Drug Information

Drug ID:  NPD7970
Drug Name:  Eptifibatide
Molecular Formula:  C35H49N11O9S2
Canonical SMILES:  OC(=O)C[C@@H]1N=C(O)CN=C(O)[C@H](CCCCNC(=N)N)N=C(O)CCSSC[C@H](N=C([C@H]2N(C(=O)[C@@H](N=C1O)Cc1c[nH]c3c1cccc3)CCC2)O)C(=N)O
Standard InCHI:  InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1
Standard InCHIKey:  CZKPOZZJODAYPZ-LROMGURASA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD7970

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 0.9124 NPC473376
High Similarity 0.8762 NPC54744
High Similarity 0.8579 NPC293917
High Similarity 0.8571 NPC320968
High Similarity 0.8565 NPC64216
Intermediate Similarity 0.8446 NPC17059
Intermediate Similarity 0.8439 NPC75634
Intermediate Similarity 0.8434 NPC171317
Intermediate Similarity 0.8402 NPC213629
Intermediate Similarity 0.8382 NPC478158
Intermediate Similarity 0.8374 NPC54420
Intermediate Similarity 0.8358 NPC155143
Intermediate Similarity 0.835 NPC75726
Intermediate Similarity 0.835 NPC31385
Intermediate Similarity 0.835 NPC110602
Intermediate Similarity 0.8342 NPC473640
Intermediate Similarity 0.8308 NPC475506
Intermediate Similarity 0.8293 NPC162860
Intermediate Similarity 0.8287 NPC89987
Intermediate Similarity 0.8209 NPC100321
Intermediate Similarity 0.8194 NPC69843
Intermediate Similarity 0.8182 NPC478157
Intermediate Similarity 0.8122 NPC321708
Intermediate Similarity 0.8116 NPC107077
Intermediate Similarity 0.8116 NPC223791
Intermediate Similarity 0.8103 NPC228835
Intermediate Similarity 0.8091 NPC478028
Intermediate Similarity 0.8083 NPC283219
Intermediate Similarity 0.8069 NPC242872
Intermediate Similarity 0.8069 NPC263117
Intermediate Similarity 0.8069 NPC125181
Intermediate Similarity 0.8021 NPC110500
Intermediate Similarity 0.8021 NPC203468
Intermediate Similarity 0.8021 NPC149155
Intermediate Similarity 0.802 NPC94752
Intermediate Similarity 0.8018 NPC478029
Intermediate Similarity 0.799 NPC126709
Intermediate Similarity 0.799 NPC11126
Intermediate Similarity 0.799 NPC248041
Intermediate Similarity 0.7981 NPC281049
Intermediate Similarity 0.7979 NPC267885
Intermediate Similarity 0.7949 NPC91179
Intermediate Similarity 0.7939 NPC477635
Intermediate Similarity 0.7939 NPC477630
Intermediate Similarity 0.7938 NPC84827
Intermediate Similarity 0.7938 NPC145885
Intermediate Similarity 0.7938 NPC14113
Intermediate Similarity 0.7933 NPC323927
Intermediate Similarity 0.7929 NPC235684
Intermediate Similarity 0.7921 NPC294693
Intermediate Similarity 0.7873 NPC165743
Intermediate Similarity 0.7838 NPC63279
Intermediate Similarity 0.7833 NPC321939
Intermediate Similarity 0.7828 NPC475859
Intermediate Similarity 0.7828 NPC474877
Intermediate Similarity 0.7828 NPC475969
Intermediate Similarity 0.7826 NPC476874
Intermediate Similarity 0.7814 NPC475736
Intermediate Similarity 0.7812 NPC78020
Intermediate Similarity 0.7804 NPC470732
Intermediate Similarity 0.7804 NPC470731
Intermediate Similarity 0.7803 NPC297642
Intermediate Similarity 0.7784 NPC314603
Intermediate Similarity 0.7783 NPC477175
Intermediate Similarity 0.7783 NPC72956
Intermediate Similarity 0.7783 NPC477176
Intermediate Similarity 0.7783 NPC470729
Intermediate Similarity 0.7783 NPC470730
Intermediate Similarity 0.7767 NPC477715
Intermediate Similarity 0.7764 NPC314056
Intermediate Similarity 0.7748 NPC477177
Intermediate Similarity 0.7746 NPC471194
Intermediate Similarity 0.7746 NPC471193
Intermediate Similarity 0.7746 NPC6865
Intermediate Similarity 0.7746 NPC153980
Intermediate Similarity 0.7731 NPC477714
Intermediate Similarity 0.7716 NPC153400
Intermediate Similarity 0.7703 NPC326363
Intermediate Similarity 0.7685 NPC117244
Intermediate Similarity 0.7685 NPC473763
Intermediate Similarity 0.7682 NPC314882
Intermediate Similarity 0.7677 NPC16659
Intermediate Similarity 0.7667 NPC478013
Intermediate Similarity 0.7665 NPC473380
Intermediate Similarity 0.7665 NPC240088
Intermediate Similarity 0.7647 NPC24370
Intermediate Similarity 0.7647 NPC319232
Intermediate Similarity 0.7642 NPC477109
Intermediate Similarity 0.7642 NPC477108
Intermediate Similarity 0.7642 NPC477107
Intermediate Similarity 0.7639 NPC471192
Intermediate Similarity 0.7633 NPC474389
Intermediate Similarity 0.7628 NPC229348
Intermediate Similarity 0.7626 NPC473317
Intermediate Similarity 0.7626 NPC265710
Intermediate Similarity 0.7602 NPC19170
Intermediate Similarity 0.7598 NPC201831
Intermediate Similarity 0.7598 NPC17487
