Drug Information

Drug ID:  NPD6310
Drug Name:  trospium
Molecular Formula:  C25H30NO3
Canonical SMILES:  O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1
Standard InCHI:  InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1
Standard InCHIKey:  OYYDSUSKLWTMMQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD6310

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
High Similarity 0.9134 NPC65310
Intermediate Similarity 0.8244 NPC213126
Intermediate Similarity 0.8244 NPC84281
Intermediate Similarity 0.8244 NPC317474
Intermediate Similarity 0.8244 NPC291027
Intermediate Similarity 0.8244 NPC169485
Intermediate Similarity 0.806 NPC474847
Intermediate Similarity 0.7985 NPC285394
Intermediate Similarity 0.7836 NPC26285
Intermediate Similarity 0.7826 NPC69496
Intermediate Similarity 0.7795 NPC65855
Intermediate Similarity 0.7795 NPC292758
Intermediate Similarity 0.7786 NPC313663
Intermediate Similarity 0.7676 NPC151706
Intermediate Similarity 0.7676 NPC474855
Intermediate Similarity 0.7676 NPC474787
Intermediate Similarity 0.7676 NPC76785
Intermediate Similarity 0.7676 NPC90194
Intermediate Similarity 0.7676 NPC474811
Intermediate Similarity 0.7676 NPC49577
Intermediate Similarity 0.7676 NPC260045
Intermediate Similarity 0.7676 NPC79465
Intermediate Similarity 0.7676 NPC476102
Intermediate Similarity 0.7676 NPC9687
Intermediate Similarity 0.7676 NPC475318
Intermediate Similarity 0.7676 NPC118099
Intermediate Similarity 0.7676 NPC293377
Intermediate Similarity 0.7676 NPC475598
Intermediate Similarity 0.7676 NPC273907
Intermediate Similarity 0.766 NPC233910
Intermediate Similarity 0.766 NPC245836
Intermediate Similarity 0.7448 NPC281104
Intermediate Similarity 0.7385 NPC158854
Intermediate Similarity 0.7323 NPC160382
Intermediate Similarity 0.7181 NPC251439
Intermediate Similarity 0.7163 NPC4974
Intermediate Similarity 0.7143 NPC160548
Intermediate Similarity 0.7143 NPC210529
Intermediate Similarity 0.7143 NPC175852
Intermediate Similarity 0.7063 NPC210950
Intermediate Similarity 0.7063 NPC199738
Intermediate Similarity 0.7015 NPC158282
Remote Similarity 0.6993 NPC79608
Remote Similarity 0.6986 NPC45191
Remote Similarity 0.698 NPC316906
Remote Similarity 0.6972 NPC471466
Remote Similarity 0.6934 NPC210531
Remote Similarity 0.6929 NPC80150
Remote Similarity 0.6929 NPC190663
Remote Similarity 0.6928 NPC262077
Remote Similarity 0.6923 NPC162104
Remote Similarity 0.6897 NPC213969
Remote Similarity 0.6897 NPC165726
Remote Similarity 0.689 NPC35345
Remote Similarity 0.6883 NPC475578
Remote Similarity 0.6875 NPC136453
Remote Similarity 0.6875 NPC476033
Remote Similarity 0.6871 NPC257390
Remote Similarity 0.6871 NPC469479
Remote Similarity 0.6863 NPC209509
Remote Similarity 0.6853 NPC14141
Remote Similarity 0.6853 NPC307020
Remote Similarity 0.6842 NPC156648
Remote Similarity 0.6842 NPC57976
Remote Similarity 0.6835 NPC68967
Remote Similarity 0.6835 NPC76308
Remote Similarity 0.6835 NPC325295
Remote Similarity 0.6831 NPC160493
Remote Similarity 0.6828 NPC305717
Remote Similarity 0.6828 NPC71933
Remote Similarity 0.6828 NPC239990
Remote Similarity 0.6828 NPC105114
Remote Similarity 0.6828 NPC89923
Remote Similarity 0.6828 NPC152850
Remote Similarity 0.6824 NPC329816
Remote Similarity 0.6807 NPC89831
Remote Similarity 0.68 NPC127741
Remote Similarity 0.6795 NPC94602
Remote Similarity 0.6795 NPC476757
Remote Similarity 0.6791 NPC281604
Remote Similarity 0.6788 NPC469505
Remote Similarity 0.6788 NPC172525
Remote Similarity 0.6786 NPC129624
Remote Similarity 0.6783 NPC108286
Remote Similarity 0.6781 NPC103605
Remote Similarity 0.6781 NPC81092
Remote Similarity 0.6776 NPC269398
Remote Similarity 0.6776 NPC263493
Remote Similarity 0.6774 NPC145113
Remote Similarity 0.6769 NPC214200
Remote Similarity 0.6769 NPC228400
Remote Similarity 0.6765 NPC234376
Remote Similarity 0.6763 NPC212891
Remote Similarity 0.6761 NPC476184
Remote Similarity 0.6761 NPC476281
Remote Similarity 0.6747 NPC474858
