Drug Information

Drug ID:  NPD2902
Drug Name:  Sonedenoson
Molecular Formula:  C18H20ClN5O5
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(OCCc1ccc(cc1)Cl)nc2N
Standard InCHI:  InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
Standard InCHIKey:  WUCQGGOGHZRELS-LSCFUAHRSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2902

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 0.8454 NPC250178
Intermediate Similarity 0.8233 NPC160666
Intermediate Similarity 0.7763 NPC107160
Intermediate Similarity 0.7713 NPC158055
Intermediate Similarity 0.7658 NPC21461
Intermediate Similarity 0.724 NPC239737
Intermediate Similarity 0.7184 NPC313514
Intermediate Similarity 0.7128 NPC269827
Intermediate Similarity 0.7021 NPC107374
Intermediate Similarity 0.7021 NPC21448
Intermediate Similarity 0.7021 NPC156461
Intermediate Similarity 0.7016 NPC150853
Remote Similarity 0.6984 NPC189068
Remote Similarity 0.6984 NPC164665
Remote Similarity 0.6959 NPC103388
Remote Similarity 0.6947 NPC219313
Remote Similarity 0.6947 NPC309832
Remote Similarity 0.6923 NPC224076
Remote Similarity 0.6915 NPC229974
Remote Similarity 0.6915 NPC314152
Remote Similarity 0.6898 NPC150447
Remote Similarity 0.6866 NPC168702
Remote Similarity 0.6866 NPC125659
Remote Similarity 0.6821 NPC302778
Remote Similarity 0.6821 NPC212551
Remote Similarity 0.6809 NPC161659
Remote Similarity 0.6809 NPC209525
Remote Similarity 0.6804 NPC185991
Remote Similarity 0.6804 NPC85689
Remote Similarity 0.6804 NPC211025
Remote Similarity 0.6786 NPC174802
Remote Similarity 0.6786 NPC469975
Remote Similarity 0.678 NPC313897
Remote Similarity 0.6769 NPC321814
Remote Similarity 0.6769 NPC472816
Remote Similarity 0.6769 NPC207633
Remote Similarity 0.6762 NPC62510
Remote Similarity 0.6735 NPC164952
Remote Similarity 0.6735 NPC130586
Remote Similarity 0.672 NPC317821
Remote Similarity 0.6717 NPC226245
Remote Similarity 0.6716 NPC222174
Remote Similarity 0.6699 NPC317054
Remote Similarity 0.6695 NPC471614
Remote Similarity 0.6667 NPC129756
Remote Similarity 0.665 NPC33382
Remote Similarity 0.6649 NPC121222
Remote Similarity 0.6633 NPC93365
Remote Similarity 0.6633 NPC316618
Remote Similarity 0.6633 NPC161224
Remote Similarity 0.6594 NPC238945
Remote Similarity 0.6585 NPC290959
Remote Similarity 0.6568 NPC115595
Remote Similarity 0.6561 NPC54537
Remote Similarity 0.6552 NPC323091
Remote Similarity 0.6538 NPC326529
Remote Similarity 0.6507 NPC319100
Remote Similarity 0.6507 NPC189261
Remote Similarity 0.6507 NPC324198
Remote Similarity 0.6496 NPC130570
Remote Similarity 0.6491 NPC471603
Remote Similarity 0.6486 NPC276373
Remote Similarity 0.6468 NPC313754
Remote Similarity 0.6468 NPC311197
Remote Similarity 0.6468 NPC54320
Remote Similarity 0.6458 NPC223223
Remote Similarity 0.6457 NPC5802
Remote Similarity 0.645 NPC472834
Remote Similarity 0.6447 NPC136349
Remote Similarity 0.644 NPC33996
Remote Similarity 0.6435 NPC472289
Remote Similarity 0.6432 NPC328479
Remote Similarity 0.6429 NPC157821
Remote Similarity 0.6425 NPC326082
Remote Similarity 0.6418 NPC52238
Remote Similarity 0.6414 NPC476492
Remote Similarity 0.6402 NPC24589
Remote Similarity 0.6396 NPC474767
Remote Similarity 0.6389 NPC282458
Remote Similarity 0.6389 NPC78941
Remote Similarity 0.6386 NPC56271
Remote Similarity 0.6376 NPC242923
Remote Similarity 0.636 NPC69843
Remote Similarity 0.6355 NPC195140
Remote Similarity 0.6331 NPC472068
Remote Similarity 0.632 NPC282247
Remote Similarity 0.6316 NPC71238
Remote Similarity 0.6307 NPC89987
Remote Similarity 0.628 NPC472067
Remote Similarity 0.628 NPC472031
Remote Similarity 0.628 NPC472066
Remote Similarity 0.6278 NPC149708
Remote Similarity 0.6275 NPC477806
Remote Similarity 0.6275 NPC477805
Remote Similarity 0.6275 NPC477795
Remote Similarity 0.6275 NPC477796