Intermediate Similarity 0.7585 NPC262898
Intermediate Similarity 0.758 NPC474195
Intermediate Similarity 0.7577 NPC160105
Intermediate Similarity 0.7576 NPC111275
Intermediate Similarity 0.7576 NPC183662
Intermediate Similarity 0.7576 NPC15573
Intermediate Similarity 0.7576 NPC217372
Intermediate Similarity 0.7571 NPC193761
Intermediate Similarity 0.7566 NPC325976
Intermediate Similarity 0.7563 NPC469938
Intermediate Similarity 0.7562 NPC165495
Intermediate Similarity 0.7553 NPC478006
Intermediate Similarity 0.7541 NPC478011
Intermediate Similarity 0.7541 NPC478012
Intermediate Similarity 0.7538 NPC55772
Intermediate Similarity 0.7538 NPC219336
Intermediate Similarity 0.7536 NPC179701
Intermediate Similarity 0.7534 NPC476491
Intermediate Similarity 0.7525 NPC99939
Intermediate Similarity 0.7525 NPC308931
Intermediate Similarity 0.7523 NPC125597
Intermediate Similarity 0.7523 NPC474196
Intermediate Similarity 0.7523 NPC79386
Intermediate Similarity 0.7511 NPC155444
Intermediate Similarity 0.751 NPC314176
Intermediate Similarity 0.75 NPC297862
Intermediate Similarity 0.75 NPC191382
Intermediate Similarity 0.75 NPC56109
Intermediate Similarity 0.7488 NPC62749
Intermediate Similarity 0.748 NPC477633
Intermediate Similarity 0.7477 NPC476817
Intermediate Similarity 0.7454 NPC54981
Intermediate Similarity 0.745 NPC213468
Intermediate Similarity 0.7445 NPC323752
Intermediate Similarity 0.7443 NPC238945
Intermediate Similarity 0.7439 NPC477634
Intermediate Similarity 0.7432 NPC312942
Intermediate Similarity 0.7432 NPC327095
Intermediate Similarity 0.7424 NPC28945
Intermediate Similarity 0.7416 NPC272483
Intermediate Similarity 0.7401 NPC328924
Intermediate Similarity 0.74 NPC248454
Intermediate Similarity 0.74 NPC64436
Intermediate Similarity 0.74 NPC59269
Intermediate Similarity 0.7399 NPC40455
Intermediate Similarity 0.7368 NPC220852
Intermediate Similarity 0.7366 NPC315467
Intermediate Similarity 0.7353 NPC15102
Intermediate Similarity 0.7344 NPC80597
Intermediate Similarity 0.7344 NPC211572
Intermediate Similarity 0.7344 NPC70922
Intermediate Similarity 0.7344 NPC75540
Intermediate Similarity 0.7344 NPC212376
Intermediate Similarity 0.7337 NPC161861
Intermediate Similarity 0.7336 NPC478009
Intermediate Similarity 0.7336 NPC478010
Intermediate Similarity 0.7327 NPC469896
Intermediate Similarity 0.7317 NPC315555
Intermediate Similarity 0.7315 NPC71238
Intermediate Similarity 0.7311 NPC470497
Intermediate Similarity 0.731 NPC474561
Intermediate Similarity 0.731 NPC49954
Intermediate Similarity 0.731 NPC49217
Intermediate Similarity 0.7309 NPC474896
Intermediate Similarity 0.7308 NPC477167
Intermediate Similarity 0.7308 NPC473342
Intermediate Similarity 0.7306 NPC282247
Intermediate Similarity 0.7304 NPC477003
Intermediate Similarity 0.7299 NPC131887
Intermediate Similarity 0.7296 NPC295452
Intermediate Similarity 0.7296 NPC171393
Intermediate Similarity 0.7294 NPC82370
Intermediate Similarity 0.7292 NPC469786
Intermediate Similarity 0.7292 NPC73952
Intermediate Similarity 0.7292 NPC469765
Intermediate Similarity 0.7292 NPC25008
Intermediate Similarity 0.7292 NPC469763
Intermediate Similarity 0.7292 NPC469760
Intermediate Similarity 0.7292 NPC259644
Intermediate Similarity 0.7291 NPC71037
Intermediate Similarity 0.7282 NPC279918
Intermediate Similarity 0.7277 NPC31097
Intermediate Similarity 0.7277 NPC300183
Intermediate Similarity 0.7277 NPC253987
Intermediate Similarity 0.7273 NPC313640
Intermediate Similarity 0.7273 NPC285343
Intermediate Similarity 0.7273 NPC63751
Intermediate Similarity 0.7268 NPC469762
Intermediate Similarity 0.7268 NPC280290
Intermediate Similarity 0.7265 NPC272174
Intermediate Similarity 0.726 NPC243716
Intermediate Similarity 0.726 NPC476460
Intermediate Similarity 0.7255 NPC163055
Intermediate Similarity 0.7251 NPC227582
Intermediate Similarity 0.7249 NPC63031
Intermediate Similarity 0.7245 NPC282231
Intermediate Similarity 0.7243 NPC476073
Intermediate Similarity 0.7235 NPC476524
Intermediate Similarity 0.723 NPC252338
Intermediate Similarity 0.723 NPC315491
Intermediate Similarity 0.723 NPC45459
Intermediate Similarity 0.7225 NPC477166

Drug Structure

External Identifiers

TTD   DAP000285
DrugBank  
ChEMBL  
IUPHAR/BPS   6585
PharmaGKB  
KEGG Drug  
PubChem CID   448812
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  831.32
ALogP  -3.3218
MLogP  2.89
XLogP  0.667
HDA  20
HBD  12
Rotatable Bonds  19
TPSA  392.93
RO5 Violation  3