Drug Information

Drug ID:  NPD1466
Drug Name:  Tafamidis Meglumine
Molecular Formula:  C14H7Cl2NO3.C7H17NO5
Canonical SMILES:  Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Standard InCHI:  InChI=1S/C14H7Cl2NO3.C7H17NO5/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-6H,(H,18,19);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
Standard InCHIKey:  DQJDBUPLRMRBAB-WZTVWXICSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1466

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
Intermediate Similarity 0.8108 NPC314633
Intermediate Similarity 0.7964 NPC184408
Intermediate Similarity 0.7783 NPC39500
Intermediate Similarity 0.7725 NPC469961
Intermediate Similarity 0.7689 NPC161801
Intermediate Similarity 0.7668 NPC118228
Intermediate Similarity 0.7591 NPC321428
Intermediate Similarity 0.7576 NPC274640
Intermediate Similarity 0.7555 NPC205372
Intermediate Similarity 0.7523 NPC230403
Intermediate Similarity 0.7511 NPC144452
Intermediate Similarity 0.7489 NPC131885
Intermediate Similarity 0.7455 NPC187501
Intermediate Similarity 0.744 NPC286195
Intermediate Similarity 0.7403 NPC51388
Intermediate Similarity 0.7383 NPC144381
Intermediate Similarity 0.7371 NPC179287
Intermediate Similarity 0.7362 NPC474688
Intermediate Similarity 0.7333 NPC475844
Intermediate Similarity 0.7304 NPC208084
Intermediate Similarity 0.7288 NPC474701
Intermediate Similarity 0.7234 NPC140296
Intermediate Similarity 0.7232 NPC300156
Intermediate Similarity 0.7225 NPC87413
Intermediate Similarity 0.7205 NPC16066
Intermediate Similarity 0.72 NPC283117
Intermediate Similarity 0.7198 NPC225279
Intermediate Similarity 0.7186 NPC174576
Intermediate Similarity 0.7181 NPC269367
Intermediate Similarity 0.7155 NPC288987
Intermediate Similarity 0.7149 NPC294375
Intermediate Similarity 0.7149 NPC97746
Intermediate Similarity 0.7131 NPC160100
Intermediate Similarity 0.7118 NPC38237
Intermediate Similarity 0.7074 NPC146418
Intermediate Similarity 0.7056 NPC165964
Intermediate Similarity 0.7054 NPC34770
Intermediate Similarity 0.7048 NPC4687
Intermediate Similarity 0.704 NPC128823
Intermediate Similarity 0.7036 NPC185197
Intermediate Similarity 0.7021 NPC280799
Intermediate Similarity 0.7018 NPC39679
Intermediate Similarity 0.7009 NPC298436
Intermediate Similarity 0.7004 NPC58209
Intermediate Similarity 0.7004 NPC45190
Remote Similarity 0.6985 NPC172355
Remote Similarity 0.6979 NPC174760
Remote Similarity 0.6968 NPC475190
Remote Similarity 0.6926 NPC477589
Remote Similarity 0.6926 NPC477587
Remote Similarity 0.6926 NPC220337
Remote Similarity 0.6923 NPC293151
Remote Similarity 0.6923 NPC208364
Remote Similarity 0.6914 NPC209981
Remote Similarity 0.6914 NPC39370
Remote Similarity 0.6897 NPC474428
Remote Similarity 0.6889 NPC220408
Remote Similarity 0.6883 NPC166712
Remote Similarity 0.687 NPC477590
Remote Similarity 0.687 NPC477586
Remote Similarity 0.687 NPC477588
Remote Similarity 0.687 NPC477585
Remote Similarity 0.6857 NPC240384
Remote Similarity 0.6849 NPC194040
Remote Similarity 0.6848 NPC230683
Remote Similarity 0.6842 NPC196449
Remote Similarity 0.6842 NPC314222
Remote Similarity 0.684 NPC325297
Remote Similarity 0.6838 NPC116238
Remote Similarity 0.6831 NPC473186
Remote Similarity 0.6826 NPC249583
Remote Similarity 0.6822 NPC247803
Remote Similarity 0.682 NPC94842
Remote Similarity 0.6814 NPC280714
Remote Similarity 0.6813 NPC173250
Remote Similarity 0.6809 NPC3207
Remote Similarity 0.6804 NPC42591
Remote Similarity 0.6795 NPC232225
Remote Similarity 0.6794 NPC322644
Remote Similarity 0.679 NPC217176
Remote Similarity 0.6787 NPC242928
Remote Similarity 0.678 NPC169402
Remote Similarity 0.6777 NPC194740
Remote Similarity 0.6765 NPC150239
Remote Similarity 0.6763 NPC470018
Remote Similarity 0.6762 NPC102593
Remote Similarity 0.6762 NPC196718
Remote Similarity 0.6753 NPC270918
Remote Similarity 0.6744 NPC303225
Remote Similarity 0.6735 NPC329631
Remote Similarity 0.6727 NPC241025
