Drug Information

Drug ID:  NPD7233
Drug Name:  Vorapaxar Sulfate
Molecular Formula:  C29H33FN2O4.H2O4S
Canonical SMILES:  OS(=O)(=O)O.CCOC(=N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C)O
Standard InCHI:  InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1
Standard InCHIKey:  NQRYCIGCIAWEIC-CKLVGUEFSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7233

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 0.8114 NPC477975
Intermediate Similarity 0.809 NPC477976
Intermediate Similarity 0.7814 NPC213468
Intermediate Similarity 0.7754 NPC235684
Intermediate Similarity 0.7684 NPC472097
Intermediate Similarity 0.7653 NPC476874
Intermediate Similarity 0.765 NPC469938
Intermediate Similarity 0.7619 NPC472323
Intermediate Similarity 0.7592 NPC117244
Intermediate Similarity 0.7592 NPC473763
Intermediate Similarity 0.7553 NPC472119
Intermediate Similarity 0.7551 NPC470279
Intermediate Similarity 0.7541 NPC126492
Intermediate Similarity 0.7539 NPC95783
Intermediate Similarity 0.7538 NPC102008
Intermediate Similarity 0.7513 NPC103230
Intermediate Similarity 0.75 NPC313640
Intermediate Similarity 0.75 NPC475835
Intermediate Similarity 0.7488 NPC318299
Intermediate Similarity 0.7487 NPC471997
Intermediate Similarity 0.7487 NPC300688
Intermediate Similarity 0.7476 NPC281049
Intermediate Similarity 0.7475 NPC193761
Intermediate Similarity 0.7462 NPC195461
Intermediate Similarity 0.7462 NPC79129
Intermediate Similarity 0.7462 NPC249150
Intermediate Similarity 0.7462 NPC313985
Intermediate Similarity 0.7462 NPC49196
Intermediate Similarity 0.7462 NPC81654
Intermediate Similarity 0.7451 NPC317752
Intermediate Similarity 0.7429 NPC477974
Intermediate Similarity 0.7426 NPC478158
Intermediate Similarity 0.7421 NPC79062
Intermediate Similarity 0.7421 NPC472107
Intermediate Similarity 0.7419 NPC267885
Intermediate Similarity 0.7415 NPC478157
Intermediate Similarity 0.7411 NPC160127
Intermediate Similarity 0.7411 NPC50997
Intermediate Similarity 0.7394 NPC15840
Intermediate Similarity 0.7393 NPC473506
Intermediate Similarity 0.7393 NPC472762
Intermediate Similarity 0.738 NPC151939
Intermediate Similarity 0.7366 NPC110500
Intermediate Similarity 0.7366 NPC203468
Intermediate Similarity 0.7366 NPC149155
Intermediate Similarity 0.7363 NPC311276
Intermediate Similarity 0.736 NPC50503
Intermediate Similarity 0.7358 NPC122968
Intermediate Similarity 0.7358 NPC87152
Intermediate Similarity 0.7358 NPC328186
Intermediate Similarity 0.7358 NPC475600
Intermediate Similarity 0.7358 NPC475631
Intermediate Similarity 0.7358 NPC228377
Intermediate Similarity 0.7358 NPC477787
Intermediate Similarity 0.7358 NPC476110
Intermediate Similarity 0.7347 NPC11445
Intermediate Similarity 0.7346 NPC235885
Intermediate Similarity 0.734 NPC248462
Intermediate Similarity 0.734 NPC126709
Intermediate Similarity 0.734 NPC283219
Intermediate Similarity 0.734 NPC248041
Intermediate Similarity 0.7337 NPC201700
Intermediate Similarity 0.7337 NPC300183
Intermediate Similarity 0.7337 NPC78020
Intermediate Similarity 0.7333 NPC477788
Intermediate Similarity 0.7324 NPC470486
Intermediate Similarity 0.7324 NPC471977
Intermediate Similarity 0.7324 NPC471190
Intermediate Similarity 0.7324 NPC475644
Intermediate Similarity 0.7317 NPC475778
Intermediate Similarity 0.7316 NPC472104
Intermediate Similarity 0.7316 NPC143533
Intermediate Similarity 0.7306 NPC321708
Intermediate Similarity 0.7304 NPC234999
Intermediate Similarity 0.73 NPC162730
Intermediate Similarity 0.73 NPC474116
Intermediate Similarity 0.7296 NPC85066
Intermediate Similarity 0.7296 NPC157828
Intermediate Similarity 0.7296 NPC181502
Intermediate Similarity 0.7296 NPC195239
Intermediate Similarity 0.7292 NPC66210
Intermediate Similarity 0.7291 NPC127677
Intermediate Similarity 0.7291 NPC258062
Intermediate Similarity 0.7287 NPC145885
Intermediate Similarity 0.7287 NPC14113
Intermediate Similarity 0.7287 NPC84827
Intermediate Similarity 0.7286 NPC2395
Intermediate Similarity 0.7283 NPC98187
Intermediate Similarity 0.7278 NPC51054
Intermediate Similarity 0.7277 NPC238457
Intermediate Similarity 0.7277 NPC258480
Intermediate Similarity 0.7273 NPC149708
Intermediate Similarity 0.7273 NPC301368
Intermediate Similarity 0.7273 NPC84815
Intermediate Similarity 0.7268 NPC329858
Intermediate Similarity 0.7264 NPC98715
Intermediate Similarity 0.726 NPC162812