Remote Similarity 0.6742 NPC249067
Remote Similarity 0.6739 NPC469509
Remote Similarity 0.6736 NPC236981
Remote Similarity 0.6735 NPC301857
Remote Similarity 0.6733 NPC473360
Remote Similarity 0.6732 NPC161069
Remote Similarity 0.6727 NPC472115
Remote Similarity 0.6727 NPC472114
Remote Similarity 0.6726 NPC26108
Remote Similarity 0.6715 NPC265002
Remote Similarity 0.6709 NPC214239
Remote Similarity 0.6708 NPC93343
Remote Similarity 0.6707 NPC313757
Remote Similarity 0.6692 NPC167336
Remote Similarity 0.669 NPC280827
Remote Similarity 0.669 NPC243059
Remote Similarity 0.669 NPC57607
Remote Similarity 0.669 NPC476183
Remote Similarity 0.6689 NPC109580
Remote Similarity 0.6689 NPC157311
Remote Similarity 0.6688 NPC475128
Remote Similarity 0.6688 NPC204546
Remote Similarity 0.6688 NPC132771
Remote Similarity 0.6688 NPC476978
Remote Similarity 0.6686 NPC230098
Remote Similarity 0.6667 NPC317645
Remote Similarity 0.6667 NPC328824
Remote Similarity 0.6667 NPC472707
Remote Similarity 0.6667 NPC150712
Remote Similarity 0.6667 NPC137627
Remote Similarity 0.6667 NPC476278
Remote Similarity 0.6667 NPC329761
Remote Similarity 0.6667 NPC225648
Remote Similarity 0.6667 NPC35996
Remote Similarity 0.6667 NPC469927
Remote Similarity 0.6667 NPC474473
Remote Similarity 0.6667 NPC469666
Remote Similarity 0.6647 NPC473562
Remote Similarity 0.6647 NPC476749
Remote Similarity 0.6646 NPC476750
Remote Similarity 0.6645 NPC473922
Remote Similarity 0.6644 NPC44805
Remote Similarity 0.6644 NPC8761
Remote Similarity 0.6644 NPC275538
Remote Similarity 0.6642 NPC269340
Remote Similarity 0.664 NPC9822
Remote Similarity 0.6627 NPC278887
Remote Similarity 0.6627 NPC477462
Remote Similarity 0.6626 NPC471122
Remote Similarity 0.6624 NPC240848
Remote Similarity 0.6622 NPC217431
Remote Similarity 0.6621 NPC476241
Remote Similarity 0.6621 NPC476260
Remote Similarity 0.6617 NPC19136
Remote Similarity 0.6606 NPC63931
Remote Similarity 0.66 NPC108553
Remote Similarity 0.6599 NPC476353
Remote Similarity 0.6597 NPC142577
Remote Similarity 0.6596 NPC45794
Remote Similarity 0.6594 NPC48525
Remote Similarity 0.659 NPC474745
Remote Similarity 0.6581 NPC314388
Remote Similarity 0.6581 NPC315283
Remote Similarity 0.6579 NPC471265
Remote Similarity 0.6579 NPC471264
Remote Similarity 0.6579 NPC68865
Remote Similarity 0.6579 NPC6570
Remote Similarity 0.6577 NPC183722
Remote Similarity 0.6577 NPC120251
Remote Similarity 0.6575 NPC476179
Remote Similarity 0.6575 NPC47667
Remote Similarity 0.6575 NPC246166
Remote Similarity 0.6575 NPC295664
Remote Similarity 0.6575 NPC476125
Remote Similarity 0.6569 NPC95126
Remote Similarity 0.6569 NPC475002
Remote Similarity 0.6567 NPC269457
Remote Similarity 0.6567 NPC211551
Remote Similarity 0.6564 NPC211525
Remote Similarity 0.6564 NPC153694
Remote Similarity 0.6561 NPC260194
Remote Similarity 0.6561 NPC138775
Remote Similarity 0.6558 NPC469696
Remote Similarity 0.6558 NPC239770
Remote Similarity 0.6554 NPC296712
Remote Similarity 0.6549 NPC311091
Remote Similarity 0.6549 NPC471033
Remote Similarity 0.6549 NPC310467
Remote Similarity 0.6549 NPC237420
Remote Similarity 0.6545 NPC85651
Remote Similarity 0.6541 NPC255676
Remote Similarity 0.6538 NPC5620
Remote Similarity 0.6538 NPC313867
Remote Similarity 0.6538 NPC270654
Remote Similarity 0.6538 NPC316008
Remote Similarity 0.6538 NPC289201
Remote Similarity 0.6536 NPC476133
Remote Similarity 0.6536 NPC172769
Remote Similarity 0.6536 NPC281470
Remote Similarity 0.6536 NPC124690
Remote Similarity 0.6536 NPC184195
Remote Similarity 0.6536 NPC178662
Remote Similarity 0.6536 NPC92784
Remote Similarity 0.6536 NPC470884

Drug Structure

External Identifiers

TTD   DAP000342
DrugBank  
ChEMBL  
IUPHAR/BPS   7480
PharmaGKB  
KEGG Drug  
PubChem CID   5596
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  392.22
ALogP  -4.1362
MLogP  3.77
XLogP  6.101
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  46.53
RO5 Violation  1