Drug Information

Drug ID:  NPD6142
Drug Name:  Azilsartan
Molecular Formula:  C25H20N4O5
Canonical SMILES:  CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O
Standard InCHI:  InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
Standard InCHIKey:  KGSXMPPBFPAXLY-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6142

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 0.7749 NPC116622
Intermediate Similarity 0.7727 NPC243850
Intermediate Similarity 0.763 NPC90415
Intermediate Similarity 0.7571 NPC243058
Intermediate Similarity 0.7523 NPC474916
Intermediate Similarity 0.7453 NPC203635
Intermediate Similarity 0.7429 NPC256268
Intermediate Similarity 0.7418 NPC476341
Intermediate Similarity 0.7399 NPC314648
Intermediate Similarity 0.7381 NPC219848
Intermediate Similarity 0.7377 NPC107836
Intermediate Similarity 0.7293 NPC31700
Intermediate Similarity 0.7289 NPC314855
Intermediate Similarity 0.7289 NPC313796
Intermediate Similarity 0.7289 NPC315638
Intermediate Similarity 0.7289 NPC313345
Intermediate Similarity 0.7257 NPC315545
Intermediate Similarity 0.7257 NPC314297
Intermediate Similarity 0.725 NPC94428
Intermediate Similarity 0.725 NPC263937
Intermediate Similarity 0.7217 NPC282247
Intermediate Similarity 0.7188 NPC471944
Intermediate Similarity 0.7162 NPC314834
Intermediate Similarity 0.7155 NPC62995
Intermediate Similarity 0.7097 NPC282103
Intermediate Similarity 0.7047 NPC74619
Intermediate Similarity 0.7008 NPC63109
Remote Similarity 0.6987 NPC98371
Remote Similarity 0.6987 NPC313884
Remote Similarity 0.6955 NPC132329
Remote Similarity 0.6955 NPC278434
Remote Similarity 0.6953 NPC244856
Remote Similarity 0.693 NPC471743
Remote Similarity 0.6923 NPC472207
Remote Similarity 0.6899 NPC1203
Remote Similarity 0.6875 NPC229893
Remote Similarity 0.6872 NPC472844
Remote Similarity 0.6861 NPC138370
Remote Similarity 0.6856 NPC57398
Remote Similarity 0.6851 NPC306644
Remote Similarity 0.6851 NPC236424
Remote Similarity 0.6844 NPC195314
Remote Similarity 0.6842 NPC279589
Remote Similarity 0.6835 NPC267811
Remote Similarity 0.6831 NPC156003
Remote Similarity 0.6828 NPC102008
Remote Similarity 0.6822 NPC477979
Remote Similarity 0.6822 NPC274842
Remote Similarity 0.6816 NPC45048
Remote Similarity 0.6809 NPC153980
Remote Similarity 0.6809 NPC6865
Remote Similarity 0.6795 NPC123839
Remote Similarity 0.6793 NPC322064
Remote Similarity 0.6793 NPC471192
Remote Similarity 0.6781 NPC116555
Remote Similarity 0.6781 NPC266249
Remote Similarity 0.6774 NPC28945
Remote Similarity 0.6774 NPC285343
Remote Similarity 0.6767 NPC471191
Remote Similarity 0.6766 NPC72956
Remote Similarity 0.6765 NPC312645
Remote Similarity 0.6763 NPC220851
Remote Similarity 0.6758 NPC88110
Remote Similarity 0.6753 NPC165599
Remote Similarity 0.675 NPC272174
Remote Similarity 0.6739 NPC54537
Remote Similarity 0.6738 NPC244741
Remote Similarity 0.6738 NPC471155
Remote Similarity 0.6733 NPC295452
Remote Similarity 0.6733 NPC171393
Remote Similarity 0.6728 NPC472842
Remote Similarity 0.6725 NPC81535
Remote Similarity 0.6722 NPC474896
Remote Similarity 0.6721 NPC187145
Remote Similarity 0.6719 NPC471536
Remote Similarity 0.6711 NPC141454
Remote Similarity 0.6709 NPC270241
Remote Similarity 0.6709 NPC89508
Remote Similarity 0.6698 NPC27904
Remote Similarity 0.6695 NPC244425
Remote Similarity 0.6695 NPC15384
Remote Similarity 0.6695 NPC225400
Remote Similarity 0.6695 NPC27041
Remote Similarity 0.6695 NPC242923
Remote Similarity 0.6694 NPC31097
Remote Similarity 0.6682 NPC141612
Remote Similarity 0.6682 NPC17273
Remote Similarity 0.6682 NPC135601
Remote Similarity 0.668 NPC160898
Remote Similarity 0.6667 NPC471194
Remote Similarity 0.6667 NPC470786
Remote Similarity 0.6667 NPC471193
Remote Similarity 0.6667 NPC472538
Remote Similarity 0.6667 NPC471742
Remote Similarity 0.6667 NPC77101
Remote Similarity 0.6667 NPC21429
Remote Similarity 0.6653 NPC471583
