Drug Information

Drug ID:  NPD698
Drug Name:  Iodamide Meglumine
Molecular Formula:  C12H11I3N2O4.C7H17NO5
Canonical SMILES:  CC(=NCc1c(I)c(N=C(O)C)c(c(c1I)C(=O)O)I)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Standard InCHI:  InChI=1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
Standard InCHIKey:  UYIPQECISAQMIU-WZTVWXICSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD698

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 0.837 NPC315224
Intermediate Similarity 0.7879 NPC205946
Intermediate Similarity 0.7481 NPC229353
Intermediate Similarity 0.7329 NPC323798
Intermediate Similarity 0.7214 NPC314098
Intermediate Similarity 0.7114 NPC259678
Intermediate Similarity 0.7111 NPC150323
Remote Similarity 0.6986 NPC181527
Remote Similarity 0.6954 NPC315829
Remote Similarity 0.6929 NPC314278
Remote Similarity 0.6887 NPC478039
Remote Similarity 0.6861 NPC130931
Remote Similarity 0.6828 NPC253476
Remote Similarity 0.6803 NPC159722
Remote Similarity 0.6786 NPC317758
Remote Similarity 0.673 NPC27904
Remote Similarity 0.6711 NPC472243
Remote Similarity 0.6687 NPC475983
Remote Similarity 0.6667 NPC43477
Remote Similarity 0.6644 NPC319645
Remote Similarity 0.6623 NPC472241
Remote Similarity 0.6601 NPC472242
Remote Similarity 0.66 NPC242933
Remote Similarity 0.6577 NPC316574
Remote Similarity 0.6549 NPC226794
Remote Similarity 0.6543 NPC189116
Remote Similarity 0.6491 NPC471742
Remote Similarity 0.649 NPC181526
Remote Similarity 0.649 NPC314252
Remote Similarity 0.6483 NPC150863
Remote Similarity 0.6467 NPC287358
Remote Similarity 0.6429 NPC314186
Remote Similarity 0.6429 NPC319950
Remote Similarity 0.6391 NPC315631
Remote Similarity 0.6389 NPC472244
Remote Similarity 0.6389 NPC470343
Remote Similarity 0.638 NPC199737
Remote Similarity 0.637 NPC122235
Remote Similarity 0.6357 NPC12730
Remote Similarity 0.6357 NPC228435
Remote Similarity 0.6337 NPC470317
Remote Similarity 0.6333 NPC173295
Remote Similarity 0.6329 NPC241392
Remote Similarity 0.6327 NPC280807
Remote Similarity 0.6327 NPC314431
Remote Similarity 0.6327 NPC472245
Remote Similarity 0.6301 NPC307437
Remote Similarity 0.6301 NPC58827
Remote Similarity 0.6301 NPC72473
Remote Similarity 0.6299 NPC13696
Remote Similarity 0.6296 NPC211525
Remote Similarity 0.6296 NPC153694
Remote Similarity 0.6294 NPC27581
Remote Similarity 0.6284 NPC316746
Remote Similarity 0.6276 NPC474926
Remote Similarity 0.6276 NPC4974
Remote Similarity 0.6265 NPC278887
Remote Similarity 0.6264 NPC132751
Remote Similarity 0.6257 NPC256268
Remote Similarity 0.6234 NPC316202
Remote Similarity 0.6231 NPC217621
Remote Similarity 0.6229 NPC288854
Remote Similarity 0.6224 NPC56634
Remote Similarity 0.6215 NPC313293
Remote Similarity 0.6212 NPC164859
Remote Similarity 0.6202 NPC253423
Remote Similarity 0.6199 NPC219848
Remote Similarity 0.6194 NPC301702
Remote Similarity 0.619 NPC471778
Remote Similarity 0.619 NPC476353
Remote Similarity 0.6168 NPC182131
Remote Similarity 0.6159 NPC148468
Remote Similarity 0.6159 NPC63210
Remote Similarity 0.6159 NPC310403
Remote Similarity 0.6159 NPC263709
Remote Similarity 0.6159 NPC97380
Remote Similarity 0.6159 NPC243673
Remote Similarity 0.6154 NPC474814
Remote Similarity 0.6154 NPC314287
Remote Similarity 0.6154 NPC229242
Remote Similarity 0.6154 NPC112336
Remote Similarity 0.6154 NPC478040
Remote Similarity 0.6149 NPC296712
Remote Similarity 0.6149 NPC243058
Remote Similarity 0.6144 NPC43218
Remote Similarity 0.6136 NPC25458
Remote Similarity 0.6136 NPC304873
Remote Similarity 0.6127 NPC142638
Remote Similarity 0.6127 NPC317784
Remote Similarity 0.6124 NPC61944
Remote Similarity 0.6114 NPC203635
Remote Similarity 0.6111 NPC62765
Remote Similarity 0.6108 NPC471130
Remote Similarity 0.6104 NPC471316
Remote Similarity 0.6102 NPC473815
