Drug Information

Drug ID:  NPD3838
Drug Name:  Rivoglitazone
Molecular Formula:  C20H19N3O4S
Canonical SMILES:  COc1ccc2c(c1)n(C)c(n2)COc1ccc(cc1)CC1SC(=O)N=C1O
Standard InCHI:  InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)
Standard InCHIKey:  XMSXOLDPMGMWTH-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3838

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 0.7828 NPC242923
Intermediate Similarity 0.7628 NPC280638
Intermediate Similarity 0.7588 NPC308906
Intermediate Similarity 0.7586 NPC187145
Intermediate Similarity 0.7489 NPC160666
Intermediate Similarity 0.7404 NPC315822
Intermediate Similarity 0.7388 NPC472067
Intermediate Similarity 0.7388 NPC472031
Intermediate Similarity 0.7388 NPC472066
Intermediate Similarity 0.7325 NPC477805
Intermediate Similarity 0.7325 NPC477795
Intermediate Similarity 0.7325 NPC316756
Intermediate Similarity 0.7325 NPC477806
Intermediate Similarity 0.7325 NPC477796
Intermediate Similarity 0.7306 NPC472068
Intermediate Similarity 0.7303 NPC30540
Intermediate Similarity 0.7188 NPC470586
Intermediate Similarity 0.7156 NPC110741
Intermediate Similarity 0.7137 NPC136924
Intermediate Similarity 0.7119 NPC46970
Intermediate Similarity 0.7118 NPC469589
Intermediate Similarity 0.7116 NPC118776
Intermediate Similarity 0.7098 NPC18487
Remote Similarity 0.6992 NPC250178
Remote Similarity 0.698 NPC150447
Remote Similarity 0.6979 NPC12100
Remote Similarity 0.6935 NPC39092
Remote Similarity 0.6923 NPC471614
Remote Similarity 0.6877 NPC56271
Remote Similarity 0.6851 NPC469592
Remote Similarity 0.6851 NPC471080
Remote Similarity 0.6846 NPC35761
Remote Similarity 0.684 NPC472111
Remote Similarity 0.6831 NPC237978
Remote Similarity 0.6826 NPC223427
Remote Similarity 0.6824 NPC174758
Remote Similarity 0.6807 NPC469594
Remote Similarity 0.6807 NPC467439
Remote Similarity 0.6804 NPC477891
Remote Similarity 0.6804 NPC144114
Remote Similarity 0.6777 NPC285635
Remote Similarity 0.6757 NPC314573
Remote Similarity 0.6752 NPC174672
Remote Similarity 0.6737 NPC471603
Remote Similarity 0.6736 NPC303658
Remote Similarity 0.6735 NPC115595
Remote Similarity 0.6721 NPC473185
Remote Similarity 0.6711 NPC267928
Remote Similarity 0.671 NPC295898
Remote Similarity 0.6709 NPC287208
Remote Similarity 0.6708 NPC213530
Remote Similarity 0.6708 NPC193267
Remote Similarity 0.6698 NPC1527
Remote Similarity 0.6695 NPC471736
Remote Similarity 0.6693 NPC99891
Remote Similarity 0.6681 NPC162484
Remote Similarity 0.6681 NPC475774
Remote Similarity 0.668 NPC477533
Remote Similarity 0.6667 NPC232727
Remote Similarity 0.6667 NPC264176
Remote Similarity 0.6653 NPC274982
Remote Similarity 0.664 NPC475253
Remote Similarity 0.6639 NPC471615
Remote Similarity 0.6638 NPC70956
Remote Similarity 0.6638 NPC470931
Remote Similarity 0.6638 NPC243834
Remote Similarity 0.6638 NPC291535
Remote Similarity 0.6638 NPC475112
Remote Similarity 0.6638 NPC82548
Remote Similarity 0.6638 NPC475085
Remote Similarity 0.6636 NPC258773
Remote Similarity 0.6624 NPC476106
Remote Similarity 0.6623 NPC315957
Remote Similarity 0.6614 NPC474183
Remote Similarity 0.6612 NPC2497
Remote Similarity 0.6609 NPC72211
Remote Similarity 0.6597 NPC48353
Remote Similarity 0.6597 NPC472098
Remote Similarity 0.6596 NPC193777
Remote Similarity 0.6592 NPC62069
Remote Similarity 0.6591 NPC283152
Remote Similarity 0.6585 NPC110151
Remote Similarity 0.6584 NPC60621
Remote Similarity 0.6584 NPC310118
Remote Similarity 0.6584 NPC17305
Remote Similarity 0.6582 NPC167860
Remote Similarity 0.6582 NPC123976
Remote Similarity 0.6574 NPC184680
Remote Similarity 0.6573 NPC21461
Remote Similarity 0.6568 NPC475910
Remote Similarity 0.6568 NPC308392
Remote Similarity 0.6567 NPC199277
Remote Similarity 0.6567 NPC135887
Remote Similarity 0.6559 NPC471762
Remote Similarity 0.6559 NPC314954
Remote Similarity 0.6559 NPC194740
Remote Similarity 0.6555 NPC146418
