Drug Information

Drug ID:  NPD1537
Drug Name:  Triiodothyronine
Molecular Formula:  C15H12I3NO4
Canonical SMILES:  OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N
Standard InCHI:  InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Standard InCHIKey:  AUYYCJSJGJYCDS-LBPRGKRZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1537

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 NPC318028
High Similarity 1.0 NPC317741
High Similarity 1.0 NPC328137
High Similarity 1.0 NPC259800
High Similarity 1.0 NPC282087
High Similarity 1.0 NPC318984
High Similarity 1.0 NPC241086
High Similarity 0.9847 NPC326860
High Similarity 0.9847 NPC197239
High Similarity 0.8692 NPC318357
High Similarity 0.8601 NPC17760
High Similarity 0.8538 NPC239697
Intermediate Similarity 0.8462 NPC317784
Intermediate Similarity 0.8462 NPC142638
Intermediate Similarity 0.8308 NPC188867
Intermediate Similarity 0.8308 NPC281686
Intermediate Similarity 0.8308 NPC106551
Intermediate Similarity 0.8143 NPC470392
Intermediate Similarity 0.8069 NPC66518
Intermediate Similarity 0.8058 NPC325651
Intermediate Similarity 0.7955 NPC51345
Intermediate Similarity 0.7941 NPC27581
Intermediate Similarity 0.7868 NPC326079
Intermediate Similarity 0.7842 NPC124776
Intermediate Similarity 0.7737 NPC56634
Intermediate Similarity 0.773 NPC145888
Intermediate Similarity 0.773 NPC161593
Intermediate Similarity 0.773 NPC16031
Intermediate Similarity 0.7721 NPC319950
Intermediate Similarity 0.7721 NPC264976
Intermediate Similarity 0.7692 NPC326966
Intermediate Similarity 0.7692 NPC45191
Intermediate Similarity 0.7681 NPC142577
Intermediate Similarity 0.7677 NPC56635
Intermediate Similarity 0.7639 NPC88667
Intermediate Similarity 0.7537 NPC26524
Intermediate Similarity 0.7448 NPC48909
Intermediate Similarity 0.7424 NPC97811
Intermediate Similarity 0.7413 NPC476353
Intermediate Similarity 0.7397 NPC244866
Intermediate Similarity 0.7394 NPC89630
Intermediate Similarity 0.7379 NPC241354
Intermediate Similarity 0.7368 NPC234639
Intermediate Similarity 0.7368 NPC259554
Intermediate Similarity 0.7361 NPC296712
Intermediate Similarity 0.7347 NPC307289
Intermediate Similarity 0.7338 NPC132771
Intermediate Similarity 0.7299 NPC296526
Intermediate Similarity 0.7297 NPC470441
Intermediate Similarity 0.7292 NPC321561
Intermediate Similarity 0.7266 NPC471033
Intermediate Similarity 0.7266 NPC311091
Intermediate Similarity 0.7248 NPC6913
Intermediate Similarity 0.7246 NPC19290
Intermediate Similarity 0.7246 NPC128249
Intermediate Similarity 0.7237 NPC204546
Intermediate Similarity 0.7222 NPC158900
Intermediate Similarity 0.7197 NPC42383
Intermediate Similarity 0.7192 NPC2596
Intermediate Similarity 0.7192 NPC478147
Intermediate Similarity 0.7178 NPC314725
Intermediate Similarity 0.7178 NPC313375
Intermediate Similarity 0.7163 NPC263835
Intermediate Similarity 0.7163 NPC474874
Intermediate Similarity 0.7153 NPC109241
Intermediate Similarity 0.7152 NPC223616
Intermediate Similarity 0.7143 NPC1065
Intermediate Similarity 0.7132 NPC266932
Intermediate Similarity 0.7132 NPC233238
Intermediate Similarity 0.7125 NPC207675
Intermediate Similarity 0.7125 NPC212699
Intermediate Similarity 0.7111 NPC79543
Intermediate Similarity 0.7105 NPC40321
Intermediate Similarity 0.7103 NPC3221
Intermediate Similarity 0.7103 NPC88403
Intermediate Similarity 0.7093 NPC235194
Intermediate Similarity 0.7092 NPC43275
Intermediate Similarity 0.7083 NPC140359
Intermediate Similarity 0.7083 NPC13020
Intermediate Similarity 0.708 NPC17693
Intermediate Similarity 0.7077 NPC125732
Intermediate Similarity 0.7077 NPC245561
Intermediate Similarity 0.7075 NPC226661
Intermediate Similarity 0.7063 NPC177291
Intermediate Similarity 0.7063 NPC194416
Intermediate Similarity 0.7063 NPC474862
Intermediate Similarity 0.7055 NPC474476
Intermediate Similarity 0.7055 NPC475236
Intermediate Similarity 0.7047 NPC141549
Intermediate Similarity 0.7039 NPC48202
Intermediate Similarity 0.7034 NPC474237
Intermediate Similarity 0.7029 NPC309808
Intermediate Similarity 0.7023 NPC52472
Intermediate Similarity 0.7021 NPC293424
