Drug Information

Drug ID:  NPD6161
Drug Name:  Eltrombopag Olamine
Molecular Formula:  C25H22N4O4.C2H7NO
Canonical SMILES:  OC(=O)c1cccc(c1)c1cccc(c1O)N/N=C1/C(=NN(C1=O)c1ccc(c(c1)C)C)C.NCCO
Standard InCHI:  InChI=1S/C25H22N4O4.C2H7NO/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33;3-1-2-4/h4-13,26,30H,1-3H3,(H,32,33);4H,1-3H2/b27-22-;
Standard InCHIKey:  LQQUHOUXABUDJA-OUFJFOJPSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6161

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 0.7165 NPC474815
Intermediate Similarity 0.7064 NPC51388
Intermediate Similarity 0.7037 NPC199737
Intermediate Similarity 0.7023 NPC293151
Remote Similarity 0.6985 NPC132751
Remote Similarity 0.6948 NPC9894
Remote Similarity 0.6907 NPC474814
Remote Similarity 0.6907 NPC126676
Remote Similarity 0.6907 NPC112336
Remote Similarity 0.6907 NPC469671
Remote Similarity 0.6902 NPC315829
Remote Similarity 0.6893 NPC316282
Remote Similarity 0.6875 NPC474701
Remote Similarity 0.6866 NPC288854
Remote Similarity 0.6852 NPC118228
Remote Similarity 0.6814 NPC70340
Remote Similarity 0.6808 NPC90185
Remote Similarity 0.6796 NPC181526
Remote Similarity 0.6786 NPC274640
Remote Similarity 0.6774 NPC298449
Remote Similarity 0.6769 NPC471778
Remote Similarity 0.6761 NPC283117
Remote Similarity 0.6757 NPC259678
Remote Similarity 0.6745 NPC133156
Remote Similarity 0.674 NPC181527
Remote Similarity 0.6736 NPC292143
Remote Similarity 0.6736 NPC139506
Remote Similarity 0.6729 NPC207873
Remote Similarity 0.6729 NPC100573
Remote Similarity 0.6667 NPC317727
Remote Similarity 0.6667 NPC303951
Remote Similarity 0.6651 NPC39679
Remote Similarity 0.665 NPC92803
Remote Similarity 0.6649 NPC189116
Remote Similarity 0.6649 NPC323798
Remote Similarity 0.6637 NPC144452
Remote Similarity 0.6636 NPC294375
Remote Similarity 0.6636 NPC23294
Remote Similarity 0.6634 NPC18890
Remote Similarity 0.6634 NPC470317
Remote Similarity 0.6623 NPC132329
Remote Similarity 0.6612 NPC314252
Remote Similarity 0.6612 NPC242933
Remote Similarity 0.6606 NPC184408
Remote Similarity 0.6605 NPC222561
Remote Similarity 0.6592 NPC280799
Remote Similarity 0.6591 NPC3207
Remote Similarity 0.657 NPC475411
Remote Similarity 0.6567 NPC475844
Remote Similarity 0.655 NPC471743
Remote Similarity 0.6541 NPC472241
Remote Similarity 0.6524 NPC472242
Remote Similarity 0.6522 NPC472243
Remote Similarity 0.6522 NPC204156
Remote Similarity 0.6522 NPC144381
Remote Similarity 0.6522 NPC313293
Remote Similarity 0.652 NPC471742
Remote Similarity 0.6508 NPC237649
Remote Similarity 0.6508 NPC300596
Remote Similarity 0.6507 NPC230403
Remote Similarity 0.6507 NPC45850
Remote Similarity 0.6507 NPC474688
Remote Similarity 0.6498 NPC86834
Remote Similarity 0.6498 NPC210828
Remote Similarity 0.6495 NPC103250
Remote Similarity 0.6484 NPC87413
Remote Similarity 0.6483 NPC208522
Remote Similarity 0.6474 NPC241392
Remote Similarity 0.6474 NPC144691
Remote Similarity 0.6473 NPC246700
Remote Similarity 0.6473 NPC174760
Remote Similarity 0.6473 NPC225279
Remote Similarity 0.6452 NPC470090
Remote Similarity 0.6448 NPC122542
Remote Similarity 0.6445 NPC303214
Remote Similarity 0.6439 NPC469829
Remote Similarity 0.6438 NPC25961
Remote Similarity 0.6429 NPC191863
Remote Similarity 0.6429 NPC475983
Remote Similarity 0.6429 NPC289776
Remote Similarity 0.6429 NPC133470
Remote Similarity 0.6425 NPC39500
Remote Similarity 0.6425 NPC206186
Remote Similarity 0.6425 NPC31700
Remote Similarity 0.6414 NPC182131
Remote Similarity 0.6413 NPC316574
Remote Similarity 0.6404 NPC474041
Remote Similarity 0.64 NPC150239
Remote Similarity 0.6396 NPC204867
Remote Similarity 0.6394 NPC183805
Remote Similarity 0.6386 NPC475607
Remote Similarity 0.6378 NPC27904
Remote Similarity 0.6377 NPC150308
Remote Similarity 0.6376 NPC308943
Remote Similarity 0.6372 NPC232600