Remote Similarity 0.6552 NPC121772
Remote Similarity 0.6552 NPC19872
Remote Similarity 0.655 NPC131017
Remote Similarity 0.6549 NPC472434
Remote Similarity 0.6548 NPC470785
Remote Similarity 0.6545 NPC227908
Remote Similarity 0.6543 NPC128115
Remote Similarity 0.6543 NPC132642
Remote Similarity 0.6532 NPC222592
Remote Similarity 0.6532 NPC168486
Remote Similarity 0.653 NPC208060
Remote Similarity 0.6527 NPC26679
Remote Similarity 0.6522 NPC70259
Remote Similarity 0.652 NPC220852
Remote Similarity 0.6518 NPC84478
Remote Similarity 0.6516 NPC477532
Remote Similarity 0.6513 NPC219664
Remote Similarity 0.6511 NPC470930
Remote Similarity 0.6508 NPC473183
Remote Similarity 0.6507 NPC84853
Remote Similarity 0.6507 NPC79293
Remote Similarity 0.6507 NPC279401
Remote Similarity 0.6502 NPC473179
Remote Similarity 0.6502 NPC219963
Remote Similarity 0.6492 NPC252251
Remote Similarity 0.6492 NPC66777
Remote Similarity 0.6492 NPC476997
Remote Similarity 0.6484 NPC476688
Remote Similarity 0.6484 NPC105758
Remote Similarity 0.6484 NPC476686
Remote Similarity 0.6483 NPC472286
Remote Similarity 0.6483 NPC472287
Remote Similarity 0.6482 NPC470784
Remote Similarity 0.6481 NPC11017
Remote Similarity 0.6481 NPC329747
Remote Similarity 0.6481 NPC176538
Remote Similarity 0.6478 NPC205934
Remote Similarity 0.6478 NPC43787
Remote Similarity 0.6476 NPC472289
Remote Similarity 0.6476 NPC230805
Remote Similarity 0.6471 NPC171393
Remote Similarity 0.6471 NPC124300
Remote Similarity 0.6471 NPC201697
Remote Similarity 0.6471 NPC295452
Remote Similarity 0.6471 NPC209769
Remote Similarity 0.6468 NPC278874
Remote Similarity 0.6468 NPC53144
Remote Similarity 0.6466 NPC476998
Remote Similarity 0.6466 NPC476996
Remote Similarity 0.6466 NPC314056
Remote Similarity 0.6458 NPC203168
Remote Similarity 0.6458 NPC94157
Remote Similarity 0.6454 NPC141053
Remote Similarity 0.6446 NPC8022
Remote Similarity 0.6446 NPC470799
Remote Similarity 0.6446 NPC62995
Remote Similarity 0.6445 NPC291609
Remote Similarity 0.6444 NPC5145
Remote Similarity 0.6444 NPC11464
Remote Similarity 0.6443 NPC285343
Remote Similarity 0.6441 NPC211997
Remote Similarity 0.6441 NPC285558
Remote Similarity 0.644 NPC477531
Remote Similarity 0.6432 NPC266931
Remote Similarity 0.6432 NPC66083
Remote Similarity 0.6432 NPC206251
Remote Similarity 0.6432 NPC476287
Remote Similarity 0.6432 NPC478074
Remote Similarity 0.6432 NPC74382
Remote Similarity 0.6429 NPC161887
Remote Similarity 0.6429 NPC473184
Remote Similarity 0.6429 NPC266551
Remote Similarity 0.6426 NPC476994
Remote Similarity 0.6421 NPC478011
Remote Similarity 0.642 NPC305984
Remote Similarity 0.6414 NPC469554
Remote Similarity 0.6414 NPC474145
Remote Similarity 0.6414 NPC475841
Remote Similarity 0.6402 NPC185782
Remote Similarity 0.64 NPC209174
Remote Similarity 0.6398 NPC200836
Remote Similarity 0.6398 NPC245816
Remote Similarity 0.6398 NPC476138
Remote Similarity 0.6397 NPC130570
Remote Similarity 0.6397 NPC314176
Remote Similarity 0.6396 NPC134586
Remote Similarity 0.6395 NPC310618
Remote Similarity 0.6394 NPC478013
Remote Similarity 0.639 NPC477633
Remote Similarity 0.639 NPC294620
Remote Similarity 0.639 NPC112206
Remote Similarity 0.639 NPC202605
Remote Similarity 0.639 NPC316981
Remote Similarity 0.6386 NPC157931
Remote Similarity 0.6385 NPC36168
Remote Similarity 0.6383 NPC476044
Remote Similarity 0.6379 NPC148183
Remote Similarity 0.6379 NPC251090
Remote Similarity 0.6379 NPC170114
Remote Similarity 0.6379 NPC152768
Remote Similarity 0.6375 NPC260434
Remote Similarity 0.6375 NPC113369
Remote Similarity 0.6372 NPC26850

Drug Structure

External Identifiers

TTD   DIB016579
DrugBank   DB09200
ChEMBL   CHEMBL2104753
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  185428-18-6

Drug Properties

Molecular Weight  397.11
ALogP  0.0842
MLogP  2.78
XLogP  3.397
HDA  5
HBD  1
Rotatable Bonds  9
TPSA  111.24
RO5 Violation  0