Drug Information

Drug ID:  NPD2508
Drug Name:  pro-erectile agents, Cardiome
Molecular Formula:  C17H20N2O
Canonical SMILES:  CN1CCCN(C1)C(=O)Cc1ccc2c(c1)cccc2
Standard InCHI:  InChI=1S/C17H20N2O/c1-18-9-4-10-19(13-18)17(20)12-14-7-8-15-5-2-3-6-16(15)11-14/h2-3,5-8,11H,4,9-10,12-13H2,1H3
Standard InCHIKey:  WTSNKBPPVGTBCH-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2508

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 0.7965 NPC473418
Intermediate Similarity 0.7459 NPC473573
Intermediate Similarity 0.735 NPC167336
Intermediate Similarity 0.7288 NPC45033
Intermediate Similarity 0.7154 NPC79698
Intermediate Similarity 0.7094 NPC239854
Intermediate Similarity 0.708 NPC71140
Intermediate Similarity 0.7054 NPC470926
Intermediate Similarity 0.7018 NPC256452
Intermediate Similarity 0.7 NPC17497
Intermediate Similarity 0.7 NPC305602
Remote Similarity 0.6963 NPC473962
Remote Similarity 0.6889 NPC126458
Remote Similarity 0.6875 NPC220698
Remote Similarity 0.6875 NPC298115
Remote Similarity 0.686 NPC473498
Remote Similarity 0.6838 NPC49994
Remote Similarity 0.6825 NPC246904
Remote Similarity 0.6814 NPC277277
Remote Similarity 0.6803 NPC55529
Remote Similarity 0.6763 NPC471123
Remote Similarity 0.6754 NPC125226
Remote Similarity 0.6696 NPC473661
Remote Similarity 0.6694 NPC158854
Remote Similarity 0.6693 NPC33742
Remote Similarity 0.6667 NPC185208
Remote Similarity 0.6667 NPC469560
Remote Similarity 0.6667 NPC329375
Remote Similarity 0.6667 NPC219573
Remote Similarity 0.6641 NPC27833
Remote Similarity 0.6638 NPC289883
Remote Similarity 0.6636 NPC104070
Remote Similarity 0.6622 NPC66936
Remote Similarity 0.6614 NPC276949
Remote Similarity 0.6614 NPC35850
Remote Similarity 0.661 NPC239185
Remote Similarity 0.6609 NPC103346
Remote Similarity 0.6581 NPC260233
Remote Similarity 0.6581 NPC329430
Remote Similarity 0.6581 NPC472880
Remote Similarity 0.6579 NPC418308
Remote Similarity 0.6569 NPC179224
Remote Similarity 0.6555 NPC134882
Remote Similarity 0.6552 NPC153885
Remote Similarity 0.6552 NPC155232
Remote Similarity 0.6552 NPC323420
Remote Similarity 0.6549 NPC60408
Remote Similarity 0.6538 NPC470545
Remote Similarity 0.6515 NPC302169
Remote Similarity 0.6504 NPC143516
Remote Similarity 0.6496 NPC322040
Remote Similarity 0.6496 NPC238219
Remote Similarity 0.6491 NPC267262
Remote Similarity 0.6489 NPC470546
Remote Similarity 0.6486 NPC474088
Remote Similarity 0.6479 NPC316906
Remote Similarity 0.6475 NPC257390
Remote Similarity 0.6471 NPC472258
Remote Similarity 0.6471 NPC136453
Remote Similarity 0.6471 NPC265220
Remote Similarity 0.6466 NPC133461
Remote Similarity 0.6466 NPC314192
Remote Similarity 0.6462 NPC470544
Remote Similarity 0.646 NPC160339
Remote Similarity 0.646 NPC307
Remote Similarity 0.6452 NPC130898
Remote Similarity 0.6452 NPC474804
Remote Similarity 0.6452 NPC474973
Remote Similarity 0.6446 NPC472879
Remote Similarity 0.6446 NPC476993
Remote Similarity 0.6446 NPC109514
Remote Similarity 0.6435 NPC325709
Remote Similarity 0.6423 NPC71933
Remote Similarity 0.6423 NPC239990
Remote Similarity 0.6423 NPC105114
Remote Similarity 0.6423 NPC152850
Remote Similarity 0.6423 NPC89923
Remote Similarity 0.6417 NPC322598
Remote Similarity 0.6417 NPC75724
Remote Similarity 0.641 NPC59677
Remote Similarity 0.6405 NPC222029
Remote Similarity 0.6404 NPC69057
Remote Similarity 0.6389 NPC9796
Remote Similarity 0.6379 NPC173413
Remote Similarity 0.6379 NPC19256
Remote Similarity 0.6377 NPC473322
Remote Similarity 0.6377 NPC111428
Remote Similarity 0.6364 NPC221825
Remote Similarity 0.6358 NPC117032
Remote Similarity 0.6349 NPC473676
Remote Similarity 0.6348 NPC153308
Remote Similarity 0.6343 NPC71684
Remote Similarity 0.6336 NPC285926
Remote Similarity 0.6336 NPC14672
Remote Similarity 0.6336 NPC315276
Remote Similarity 0.6333 NPC226041
