Drug Information

Drug ID:  NPD5523
Drug Name:  Eprosartan Mesylate
Molecular Formula:  C23H24N2O4S.CH4O3S
Canonical SMILES:  CS(=O)(=O)O.CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)Cc1cccs1
Standard InCHI:  InChI=1S/C23H24N2O4S.CH4O3S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;1-5(2,3)4/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);1H3,(H,2,3,4)/b18-12+;
Standard InCHIKey:  DJSLTDBPKHORNY-XMMWENQYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5523

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 0.7209 NPC54537
Intermediate Similarity 0.7026 NPC116622
Remote Similarity 0.6991 NPC474916
Remote Similarity 0.6941 NPC57398
Remote Similarity 0.6895 NPC41982
Remote Similarity 0.6844 NPC242923
Remote Similarity 0.6833 NPC143325
Remote Similarity 0.6798 NPC62995
Remote Similarity 0.679 NPC477420
Remote Similarity 0.679 NPC477418
Remote Similarity 0.6787 NPC150447
Remote Similarity 0.6736 NPC39092
Remote Similarity 0.6711 NPC282247
Remote Similarity 0.6653 NPC74619
Remote Similarity 0.6653 NPC323244
Remote Similarity 0.665 NPC41717
Remote Similarity 0.6598 NPC171393
Remote Similarity 0.6598 NPC295452
Remote Similarity 0.658 NPC147983
Remote Similarity 0.658 NPC177996
Remote Similarity 0.6567 NPC308906
Remote Similarity 0.6548 NPC63109
Remote Similarity 0.6542 NPC328924
Remote Similarity 0.6533 NPC75498
Remote Similarity 0.6481 NPC476341
Remote Similarity 0.6478 NPC54981
Remote Similarity 0.6444 NPC469308
Remote Similarity 0.6435 NPC285923
Remote Similarity 0.6387 NPC229893
Remote Similarity 0.636 NPC472259
Remote Similarity 0.6359 NPC207851
Remote Similarity 0.6349 NPC156003
Remote Similarity 0.6348 NPC116555
Remote Similarity 0.6348 NPC71238
Remote Similarity 0.6347 NPC133782
Remote Similarity 0.6347 NPC144474
Remote Similarity 0.6347 NPC527
Remote Similarity 0.6347 NPC278434
Remote Similarity 0.634 NPC267811
Remote Similarity 0.6339 NPC272483
Remote Similarity 0.6338 NPC317054
Remote Similarity 0.6338 NPC469938
Remote Similarity 0.6336 NPC82370
Remote Similarity 0.6318 NPC472289
Remote Similarity 0.6313 NPC243058
Remote Similarity 0.631 NPC478030
Remote Similarity 0.6309 NPC471603
Remote Similarity 0.6305 NPC282531
Remote Similarity 0.629 NPC83111
Remote Similarity 0.6288 NPC473376
Remote Similarity 0.6284 NPC203635
Remote Similarity 0.6277 NPC266249
Remote Similarity 0.6271 NPC12100
Remote Similarity 0.6256 NPC282103
Remote Similarity 0.6256 NPC101676
Remote Similarity 0.6255 NPC69843
Remote Similarity 0.625 NPC280638
Remote Similarity 0.625 NPC93390
Remote Similarity 0.625 NPC256268
Remote Similarity 0.6245 NPC138562
Remote Similarity 0.6239 NPC118940
Remote Similarity 0.6234 NPC243850
Remote Similarity 0.6227 NPC90415
Remote Similarity 0.6226 NPC77101
Remote Similarity 0.6223 NPC123839
Remote Similarity 0.6218 NPC250178
Remote Similarity 0.6217 NPC257511
Remote Similarity 0.6211 NPC81535
Remote Similarity 0.6204 NPC219848
Remote Similarity 0.6203 NPC472285
Remote Similarity 0.6203 NPC238945
Remote Similarity 0.6195 NPC473814
Remote Similarity 0.6195 NPC78767
Remote Similarity 0.6195 NPC141454
Remote Similarity 0.6182 NPC49051
Remote Similarity 0.6182 NPC295158
Remote Similarity 0.6178 NPC202812
Remote Similarity 0.6175 NPC477805
Remote Similarity 0.6175 NPC477796
Remote Similarity 0.6175 NPC477795
Remote Similarity 0.6175 NPC477806
Remote Similarity 0.617 NPC6865
Remote Similarity 0.617 NPC153980
Remote Similarity 0.6167 NPC212213
Remote Similarity 0.6165 NPC469975
Remote Similarity 0.6145 NPC314056
Remote Similarity 0.614 NPC477633
Remote Similarity 0.6136 NPC46895
Remote Similarity 0.6134 NPC27041
Remote Similarity 0.6128 NPC72956
Remote Similarity 0.6121 NPC91895
Remote Similarity 0.6116 NPC138370
Remote Similarity 0.6113 NPC220852
Remote Similarity 0.6111 NPC61038
Remote Similarity 0.6107 NPC107160
