Drug Information

Drug ID:  NPD5343
Drug Name:  Icosapent
Molecular Formula:  C22H34O2
Canonical SMILES:  CC/C=CC/C=CC/C=CC/C=CC/C=CCCCC(=O)OCC
Standard InCHI:  InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
Standard InCHIKey:  SSQPWTVBQMWLSZ-AAQCHOMXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5343

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 0.8627 NPC28779
High Similarity 0.8627 NPC200845
High Similarity 0.8627 NPC223677
High Similarity 0.8627 NPC128061
High Similarity 0.8627 NPC10316
High Similarity 0.8542 NPC163345
Intermediate Similarity 0.8333 NPC91495
Intermediate Similarity 0.8302 NPC211752
Intermediate Similarity 0.8302 NPC323597
Intermediate Similarity 0.8302 NPC323498
Intermediate Similarity 0.8298 NPC117572
Intermediate Similarity 0.8235 NPC39633
Intermediate Similarity 0.8235 NPC309606
Intermediate Similarity 0.8235 NPC139545
Intermediate Similarity 0.8235 NPC71761
Intermediate Similarity 0.8163 NPC207815
Intermediate Similarity 0.8113 NPC327388
Intermediate Similarity 0.8 NPC59051
Intermediate Similarity 0.8 NPC123357
Intermediate Similarity 0.7925 NPC228473
Intermediate Similarity 0.7872 NPC270796
Intermediate Similarity 0.7857 NPC143857
Intermediate Similarity 0.7857 NPC321919
Intermediate Similarity 0.7857 NPC229252
Intermediate Similarity 0.7857 NPC81896
Intermediate Similarity 0.7843 NPC262968
Intermediate Similarity 0.7818 NPC478096
Intermediate Similarity 0.78 NPC5413
Intermediate Similarity 0.78 NPC135698
Intermediate Similarity 0.78 NPC149821
Intermediate Similarity 0.7719 NPC328776
Intermediate Similarity 0.7719 NPC320305
Intermediate Similarity 0.7692 NPC92114
Intermediate Similarity 0.7692 NPC170167
Intermediate Similarity 0.7679 NPC478095
Intermediate Similarity 0.766 NPC187922
Intermediate Similarity 0.7647 NPC224227
Intermediate Similarity 0.7636 NPC323436
Intermediate Similarity 0.76 NPC207292
Intermediate Similarity 0.7593 NPC474672
Intermediate Similarity 0.7586 NPC54925
Intermediate Similarity 0.7556 NPC226511
Intermediate Similarity 0.7547 NPC321062
Intermediate Similarity 0.7547 NPC70387
Intermediate Similarity 0.75 NPC244452
Intermediate Similarity 0.75 NPC48162
Intermediate Similarity 0.7458 NPC328089
Intermediate Similarity 0.7458 NPC68343
Intermediate Similarity 0.7458 NPC34883
Intermediate Similarity 0.7455 NPC252860
Intermediate Similarity 0.7414 NPC201939
Intermediate Similarity 0.7407 NPC25417
Intermediate Similarity 0.7407 NPC290563
Intermediate Similarity 0.7407 NPC32467
Intermediate Similarity 0.7407 NPC85813
Intermediate Similarity 0.7407 NPC137538
Intermediate Similarity 0.7407 NPC261831
Intermediate Similarity 0.7407 NPC88966
Intermediate Similarity 0.7407 NPC424
Intermediate Similarity 0.7407 NPC87564
Intermediate Similarity 0.7407 NPC154245
Intermediate Similarity 0.7407 NPC6095
Intermediate Similarity 0.7407 NPC281972
Intermediate Similarity 0.74 NPC197467
Intermediate Similarity 0.74 NPC42304
Intermediate Similarity 0.7368 NPC322002
Intermediate Similarity 0.7368 NPC329249
Intermediate Similarity 0.7358 NPC216407
Intermediate Similarity 0.7333 NPC476655
Intermediate Similarity 0.7333 NPC476654
Intermediate Similarity 0.7333 NPC476657
Intermediate Similarity 0.7308 NPC289388
Intermediate Similarity 0.7292 NPC57923
Intermediate Similarity 0.7273 NPC52264
Intermediate Similarity 0.7255 NPC216130
Intermediate Similarity 0.7241 NPC328311
Intermediate Similarity 0.7241 NPC79756
Intermediate Similarity 0.7241 NPC327112
Intermediate Similarity 0.7241 NPC243532
Intermediate Similarity 0.7222 NPC36061
Intermediate Similarity 0.7222 NPC139029
Intermediate Similarity 0.7222 NPC294548
Intermediate Similarity 0.7222 NPC1813
Intermediate Similarity 0.7213 NPC476656
Intermediate Similarity 0.7213 NPC478101
Intermediate Similarity 0.7213 NPC476659
Intermediate Similarity 0.72 NPC172042
Intermediate Similarity 0.72 NPC47946
Intermediate Similarity 0.72 NPC26600
Intermediate Similarity 0.717 NPC284212
Intermediate Similarity 0.717 NPC28205
Intermediate Similarity 0.7143 NPC18951
Intermediate Similarity 0.7143 NPC477201
Intermediate Similarity 0.7119 NPC113293
Intermediate Similarity 0.7119 NPC321838