Remote Similarity 0.633 NPC103488
Remote Similarity 0.6325 NPC284475
Remote Similarity 0.6324 NPC285394
Remote Similarity 0.6316 NPC164526
Remote Similarity 0.6312 NPC313663
Remote Similarity 0.6311 NPC474582
Remote Similarity 0.6311 NPC133809
Remote Similarity 0.6311 NPC128248
Remote Similarity 0.6311 NPC136810
Remote Similarity 0.629 NPC275467
Remote Similarity 0.6286 NPC255447
Remote Similarity 0.6286 NPC157311
Remote Similarity 0.6283 NPC133162
Remote Similarity 0.6273 NPC159661
Remote Similarity 0.6273 NPC272260
Remote Similarity 0.6271 NPC1682
Remote Similarity 0.6271 NPC188844
Remote Similarity 0.6269 NPC200964
Remote Similarity 0.6267 NPC109787
Remote Similarity 0.6258 NPC276085
Remote Similarity 0.6241 NPC44805
Remote Similarity 0.6241 NPC8761
Remote Similarity 0.624 NPC474695
Remote Similarity 0.6232 NPC119326
Remote Similarity 0.6226 NPC193578
Remote Similarity 0.6226 NPC135433
Remote Similarity 0.6226 NPC226999
Remote Similarity 0.6226 NPC158028
Remote Similarity 0.6226 NPC280135
Remote Similarity 0.6226 NPC87099
Remote Similarity 0.6226 NPC39799
Remote Similarity 0.6226 NPC1008
Remote Similarity 0.6218 NPC474974
Remote Similarity 0.6216 NPC17408
Remote Similarity 0.6216 NPC285716
Remote Similarity 0.6216 NPC157055
Remote Similarity 0.6216 NPC315216
Remote Similarity 0.6214 NPC200589
Remote Similarity 0.6207 NPC157778
Remote Similarity 0.6204 NPC222466
Remote Similarity 0.6204 NPC307195
Remote Similarity 0.6202 NPC475013
Remote Similarity 0.6194 NPC226143
Remote Similarity 0.6179 NPC225079
Remote Similarity 0.6176 NPC213126
Remote Similarity 0.6176 NPC84281
Remote Similarity 0.6176 NPC169485
Remote Similarity 0.6176 NPC317474
Remote Similarity 0.6176 NPC291027
Remote Similarity 0.6174 NPC313850
Remote Similarity 0.6174 NPC258046
Remote Similarity 0.617 NPC120251
Remote Similarity 0.6168 NPC54269
Remote Similarity 0.6167 NPC172925
Remote Similarity 0.6164 NPC150712
Remote Similarity 0.6161 NPC231986
Remote Similarity 0.6159 NPC101719
Remote Similarity 0.6154 NPC113307
Remote Similarity 0.614 NPC267704
Remote Similarity 0.6129 NPC291610
Remote Similarity 0.6126 NPC139901
Remote Similarity 0.6126 NPC151405
Remote Similarity 0.6121 NPC43945
Remote Similarity 0.6118 NPC473329
Remote Similarity 0.6111 NPC96835
Remote Similarity 0.6111 NPC273907
Remote Similarity 0.6111 NPC475318
Remote Similarity 0.6111 NPC49577
Remote Similarity 0.6111 NPC474855
Remote Similarity 0.6111 NPC151706
Remote Similarity 0.6111 NPC474811
Remote Similarity 0.6111 NPC471186
Remote Similarity 0.6111 NPC118099
Remote Similarity 0.6111 NPC9687
Remote Similarity 0.6111 NPC476198
Remote Similarity 0.6111 NPC475598
Remote Similarity 0.6111 NPC293377
Remote Similarity 0.6111 NPC258492
Remote Similarity 0.6111 NPC260045
Remote Similarity 0.6111 NPC76785
Remote Similarity 0.6111 NPC79465
Remote Similarity 0.6111 NPC476102
Remote Similarity 0.6111 NPC474787
Remote Similarity 0.6111 NPC90194
Remote Similarity 0.6107 NPC476048
Remote Similarity 0.6106 NPC230068
Remote Similarity 0.6096 NPC83214
Remote Similarity 0.6094 NPC470252
Remote Similarity 0.6091 NPC3190
Remote Similarity 0.6091 NPC249018
Remote Similarity 0.6083 NPC291070
Remote Similarity 0.6083 NPC246757
Remote Similarity 0.608 NPC247976
Remote Similarity 0.6071 NPC95868
Remote Similarity 0.6063 NPC142326
Remote Similarity 0.6063 NPC471447
Remote Similarity 0.6063 NPC94751
Remote Similarity 0.6047 NPC292758
Remote Similarity 0.6047 NPC65855
Remote Similarity 0.6042 NPC474473
Remote Similarity 0.6042 NPC266425
Remote Similarity 0.6038 NPC246822
Remote Similarity 0.6038 NPC213570
Remote Similarity 0.6038 NPC139416

Drug Structure

External Identifiers

TTD   DIB012388
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  268.16
ALogP  -0.7438
MLogP  3
XLogP  5.026
HDA  3
HBD  0
Rotatable Bonds  4
TPSA  23.55
RO5 Violation  1