Remote Similarity 0.6368 NPC73280
Remote Similarity 0.6368 NPC170333
Remote Similarity 0.6364 NPC474059
Remote Similarity 0.636 NPC179287
Remote Similarity 0.6355 NPC474081
Remote Similarity 0.6351 NPC250448
Remote Similarity 0.6346 NPC473815
Remote Similarity 0.6345 NPC160898
Remote Similarity 0.6344 NPC47986
Remote Similarity 0.6344 NPC251071
Remote Similarity 0.6341 NPC73555
Remote Similarity 0.6339 NPC169402
Remote Similarity 0.6338 NPC153042
Remote Similarity 0.6337 NPC303225
Remote Similarity 0.6337 NPC475594
Remote Similarity 0.6332 NPC470018
Remote Similarity 0.633 NPC300156
Remote Similarity 0.6329 NPC313886
Remote Similarity 0.6324 NPC43218
Remote Similarity 0.6324 NPC287358
Remote Similarity 0.6323 NPC55470
Remote Similarity 0.6316 NPC477998
Remote Similarity 0.6316 NPC128751
Remote Similarity 0.6316 NPC146370
Remote Similarity 0.6311 NPC247803
Remote Similarity 0.6308 NPC477889
Remote Similarity 0.6308 NPC132874
Remote Similarity 0.6308 NPC218733
Remote Similarity 0.6308 NPC138615
Remote Similarity 0.6308 NPC265642
Remote Similarity 0.6306 NPC38237
Remote Similarity 0.6304 NPC74575
Remote Similarity 0.6301 NPC4687
Remote Similarity 0.63 NPC33507
Remote Similarity 0.6298 NPC6786
Remote Similarity 0.6298 NPC160381
Remote Similarity 0.6295 NPC322064
Remote Similarity 0.6293 NPC477112
Remote Similarity 0.629 NPC474366
Remote Similarity 0.6286 NPC106833
Remote Similarity 0.6286 NPC471196
Remote Similarity 0.6286 NPC5630
Remote Similarity 0.6286 NPC471195
Remote Similarity 0.6286 NPC469497
Remote Similarity 0.6281 NPC67401
Remote Similarity 0.628 NPC190007
Remote Similarity 0.6278 NPC471741
Remote Similarity 0.6277 NPC301702
Remote Similarity 0.6275 NPC315631
Remote Similarity 0.6272 NPC478141
Remote Similarity 0.6266 NPC49547
Remote Similarity 0.6264 NPC314098
Remote Similarity 0.6263 NPC476231
Remote Similarity 0.6261 NPC187501
Remote Similarity 0.6257 NPC205946
Remote Similarity 0.6256 NPC203628
Remote Similarity 0.6256 NPC95412
Remote Similarity 0.6256 NPC28510
Remote Similarity 0.6255 NPC473187
Remote Similarity 0.625 NPC253476
Remote Similarity 0.625 NPC477391
Remote Similarity 0.625 NPC94943
Remote Similarity 0.625 NPC116238
Remote Similarity 0.6244 NPC274002
Remote Similarity 0.6244 NPC284102
Remote Similarity 0.6244 NPC472331
Remote Similarity 0.6244 NPC126515
Remote Similarity 0.6244 NPC475761
Remote Similarity 0.6234 NPC142385
Remote Similarity 0.6232 NPC243058
Remote Similarity 0.6232 NPC469831
Remote Similarity 0.623 NPC478039
Remote Similarity 0.6225 NPC132385
Remote Similarity 0.6224 NPC218388
Remote Similarity 0.6223 NPC43477
Remote Similarity 0.6222 NPC476161
Remote Similarity 0.6221 NPC469732
Remote Similarity 0.6221 NPC471944
Remote Similarity 0.622 NPC194040
Remote Similarity 0.6215 NPC470023
Remote Similarity 0.6214 NPC271792
Remote Similarity 0.6214 NPC39822
Remote Similarity 0.6209 NPC472245
Remote Similarity 0.6204 NPC280714
Remote Similarity 0.6202 NPC203635
Remote Similarity 0.6196 NPC244866
Remote Similarity 0.6193 NPC1464
Remote Similarity 0.6188 NPC220337
Remote Similarity 0.6186 NPC470021
Remote Similarity 0.6184 NPC472163
Remote Similarity 0.6182 NPC225400
Remote Similarity 0.6178 NPC176113
Remote Similarity 0.6175 NPC120251
Remote Similarity 0.6172 NPC49184
Remote Similarity 0.6171 NPC171882
Remote Similarity 0.6171 NPC121510
Remote Similarity 0.6171 NPC85661
Remote Similarity 0.6168 NPC181502
Remote Similarity 0.6168 NPC85066
Remote Similarity 0.6168 NPC276517
Remote Similarity 0.6168 NPC146724
Remote Similarity 0.6162 NPC91615
Remote Similarity 0.6158 NPC83241
Remote Similarity 0.6157 NPC306376
Remote Similarity 0.6154 NPC215747

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  442.16
ALogP  -0.6726
MLogP  3.33
XLogP  7.388
HDA  7
HBD  3
Rotatable Bonds  10
TPSA  114.59
RO5 Violation  1