Remote Similarity 0.6653 NPC471782
Remote Similarity 0.6653 NPC220852
Remote Similarity 0.6653 NPC157931
Remote Similarity 0.6652 NPC477891
Remote Similarity 0.6639 NPC245756
Remote Similarity 0.6628 NPC472846
Remote Similarity 0.6626 NPC33949
Remote Similarity 0.6626 NPC471762
Remote Similarity 0.6623 NPC280638
Remote Similarity 0.6614 NPC278540
Remote Similarity 0.6609 NPC131887
Remote Similarity 0.6609 NPC295548
Remote Similarity 0.6608 NPC272458
Remote Similarity 0.6594 NPC79356
Remote Similarity 0.6594 NPC472116
Remote Similarity 0.6594 NPC245916
Remote Similarity 0.6594 NPC102592
Remote Similarity 0.6594 NPC470787
Remote Similarity 0.6594 NPC472540
Remote Similarity 0.6594 NPC472539
Remote Similarity 0.6592 NPC472119
Remote Similarity 0.6592 NPC285923
Remote Similarity 0.659 NPC478006
Remote Similarity 0.6585 NPC257851
Remote Similarity 0.6583 NPC177996
Remote Similarity 0.6583 NPC147983
Remote Similarity 0.6581 NPC132539
Remote Similarity 0.6578 NPC473815
Remote Similarity 0.6569 NPC477633
Remote Similarity 0.6565 NPC472541
Remote Similarity 0.6565 NPC472542
Remote Similarity 0.6564 NPC314882
Remote Similarity 0.6559 NPC66777
Remote Similarity 0.6556 NPC471197
Remote Similarity 0.6552 NPC472843
Remote Similarity 0.6549 NPC179896
Remote Similarity 0.6546 NPC89987
Remote Similarity 0.6546 NPC207686
Remote Similarity 0.6543 NPC323969
Remote Similarity 0.6542 NPC478157
Remote Similarity 0.6541 NPC478010
Remote Similarity 0.6541 NPC478009
Remote Similarity 0.6538 NPC98715
Remote Similarity 0.6532 NPC475685
Remote Similarity 0.6529 NPC471198
Remote Similarity 0.6528 NPC471130
Remote Similarity 0.6527 NPC294620
Remote Similarity 0.6527 NPC118940
Remote Similarity 0.6525 NPC225821
Remote Similarity 0.6525 NPC46225
Remote Similarity 0.6524 NPC300183
Remote Similarity 0.6523 NPC178858
Remote Similarity 0.652 NPC324091
Remote Similarity 0.6512 NPC88970
Remote Similarity 0.6504 NPC254762
Remote Similarity 0.6504 NPC472323
Remote Similarity 0.6502 NPC48317
Remote Similarity 0.65 NPC469938
Remote Similarity 0.65 NPC317054
Remote Similarity 0.6498 NPC71238
Remote Similarity 0.6498 NPC258062
Remote Similarity 0.6498 NPC127677
Remote Similarity 0.6494 NPC182222
Remote Similarity 0.6488 NPC472285
Remote Similarity 0.6485 NPC82370
Remote Similarity 0.6484 NPC311451
Remote Similarity 0.6483 NPC82053
Remote Similarity 0.6481 NPC476118
Remote Similarity 0.648 NPC935
Remote Similarity 0.648 NPC267078
Remote Similarity 0.6478 NPC24370
Remote Similarity 0.6478 NPC319232
Remote Similarity 0.6476 NPC288445
Remote Similarity 0.6475 NPC276657
Remote Similarity 0.6473 NPC470317
Remote Similarity 0.6473 NPC470205
Remote Similarity 0.6471 NPC84347
Remote Similarity 0.6471 NPC284102
Remote Similarity 0.6466 NPC212213
Remote Similarity 0.6466 NPC67288
Remote Similarity 0.6466 NPC69843
Remote Similarity 0.6461 NPC248601
Remote Similarity 0.646 NPC194040
Remote Similarity 0.646 NPC160381
Remote Similarity 0.6456 NPC53344
Remote Similarity 0.6454 NPC474357
Remote Similarity 0.6452 NPC476491
Remote Similarity 0.645 NPC472293
Remote Similarity 0.6449 NPC2395
Remote Similarity 0.6447 NPC471196
Remote Similarity 0.6447 NPC471195
Remote Similarity 0.6447 NPC313293
Remote Similarity 0.6447 NPC154339
Remote Similarity 0.6444 NPC470003
Remote Similarity 0.6444 NPC234999
Remote Similarity 0.6442 NPC315467
Remote Similarity 0.6441 NPC473376
Remote Similarity 0.6438 NPC472297
Remote Similarity 0.6438 NPC472296
Remote Similarity 0.6437 NPC235885
Remote Similarity 0.6435 NPC242116
Remote Similarity 0.6435 NPC267343
Remote Similarity 0.6434 NPC218388

Drug Structure

External Identifiers

TTD   DCL000490; DNC011567
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9825285
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  456.14
ALogP  -0.7119
MLogP  3.22
XLogP  6.753
HDA  6
HBD  2
Rotatable Bonds  9
TPSA  115.04
RO5 Violation  1