Intermediate Similarity 0.7119 NPC151648
Intermediate Similarity 0.7097 NPC478097
Intermediate Similarity 0.7097 NPC330426
Intermediate Similarity 0.7097 NPC148192
Intermediate Similarity 0.7097 NPC475443
Intermediate Similarity 0.7097 NPC22101
Intermediate Similarity 0.7097 NPC473829
Intermediate Similarity 0.7097 NPC104537
Intermediate Similarity 0.7097 NPC478100
Intermediate Similarity 0.7097 NPC127091
Intermediate Similarity 0.7097 NPC271921
Intermediate Similarity 0.7091 NPC322461
Intermediate Similarity 0.7059 NPC44363
Intermediate Similarity 0.7059 NPC163751
Intermediate Similarity 0.7059 NPC110234
Intermediate Similarity 0.7049 NPC478099
Intermediate Similarity 0.7049 NPC478098
Intermediate Similarity 0.7037 NPC310746
Intermediate Similarity 0.7037 NPC151919
Intermediate Similarity 0.7037 NPC281245
Intermediate Similarity 0.7037 NPC303765
Intermediate Similarity 0.7037 NPC161366
Intermediate Similarity 0.7037 NPC106531
Intermediate Similarity 0.7037 NPC129458
Intermediate Similarity 0.7 NPC68110
Remote Similarity 0.6984 NPC273508
Remote Similarity 0.6984 NPC48218
Remote Similarity 0.6984 NPC141481
Remote Similarity 0.6984 NPC473559
Remote Similarity 0.6984 NPC209327
Remote Similarity 0.6984 NPC324981
Remote Similarity 0.6981 NPC27264
Remote Similarity 0.6981 NPC236338
Remote Similarity 0.6964 NPC477984
Remote Similarity 0.6964 NPC274290
Remote Similarity 0.6964 NPC473863
Remote Similarity 0.6964 NPC474913
Remote Similarity 0.6949 NPC45097
Remote Similarity 0.6949 NPC299730
Remote Similarity 0.6909 NPC10081
Remote Similarity 0.6909 NPC225066
Remote Similarity 0.6897 NPC469373
Remote Similarity 0.6897 NPC254095
Remote Similarity 0.6885 NPC476658
Remote Similarity 0.6875 NPC317583
Remote Similarity 0.6875 NPC476059
Remote Similarity 0.6875 NPC473772
Remote Similarity 0.6875 NPC473603
Remote Similarity 0.6863 NPC239754
Remote Similarity 0.6852 NPC148056
Remote Similarity 0.6842 NPC187777
Remote Similarity 0.6842 NPC179764
Remote Similarity 0.6842 NPC325977
Remote Similarity 0.6825 NPC203335
Remote Similarity 0.6818 NPC286695
Remote Similarity 0.6809 NPC155880
Remote Similarity 0.6809 NPC92863
Remote Similarity 0.6792 NPC15912
Remote Similarity 0.6792 NPC477778
Remote Similarity 0.6792 NPC250919
Remote Similarity 0.6792 NPC98284
Remote Similarity 0.6786 NPC269615
Remote Similarity 0.678 NPC82465
Remote Similarity 0.678 NPC106851
Remote Similarity 0.678 NPC474267
Remote Similarity 0.678 NPC322186
Remote Similarity 0.678 NPC274927
Remote Similarity 0.6774 NPC326268
Remote Similarity 0.6774 NPC317881
Remote Similarity 0.6774 NPC136164
Remote Similarity 0.6774 NPC323045
Remote Similarity 0.6774 NPC255863
Remote Similarity 0.6774 NPC320642
Remote Similarity 0.6774 NPC245947
Remote Similarity 0.6774 NPC318420
Remote Similarity 0.6769 NPC476660
Remote Similarity 0.6769 NPC42526
Remote Similarity 0.6731 NPC128280
Remote Similarity 0.6724 NPC471277
Remote Similarity 0.6724 NPC225929
Remote Similarity 0.6724 NPC129150
Remote Similarity 0.6724 NPC44542
Remote Similarity 0.6724 NPC294938
Remote Similarity 0.6724 NPC471279
Remote Similarity 0.6724 NPC249850
Remote Similarity 0.6724 NPC293437
Remote Similarity 0.6724 NPC472445
Remote Similarity 0.6721 NPC155849
Remote Similarity 0.6721 NPC474774
Remote Similarity 0.6721 NPC474658
Remote Similarity 0.6719 NPC218477
Remote Similarity 0.6667 NPC248125
Remote Similarity 0.6667 NPC477982
Remote Similarity 0.6667 NPC15789
Remote Similarity 0.6667 NPC45626
Remote Similarity 0.6667 NPC54766
Remote Similarity 0.6667 NPC46151
Remote Similarity 0.6667 NPC26223
Remote Similarity 0.6667 NPC284447
Remote Similarity 0.6615 NPC470436
Remote Similarity 0.6613 NPC470320
Remote Similarity 0.661 NPC21946
Remote Similarity 0.661 NPC329819
Remote Similarity 0.661 NPC223679
Remote Similarity 0.6607 NPC477780

Drug Structure

External Identifiers

TTD   DAP000969; DNAP001463; DNCL001911
DrugBank   DB08887
ChEMBL   CHEMBL2095209
IUPHAR/BPS   7441
PharmaGKB  
KEGG Drug   D01892
PubChem CID   9831415
ChEBI   80366
CAS Number  86227-47-6

Drug Properties

Molecular Weight  330.26
ALogP  2.6159
MLogP  3.66
XLogP  8.766
HDA  2
HBD  0
Rotatable Bonds  17
TPSA  26.3
RO5 Violation  2