Intermediate Similarity 0.7256 NPC316841
Intermediate Similarity 0.7256 NPC475303
Intermediate Similarity 0.7256 NPC292416
Intermediate Similarity 0.7256 NPC475596
Intermediate Similarity 0.7256 NPC473689
Intermediate Similarity 0.7246 NPC4421
Intermediate Similarity 0.7243 NPC70949
Intermediate Similarity 0.7241 NPC225821
Intermediate Similarity 0.7241 NPC46225
Intermediate Similarity 0.7241 NPC323927
Intermediate Similarity 0.7235 NPC327769
Intermediate Similarity 0.7234 NPC203754
Intermediate Similarity 0.7234 NPC24594
Intermediate Similarity 0.7234 NPC472122
Intermediate Similarity 0.7234 NPC150048
Intermediate Similarity 0.7233 NPC292517
Intermediate Similarity 0.7228 NPC289086
Intermediate Similarity 0.7228 NPC327592
Intermediate Similarity 0.7222 NPC319880
Intermediate Similarity 0.7222 NPC320324
Intermediate Similarity 0.7222 NPC30456
Intermediate Similarity 0.7222 NPC244839
Intermediate Similarity 0.7217 NPC76565
Intermediate Similarity 0.7217 NPC57797
Intermediate Similarity 0.7217 NPC250807
Intermediate Similarity 0.7216 NPC175474
Intermediate Similarity 0.7214 NPC328596
Intermediate Similarity 0.7214 NPC328318
Intermediate Similarity 0.7212 NPC477907
Intermediate Similarity 0.7212 NPC204491
Intermediate Similarity 0.7212 NPC203614
Intermediate Similarity 0.7212 NPC42678
Intermediate Similarity 0.7212 NPC477909
Intermediate Similarity 0.7202 NPC315555
Intermediate Similarity 0.7198 NPC54744
Intermediate Similarity 0.7196 NPC157583
Intermediate Similarity 0.7194 NPC47190
Intermediate Similarity 0.7192 NPC18661
Intermediate Similarity 0.7192 NPC317373
Intermediate Similarity 0.7189 NPC237702
Intermediate Similarity 0.7189 NPC160105
Intermediate Similarity 0.7188 NPC207851
Intermediate Similarity 0.7186 NPC477041
Intermediate Similarity 0.7186 NPC477044
Intermediate Similarity 0.7183 NPC475137
Intermediate Similarity 0.7183 NPC475498
Intermediate Similarity 0.7183 NPC473850
Intermediate Similarity 0.7181 NPC139763
Intermediate Similarity 0.7177 NPC6981
Intermediate Similarity 0.7173 NPC71037
Intermediate Similarity 0.7172 NPC245916
Intermediate Similarity 0.7171 NPC271862
Intermediate Similarity 0.717 NPC127026
Intermediate Similarity 0.717 NPC127720
Intermediate Similarity 0.7163 NPC56109
Intermediate Similarity 0.7163 NPC191382
Intermediate Similarity 0.7158 NPC55772
Intermediate Similarity 0.7157 NPC477065
Intermediate Similarity 0.7156 NPC475406
Intermediate Similarity 0.715 NPC477045
Intermediate Similarity 0.715 NPC87856
Intermediate Similarity 0.715 NPC75634
Intermediate Similarity 0.715 NPC151976
Intermediate Similarity 0.7143 NPC62367
Intermediate Similarity 0.7143 NPC6576
Intermediate Similarity 0.7143 NPC294579
Intermediate Similarity 0.7143 NPC473115
Intermediate Similarity 0.7143 NPC75600
Intermediate Similarity 0.7143 NPC473089
Intermediate Similarity 0.7143 NPC129721
Intermediate Similarity 0.7143 NPC144779
Intermediate Similarity 0.7143 NPC469762
Intermediate Similarity 0.7143 NPC158020
Intermediate Similarity 0.7143 NPC212768
Intermediate Similarity 0.7136 NPC266192
Intermediate Similarity 0.7136 NPC471980
Intermediate Similarity 0.7135 NPC19679
Intermediate Similarity 0.7135 NPC469358
Intermediate Similarity 0.7129 NPC30570
Intermediate Similarity 0.7129 NPC132211
Intermediate Similarity 0.7123 NPC38959
Intermediate Similarity 0.7123 NPC477903
Intermediate Similarity 0.7123 NPC327904
Intermediate Similarity 0.7122 NPC470280
Intermediate Similarity 0.712 NPC472105
Intermediate Similarity 0.712 NPC187827
Intermediate Similarity 0.7116 NPC146824
Intermediate Similarity 0.7116 NPC211920
Intermediate Similarity 0.7115 NPC267965
Intermediate Similarity 0.7115 NPC229348
Intermediate Similarity 0.7113 NPC62749
Intermediate Similarity 0.7113 NPC94752
Intermediate Similarity 0.7109 NPC313804
Intermediate Similarity 0.7109 NPC216428
Intermediate Similarity 0.7109 NPC315804
Intermediate Similarity 0.7105 NPC237188
Intermediate Similarity 0.7105 NPC234987
Intermediate Similarity 0.7105 NPC64436
Intermediate Similarity 0.7105 NPC68354
Intermediate Similarity 0.7105 NPC326575
Intermediate Similarity 0.7104 NPC56765
Intermediate Similarity 0.7104 NPC253482
Intermediate Similarity 0.7103 NPC477902

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  492.24
ALogP  0.705
MLogP  3.88
XLogP  6.92
HDA  6
HBD  1
Rotatable Bonds  10
TPSA  81.01
RO5 Violation  1