Remote Similarity 0.609 NPC471317
Remote Similarity 0.6089 NPC70340
Remote Similarity 0.6084 NPC88970
Remote Similarity 0.6082 NPC303225
Remote Similarity 0.6082 NPC95412
Remote Similarity 0.6071 NPC470550
Remote Similarity 0.6071 NPC41717
Remote Similarity 0.6071 NPC205652
Remote Similarity 0.6069 NPC142577
Remote Similarity 0.6062 NPC237649
Remote Similarity 0.6062 NPC300596
Remote Similarity 0.6047 NPC471743
Remote Similarity 0.6047 NPC84347
Remote Similarity 0.6045 NPC90415
Remote Similarity 0.6044 NPC108847
Remote Similarity 0.6043 NPC474584
Remote Similarity 0.6042 NPC80150
Remote Similarity 0.6042 NPC478016
Remote Similarity 0.6042 NPC478014
Remote Similarity 0.6042 NPC478015
Remote Similarity 0.6042 NPC190663
Remote Similarity 0.6039 NPC236795
Remote Similarity 0.6039 NPC122553
Remote Similarity 0.6038 NPC470579
Remote Similarity 0.6034 NPC475685
Remote Similarity 0.6029 NPC37584
Remote Similarity 0.6027 NPC2982
Remote Similarity 0.6024 NPC322644
Remote Similarity 0.6023 NPC315934
Remote Similarity 0.6023 NPC477392
Remote Similarity 0.6015 NPC284477
Remote Similarity 0.6014 NPC322433
Remote Similarity 0.6012 NPC470069
Remote Similarity 0.6012 NPC52059
Remote Similarity 0.6 NPC325651
Remote Similarity 0.6 NPC254798
Remote Similarity 0.6 NPC478147
Remote Similarity 0.6 NPC476198
Remote Similarity 0.6 NPC3371
Remote Similarity 0.6 NPC477432
Remote Similarity 0.6 NPC105899
Remote Similarity 0.6 NPC475962
Remote Similarity 0.5989 NPC477391
Remote Similarity 0.5988 NPC476231
Remote Similarity 0.5987 NPC244866
Remote Similarity 0.5986 NPC147957
Remote Similarity 0.5985 NPC318327
Remote Similarity 0.5977 NPC474815
Remote Similarity 0.5976 NPC161827
Remote Similarity 0.5973 NPC210950
Remote Similarity 0.5973 NPC199738
Remote Similarity 0.5972 NPC239697
Remote Similarity 0.5971 NPC66208
Remote Similarity 0.5971 NPC329011
Remote Similarity 0.597 NPC255676
Remote Similarity 0.597 NPC178681
Remote Similarity 0.597 NPC202613
Remote Similarity 0.5965 NPC83241
Remote Similarity 0.5959 NPC474862
Remote Similarity 0.5959 NPC160493
Remote Similarity 0.5956 NPC327481
Remote Similarity 0.5955 NPC194040
Remote Similarity 0.5944 NPC83111
Remote Similarity 0.5941 NPC470971
Remote Similarity 0.594 NPC282895
Remote Similarity 0.5933 NPC259098
Remote Similarity 0.5933 NPC197680
Remote Similarity 0.5933 NPC101372
Remote Similarity 0.5926 NPC144691
Remote Similarity 0.5921 NPC313466
Remote Similarity 0.592 NPC9475
Remote Similarity 0.5915 NPC197470
Remote Similarity 0.5912 NPC249811
Remote Similarity 0.5903 NPC310467
Remote Similarity 0.5899 NPC319579
Remote Similarity 0.5897 NPC238412
Remote Similarity 0.5896 NPC318154
Remote Similarity 0.5896 NPC475594
Remote Similarity 0.5893 NPC253667
Remote Similarity 0.5893 NPC35510
Remote Similarity 0.5889 NPC183805
Remote Similarity 0.5887 NPC211421
Remote Similarity 0.5886 NPC67659
Remote Similarity 0.5882 NPC328070
Remote Similarity 0.5878 NPC285394
Remote Similarity 0.5876 NPC471741
Remote Similarity 0.5873 NPC314648
Remote Similarity 0.5871 NPC159589
Remote Similarity 0.587 NPC85493
Remote Similarity 0.5862 NPC8467
Remote Similarity 0.5862 NPC475607
Remote Similarity 0.5846 NPC261181
Remote Similarity 0.5845 NPC186933
Remote Similarity 0.5845 NPC476357
Remote Similarity 0.5843 NPC207851
Remote Similarity 0.5839 NPC191215
Remote Similarity 0.5839 NPC274089
Remote Similarity 0.5839 NPC325013
Remote Similarity 0.5838 NPC298851
Remote Similarity 0.5838 NPC210415
Remote Similarity 0.5838 NPC21752
Remote Similarity 0.5838 NPC276993
Remote Similarity 0.5838 NPC181138
Remote Similarity 0.5838 NPC293255
Remote Similarity 0.5838 NPC191310

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  627.79
ALogP  3.6645
MLogP  1.79
XLogP  3.375
HDA  6
HBD  3
Rotatable Bonds  12
TPSA  102.48
RO5 Violation  0