Remote Similarity 0.6107 NPC187145
Remote Similarity 0.6093 NPC273532
Remote Similarity 0.6092 NPC36405
Remote Similarity 0.6091 NPC161143
Remote Similarity 0.6087 NPC471944
Remote Similarity 0.6083 NPC48317
Remote Similarity 0.6081 NPC62749
Remote Similarity 0.6076 NPC54744
Remote Similarity 0.6075 NPC478013
Remote Similarity 0.6061 NPC211813
Remote Similarity 0.6055 NPC64436
Remote Similarity 0.6049 NPC302159
Remote Similarity 0.6049 NPC130570
Remote Similarity 0.604 NPC285343
Remote Similarity 0.6035 NPC106235
Remote Similarity 0.6035 NPC239660
Remote Similarity 0.6034 NPC165599
Remote Similarity 0.6034 NPC53144
Remote Similarity 0.6034 NPC471194
Remote Similarity 0.6034 NPC471193
Remote Similarity 0.6033 NPC17305
Remote Similarity 0.6032 NPC160666
Remote Similarity 0.6027 NPC321708
Remote Similarity 0.6026 NPC248782
Remote Similarity 0.6026 NPC239954
Remote Similarity 0.6026 NPC131887
Remote Similarity 0.6025 NPC471192
Remote Similarity 0.6024 NPC475635
Remote Similarity 0.6018 NPC165538
Remote Similarity 0.6017 NPC98864
Remote Similarity 0.601 NPC472260
Remote Similarity 0.6008 NPC207686
Remote Similarity 0.6008 NPC207866
Remote Similarity 0.6008 NPC267078
Remote Similarity 0.6008 NPC935
Remote Similarity 0.6 NPC122427
Remote Similarity 0.6 NPC73994
Remote Similarity 0.6 NPC24864
Remote Similarity 0.6 NPC271792
Remote Similarity 0.6 NPC123395
Remote Similarity 0.6 NPC61011
Remote Similarity 0.5992 NPC54066
Remote Similarity 0.5992 NPC14686
Remote Similarity 0.5992 NPC276657
Remote Similarity 0.5991 NPC198673
Remote Similarity 0.5991 NPC143977
Remote Similarity 0.5991 NPC473821
Remote Similarity 0.5991 NPC322644
Remote Similarity 0.5985 NPC478011
Remote Similarity 0.5985 NPC478012
Remote Similarity 0.5984 NPC474357
Remote Similarity 0.5984 NPC63279
Remote Similarity 0.5983 NPC477979
Remote Similarity 0.5983 NPC90229
Remote Similarity 0.5983 NPC227582
Remote Similarity 0.5983 NPC74153
Remote Similarity 0.5983 NPC175602
Remote Similarity 0.5983 NPC238457
Remote Similarity 0.5982 NPC238242
Remote Similarity 0.5976 NPC28945
Remote Similarity 0.5976 NPC476491
Remote Similarity 0.5975 NPC14877
Remote Similarity 0.5975 NPC475350
Remote Similarity 0.5975 NPC145178
Remote Similarity 0.5974 NPC121327
Remote Similarity 0.5972 NPC164664
Remote Similarity 0.597 NPC114310
Remote Similarity 0.5968 NPC470323
Remote Similarity 0.5967 NPC473317
Remote Similarity 0.5966 NPC110182
Remote Similarity 0.5966 NPC251036
Remote Similarity 0.5966 NPC295548
Remote Similarity 0.5966 NPC200836
Remote Similarity 0.5965 NPC135950
Remote Similarity 0.5963 NPC477634
Remote Similarity 0.5963 NPC469529
Remote Similarity 0.5963 NPC314176
Remote Similarity 0.596 NPC182222
Remote Similarity 0.596 NPC297642
Remote Similarity 0.5957 NPC168911
Remote Similarity 0.5957 NPC471155
Remote Similarity 0.5957 NPC102008
Remote Similarity 0.5957 NPC67288
Remote Similarity 0.5957 NPC244741
Remote Similarity 0.5956 NPC209917
Remote Similarity 0.5956 NPC75544
Remote Similarity 0.5956 NPC255909
Remote Similarity 0.5955 NPC213468
Remote Similarity 0.595 NPC269270
Remote Similarity 0.5946 NPC471536
Remote Similarity 0.5946 NPC48938
Remote Similarity 0.5945 NPC476686
Remote Similarity 0.5945 NPC105758
Remote Similarity 0.5945 NPC476688
Remote Similarity 0.5944 NPC89987
Remote Similarity 0.5943 NPC478141
Remote Similarity 0.5941 NPC471741
Remote Similarity 0.5941 NPC317752
Remote Similarity 0.594 NPC314648
Remote Similarity 0.5939 NPC300139
Remote Similarity 0.5939 NPC233431
Remote Similarity 0.5938 NPC235684
Remote Similarity 0.5938 NPC178858
Remote Similarity 0.5936 NPC267885
Remote Similarity 0.5936 NPC476419

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  424.15
ALogP  -0.0835
MLogP  3.22
XLogP  5.509
HDA  6
HBD  2
Rotatable Bonds  13
TPSA  120.66
RO5 Violation  1