Remote Similarity 0.6262 NPC473585
Remote Similarity 0.6255 NPC308906
Remote Similarity 0.625 NPC320818
Remote Similarity 0.625 NPC261595
Remote Similarity 0.6245 NPC314957
Remote Similarity 0.6244 NPC138018
Remote Similarity 0.6235 NPC295452
Remote Similarity 0.6235 NPC171393
Remote Similarity 0.6234 NPC54981
Remote Similarity 0.6233 NPC314394
Remote Similarity 0.6226 NPC1203
Remote Similarity 0.6221 NPC265111
Remote Similarity 0.622 NPC321458
Remote Similarity 0.622 NPC324033
Remote Similarity 0.6215 NPC133261
Remote Similarity 0.6204 NPC472109
Remote Similarity 0.6204 NPC472110
Remote Similarity 0.6202 NPC324484
Remote Similarity 0.6197 NPC24594
Remote Similarity 0.6197 NPC472122
Remote Similarity 0.6192 NPC313884
Remote Similarity 0.6192 NPC98371
Remote Similarity 0.6172 NPC325906
Remote Similarity 0.6169 NPC39092
Remote Similarity 0.6164 NPC320968
Remote Similarity 0.6157 NPC477891
Remote Similarity 0.6154 NPC71079
Remote Similarity 0.6151 NPC64216
Remote Similarity 0.6147 NPC188387
Remote Similarity 0.6147 NPC163421
Remote Similarity 0.6134 NPC471506
Remote Similarity 0.6133 NPC472843
Remote Similarity 0.6129 NPC48938
Remote Similarity 0.6124 NPC474217
Remote Similarity 0.6116 NPC292361
Remote Similarity 0.6111 NPC187827
Remote Similarity 0.6111 NPC472105
Remote Similarity 0.6095 NPC85918
Remote Similarity 0.6085 NPC50511
Remote Similarity 0.6085 NPC164664
Remote Similarity 0.6073 NPC15102
Remote Similarity 0.6071 NPC296437
Remote Similarity 0.6071 NPC280638
Remote Similarity 0.6066 NPC278366
Remote Similarity 0.6066 NPC127730
Remote Similarity 0.6058 NPC35761
Remote Similarity 0.6055 NPC472108
Remote Similarity 0.6055 NPC139291
Remote Similarity 0.6052 NPC5145
Remote Similarity 0.6049 NPC237978
Remote Similarity 0.6047 NPC471564
Remote Similarity 0.6043 NPC54744
Remote Similarity 0.6038 NPC319456
Remote Similarity 0.6028 NPC208060
Remote Similarity 0.6026 NPC193761
Remote Similarity 0.6016 NPC314882
Remote Similarity 0.6009 NPC144114
Remote Similarity 0.6 NPC475859
Remote Similarity 0.6 NPC475969
Remote Similarity 0.6 NPC474877
Remote Similarity 0.6 NPC476521
Remote Similarity 0.5991 NPC141377
Remote Similarity 0.5991 NPC230805
Remote Similarity 0.599 NPC120070
Remote Similarity 0.5984 NPC156003
Remote Similarity 0.5984 NPC30540
Remote Similarity 0.5983 NPC136924
Remote Similarity 0.5982 NPC471609
Remote Similarity 0.5981 NPC476686
Remote Similarity 0.5981 NPC476688
Remote Similarity 0.5981 NPC105758
Remote Similarity 0.598 NPC476528
Remote Similarity 0.598 NPC476433
Remote Similarity 0.5977 NPC476493
Remote Similarity 0.5976 NPC328924
Remote Similarity 0.5975 NPC46970
Remote Similarity 0.5974 NPC470500
Remote Similarity 0.5972 NPC476446
Remote Similarity 0.5972 NPC469813
Remote Similarity 0.5972 NPC78375
Remote Similarity 0.5966 NPC477114
Remote Similarity 0.5962 NPC317430
Remote Similarity 0.5962 NPC278874
Remote Similarity 0.596 NPC470266
Remote Similarity 0.5959 NPC477175
Remote Similarity 0.5959 NPC470730
Remote Similarity 0.5959 NPC470729
Remote Similarity 0.5959 NPC477176
Remote Similarity 0.5951 NPC63279
Remote Similarity 0.595 NPC474986
Remote Similarity 0.595 NPC476013
Remote Similarity 0.595 NPC476522
Remote Similarity 0.5946 NPC254762
Remote Similarity 0.5945 NPC107836
Remote Similarity 0.5945 NPC326575
Remote Similarity 0.5943 NPC323244
Remote Similarity 0.5943 NPC110151
Remote Similarity 0.5941 NPC476408
Remote Similarity 0.5935 NPC477177
Remote Similarity 0.5935 NPC300114
Remote Similarity 0.5934 NPC477633
Remote Similarity 0.5929 NPC472434
Remote Similarity 0.5929 NPC228206
Remote Similarity 0.5927 NPC297642

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  421.12
ALogP  -1.4217
MLogP  2.23
XLogP  0.971
HDA  9
HBD  4
Rotatable Bonds  11
TPSA  148.77
RO5 Violation  0