote Similarity 0.6803 NPC193805
Remote Similarity 0.6803 NPC95733
Remote Similarity 0.6803 NPC229113
Remote Similarity 0.6803 NPC111088
Remote Similarity 0.68 NPC473019
Remote Similarity 0.68 NPC238309
Remote Similarity 0.6797 NPC5310
Remote Similarity 0.6797 NPC176814
Remote Similarity 0.6797 NPC68779
Remote Similarity 0.6797 NPC300776
Remote Similarity 0.6797 NPC6570
Remote Similarity 0.6797 NPC4982
Remote Similarity 0.6794 NPC122493
Remote Similarity 0.6794 NPC293628
Remote Similarity 0.6794 NPC10781
Remote Similarity 0.6791 NPC298224
Remote Similarity 0.6788 NPC31274
Remote Similarity 0.6788 NPC206341
Remote Similarity 0.6781 NPC311219
Remote Similarity 0.6776 NPC169766
Remote Similarity 0.6776 NPC113006
Remote Similarity 0.6774 NPC197921
Remote Similarity 0.677 NPC139839
Remote Similarity 0.6767 NPC107101
Remote Similarity 0.6765 NPC70843
Remote Similarity 0.6765 NPC113457
Remote Similarity 0.6765 NPC188677
Remote Similarity 0.6761 NPC470860
Remote Similarity 0.6761 NPC33717
Remote Similarity 0.6757 NPC257589
Remote Similarity 0.6757 NPC53305
Remote Similarity 0.6757 NPC29477
Remote Similarity 0.6755 NPC275538
Remote Similarity 0.6755 NPC109778
Remote Similarity 0.6753 NPC476018
Remote Similarity 0.6753 NPC475011
Remote Similarity 0.6753 NPC475029
Remote Similarity 0.6753 NPC248872
Remote Similarity 0.6753 NPC113295
Remote Similarity 0.6752 NPC326065
Remote Similarity 0.6752 NPC170812
Remote Similarity 0.6741 NPC38209
Remote Similarity 0.6741 NPC8931
Remote Similarity 0.6741 NPC261573
Remote Similarity 0.6741 NPC120693
Remote Similarity 0.6741 NPC283546
Remote Similarity 0.6736 NPC283760
Remote Similarity 0.6736 NPC61779
Remote Similarity 0.6735 NPC248786
Remote Similarity 0.6735 NPC93730
Remote Similarity 0.6735 NPC211218
Remote Similarity 0.6735 NPC14141
Remote Similarity 0.6733 NPC2401
Remote Similarity 0.6732 NPC287533
Remote Similarity 0.6731 NPC469360
Remote Similarity 0.6731 NPC189724

Drug Structure

External Identifiers

TTD   DAP000083
DrugBank   DB00451
ChEMBL   CHEMBL1624
IUPHAR/BPS   2635
PharmaGKB   PA450221
KEGG Drug   D08125
PubChem CID   5819
ChEBI   18332
CAS Number  51-48-9

Drug Properties

Molecular Weight  776.69
ALogP  3.9816
MLogP  2.12
XLogP  2.847
HDA  3
HBD  3
Rotatable Bonds  12
TPSA  92.78
RO5 Violation  0