Intermediate Similarity 0.7021 NPC205502
Intermediate Similarity 0.7014 NPC291189
Intermediate Similarity 0.7014 NPC69403
Intermediate Similarity 0.7013 NPC13696
Intermediate Similarity 0.7013 NPC79372
Intermediate Similarity 0.7007 NPC95034
Intermediate Similarity 0.7007 NPC21890
Intermediate Similarity 0.7007 NPC142087
Intermediate Similarity 0.7007 NPC22783
Intermediate Similarity 0.7 NPC243404
Intermediate Similarity 0.7 NPC163398
Remote Similarity 0.6986 NPC168259
Remote Similarity 0.6986 NPC320242
Remote Similarity 0.6986 NPC4164
Remote Similarity 0.6986 NPC280767
Remote Similarity 0.6985 NPC290566
Remote Similarity 0.6985 NPC145638
Remote Similarity 0.698 NPC257390
Remote Similarity 0.698 NPC326599
Remote Similarity 0.698 NPC329595
Remote Similarity 0.698 NPC7569
Remote Similarity 0.698 NPC278787
Remote Similarity 0.698 NPC475102
Remote Similarity 0.698 NPC2989
Remote Similarity 0.6978 NPC235250
Remote Similarity 0.6975 NPC319320
Remote Similarity 0.6975 NPC287757
Remote Similarity 0.697 NPC307425
Remote Similarity 0.6968 NPC310370
Remote Similarity 0.6968 NPC183642
Remote Similarity 0.6966 NPC328267
Remote Similarity 0.6966 NPC473942
Remote Similarity 0.6963 NPC186469
Remote Similarity 0.6962 NPC324081
Remote Similarity 0.6959 NPC201419
Remote Similarity 0.6948 NPC91953
Remote Similarity 0.6943 NPC313414
Remote Similarity 0.6943 NPC9373
Remote Similarity 0.694 NPC473855
Remote Similarity 0.694 NPC13495
Remote Similarity 0.6939 NPC218323
Remote Similarity 0.6934 NPC183700
Remote Similarity 0.6929 NPC301321
Remote Similarity 0.6923 NPC10781
Remote Similarity 0.6923 NPC122493
Remote Similarity 0.6923 NPC14177
Remote Similarity 0.6923 NPC293628
Remote Similarity 0.6918 NPC193805
Remote Similarity 0.6918 NPC95733
Remote Similarity 0.6918 NPC111088
Remote Similarity 0.6918 NPC62101
Remote Similarity 0.6918 NPC221798
Remote Similarity 0.6918 NPC229113
Remote Similarity 0.6917 NPC298224
Remote Similarity 0.6913 NPC238309
Remote Similarity 0.6913 NPC473019
Remote Similarity 0.6912 NPC206341
Remote Similarity 0.6912 NPC31274
Remote Similarity 0.6908 NPC6570
Remote Similarity 0.6908 NPC176814
Remote Similarity 0.6908 NPC4982
Remote Similarity 0.6908 NPC5310
Remote Similarity 0.6908 NPC68779
Remote Similarity 0.6908 NPC300776
Remote Similarity 0.6897 NPC302211
Remote Similarity 0.6897 NPC311219
Remote Similarity 0.6894 NPC107101
Remote Similarity 0.6889 NPC188677
Remote Similarity 0.6889 NPC70843
Remote Similarity 0.6889 NPC113457
Remote Similarity 0.6887 NPC113006
Remote Similarity 0.6887 NPC169766
Remote Similarity 0.6883 NPC197921
Remote Similarity 0.6879 NPC470860
Remote Similarity 0.6879 NPC33717
Remote Similarity 0.6875 NPC139839
Remote Similarity 0.6871 NPC257589
Remote Similarity 0.6871 NPC53305
Remote Similarity 0.6871 NPC29477
Remote Similarity 0.6867 NPC109778
Remote Similarity 0.6867 NPC275538
Remote Similarity 0.6866 NPC38209
Remote Similarity 0.6866 NPC120693
Remote Similarity 0.6866 NPC8931
Remote Similarity 0.6866 NPC261573
Remote Similarity 0.6866 NPC283546
Remote Similarity 0.6863 NPC476018
Remote Similarity 0.6863 NPC113295
Remote Similarity 0.6863 NPC248872
Remote Similarity 0.6863 NPC475029
Remote Similarity 0.6863 NPC475011
Remote Similarity 0.6859 NPC170812
Remote Similarity 0.6859 NPC326065
Remote Similarity 0.6853 NPC61779
Remote Similarity 0.6853 NPC283760
Remote Similarity 0.6849 NPC93730
Remote Similarity 0.6849 NPC248786
Remote Similarity 0.6849 NPC211218
Remote Similarity 0.6849 NPC14141
Remote Similarity 0.6846 NPC2401
Remote Similarity 0.6842 NPC287533
Remote Similarity 0.6839 NPC319870
Remote Similarity 0.6839 NPC73078
Remote Similarity 0.6839 NPC265335
Remote Similarity 0.6839 NPC189724
Remote Similarity 0.6839 NPC469360

Drug Structure

External Identifiers

TTD   DIB010256; DAP000082
DrugBank   DB00279
ChEMBL   CHEMBL1544
IUPHAR/BPS   2634
PharmaGKB   PA164778866
KEGG Drug  
PubChem CID   5920
ChEBI   18258
CAS Number  

Drug Properties

Molecular Weight  650.79
ALogP  2.5615
MLogP  2.23
XLogP  2.213
HDA  3
HBD  3
Rotatable Bonds  11
TPSA  92.78
RO5 Violation  0