Remote Similarity 0.6727 NPC116701
Remote Similarity 0.6724 NPC41382
Remote Similarity 0.6723 NPC250448
Remote Similarity 0.6721 NPC6786
Remote Similarity 0.6721 NPC15801
Remote Similarity 0.672 NPC188400
Remote Similarity 0.6719 NPC203373
Remote Similarity 0.671 NPC472286
Remote Similarity 0.671 NPC472287
Remote Similarity 0.6703 NPC9482
Remote Similarity 0.6697 NPC160381
Remote Similarity 0.6696 NPC317572
Remote Similarity 0.6695 NPC54066
Remote Similarity 0.6694 NPC244897
Remote Similarity 0.6693 NPC258048
Remote Similarity 0.6681 NPC308137
Remote Similarity 0.6681 NPC309919
Remote Similarity 0.6681 NPC310211
Remote Similarity 0.6681 NPC46561
Remote Similarity 0.6667 NPC192712
Remote Similarity 0.6667 NPC132539
Remote Similarity 0.6667 NPC168922
Remote Similarity 0.6667 NPC129897
Remote Similarity 0.6667 NPC198503
Remote Similarity 0.6654 NPC120513
Remote Similarity 0.6653 NPC291609
Remote Similarity 0.6653 NPC89508
Remote Similarity 0.6653 NPC267853
Remote Similarity 0.6653 NPC324361
Remote Similarity 0.6652 NPC141454
Remote Similarity 0.6651 NPC118511
Remote Similarity 0.6641 NPC470042
Remote Similarity 0.664 NPC49672
Remote Similarity 0.664 NPC316411
Remote Similarity 0.6639 NPC312645
Remote Similarity 0.6636 NPC470894
Remote Similarity 0.6629 NPC101312
Remote Similarity 0.6624 NPC209769
Remote Similarity 0.6621 NPC478032
Remote Similarity 0.6615 NPC282346
Remote Similarity 0.6614 NPC124300
Remote Similarity 0.6613 NPC35042
Remote Similarity 0.6609 NPC193238
Remote Similarity 0.6599 NPC323198
Remote Similarity 0.6598 NPC74575
Remote Similarity 0.6595 NPC169716
Remote Similarity 0.6591 NPC474798
Remote Similarity 0.6585 NPC315062
Remote Similarity 0.6585 NPC119006
Remote Similarity 0.6582 NPC476287
Remote Similarity 0.6578 NPC227824
Remote Similarity 0.6574 NPC148889
Remote Similarity 0.6568 NPC9894
Remote Similarity 0.6562 NPC67401
Remote Similarity 0.6562 NPC221873
Remote Similarity 0.6561 NPC208522
Remote Similarity 0.6559 NPC49547
Remote Similarity 0.6552 NPC475774
Remote Similarity 0.6552 NPC165599
Remote Similarity 0.6552 NPC476098
Remote Similarity 0.655 NPC112937
Remote Similarity 0.655 NPC472284
Remote Similarity 0.6546 NPC470017
Remote Similarity 0.6535 NPC72715
Remote Similarity 0.6535 NPC310618
Remote Similarity 0.6531 NPC257851
Remote Similarity 0.6525 NPC318068
Remote Similarity 0.6525 NPC470020
Remote Similarity 0.6524 NPC470930
Remote Similarity 0.6518 NPC206186
Remote Similarity 0.6518 NPC260434
Remote Similarity 0.6511 NPC210828
Remote Similarity 0.6511 NPC86834
Remote Similarity 0.651 NPC1608
Remote Similarity 0.651 NPC218388
Remote Similarity 0.6509 NPC57398
Remote Similarity 0.6506 NPC253675
Remote Similarity 0.6502 NPC216612
Remote Similarity 0.6498 NPC473800
Remote Similarity 0.6491 NPC276517
Remote Similarity 0.6488 NPC132642
Remote Similarity 0.6488 NPC323969
Remote Similarity 0.6485 NPC146976
Remote Similarity 0.6484 NPC8467
Remote Similarity 0.6482 NPC72905
Remote Similarity 0.6475 NPC322482
Remote Similarity 0.6473 NPC303658
Remote Similarity 0.6471 NPC472098
Remote Similarity 0.6468 NPC41501
Remote Similarity 0.6468 NPC244741
Remote Similarity 0.6466 NPC470586
Remote Similarity 0.6466 NPC172222
Remote Similarity 0.6463 NPC186351
Remote Similarity 0.6457 NPC142385
Remote Similarity 0.6454 NPC472061
Remote Similarity 0.6454 NPC104712
Remote Similarity 0.6446 NPC473179
Remote Similarity 0.6444 NPC236668
Remote Similarity 0.6435 NPC90229
Remote Similarity 0.6434 NPC473188
Remote Similarity 0.6429 NPC23294
Remote Similarity 0.642 NPC472099
Remote Similarity 0.6407 NPC306376
Remote Similarity 0.6402 NPC118940
Remote Similarity 0.6398 NPC53534
Remote Similarity 0.6397 NPC157931
Remote Similarity 0.6397 NPC478078
Remote Similarity 0.6392 NPC316224
Remote Similarity 0.6389 NPC470022

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  306.98
ALogP  1.0947
MLogP  2.34
XLogP  3.702
HDA  3
HBD  1
Rotatable Bonds  5
TPSA  63.33
RO5 Violation  0