Drug Information

Drug ID:  NPD6230
Drug Name:  taprizosin
Molecular Formula:  C25H26N6O4S
Canonical SMILES:  COc1cc2nc([nH]c(=N)c2c(c1OC)c1ccccn1)N1CCc2c(C1)cccc2NS(=O)(=O)C
Standard InCHI:  InChI=1S/C25H26N6O4S/c1-34-20-13-19-22(21(23(20)35-2)18-8-4-5-11-27-18)24(26)29-25(28-19)31-12-10-16-15(14-31)7-6-9-17(16)30-36(3,32)33/h4-9,11,13,30H,10,12,14H2,1-3H3,(H2,26,28,29)
Standard InCHIKey:  OLYXPBZBZBVRGD-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6230

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 0.8333 NPC476581
Intermediate Similarity 0.8333 NPC36229
Intermediate Similarity 0.8333 NPC16452
Intermediate Similarity 0.8194 NPC31930
Intermediate Similarity 0.8102 NPC4071
Intermediate Similarity 0.8102 NPC476578
Intermediate Similarity 0.8102 NPC476582
Intermediate Similarity 0.8072 NPC53069
Intermediate Similarity 0.8072 NPC202605
Intermediate Similarity 0.8072 NPC112206
Intermediate Similarity 0.8072 NPC296482
Intermediate Similarity 0.8072 NPC202768
Intermediate Similarity 0.8036 NPC162530
Intermediate Similarity 0.7911 NPC96405
Intermediate Similarity 0.7911 NPC171409
Intermediate Similarity 0.7907 NPC195268
Intermediate Similarity 0.7907 NPC133140
Intermediate Similarity 0.7851 NPC473513
Intermediate Similarity 0.7848 NPC313189
Intermediate Similarity 0.7822 NPC290689
Intermediate Similarity 0.7817 NPC100079
Intermediate Similarity 0.7817 NPC23614
Intermediate Similarity 0.7773 NPC295228
Intermediate Similarity 0.7763 NPC235076
Intermediate Similarity 0.7758 NPC285558
Intermediate Similarity 0.7755 NPC56271
Intermediate Similarity 0.7739 NPC173080
Intermediate Similarity 0.7706 NPC46451
Intermediate Similarity 0.7689 NPC135549
Intermediate Similarity 0.766 NPC214980
Intermediate Similarity 0.7658 NPC234197
Intermediate Similarity 0.7642 NPC266931
Intermediate Similarity 0.7642 NPC149471
Intermediate Similarity 0.7642 NPC271215
Intermediate Similarity 0.7607 NPC280272
Intermediate Similarity 0.7598 NPC316981
Intermediate Similarity 0.7598 NPC251160
Intermediate Similarity 0.7588 NPC188420
Intermediate Similarity 0.7578 NPC315957
Intermediate Similarity 0.7578 NPC477019
Intermediate Similarity 0.7555 NPC208284
Intermediate Similarity 0.7532 NPC118121
Intermediate Similarity 0.7531 NPC201508
Intermediate Similarity 0.753 NPC270515
Intermediate Similarity 0.7511 NPC123976
Intermediate Similarity 0.7511 NPC167860
Intermediate Similarity 0.7424 NPC476465
Intermediate Similarity 0.7404 NPC213530
Intermediate Similarity 0.7404 NPC193267
Intermediate Similarity 0.7397 NPC96584
Intermediate Similarity 0.7397 NPC255800
Intermediate Similarity 0.7391 NPC201697
Intermediate Similarity 0.7384 NPC122463
Intermediate Similarity 0.7383 NPC132385
Intermediate Similarity 0.7381 NPC303374
Intermediate Similarity 0.7362 NPC473822
Intermediate Similarity 0.7362 NPC204446
Intermediate Similarity 0.736 NPC472067
Intermediate Similarity 0.736 NPC472031
Intermediate Similarity 0.736 NPC472066
Intermediate Similarity 0.735 NPC170114
Intermediate Similarity 0.7347 NPC30540
Intermediate Similarity 0.7313 NPC232727
Intermediate Similarity 0.7308 NPC470549
Intermediate Similarity 0.7304 NPC193777
Intermediate Similarity 0.7301 NPC287437
Intermediate Similarity 0.73 NPC174049
Intermediate Similarity 0.7297 NPC92111
Intermediate Similarity 0.7281 NPC199277
Intermediate Similarity 0.7281 NPC135887
Intermediate Similarity 0.728 NPC472068
Intermediate Similarity 0.7273 NPC18348
Intermediate Similarity 0.7269 NPC176538
Intermediate Similarity 0.7265 NPC236668
Intermediate Similarity 0.7257 NPC17565
Intermediate Similarity 0.7256 NPC312872
Intermediate Similarity 0.7252 NPC76748
Intermediate Similarity 0.7249 NPC162484
Intermediate Similarity 0.7238 NPC210434
Intermediate Similarity 0.7234 NPC146976
Intermediate Similarity 0.7232 NPC307963
Intermediate Similarity 0.7222 NPC48353
Intermediate Similarity 0.7207 NPC296527
Intermediate Similarity 0.7202 NPC24019
Intermediate Similarity 0.72 NPC131017
Intermediate Similarity 0.7193 NPC329793
Intermediate Similarity 0.7193 NPC329747
Intermediate Similarity 0.7186 NPC323345
Intermediate Similarity 0.7186 NPC470164
Intermediate Similarity 0.7177 NPC41501
Intermediate Similarity 0.7168 NPC13880
Intermediate Similarity 0.7167 NPC174672
Intermediate Similarity 0.7167 NPC174758
Intermediate Similarity 0.716 NPC471762
Intermediate Similarity 0.716 NPC314954
Intermediate Similarity 0.716 NPC252251
Intermediate Similarity 0.7143 NPC329708
Intermediate Similarity 0.7143 NPC118832
Intermediate Similarity 0.7143 NPC165349
Intermediate Similarity 0.7143 NPC264166
Intermediate Similarity 0.7143 NPC274291
Intermediate Similarity 0.7143 NPC47059
Intermediate Similarity 0.7137 NPC11464
Intermediate Similarity 0.7137 NPC65277
Intermediate Similarity 0.7137 NPC322482
Intermediate Similarity 0.7131 NPC469792
Intermediate Similarity 0.7124 NPC475910
Intermediate Similarity 0.7124 NPC82548
Intermediate Similarity 0.7119 NPC157931
Intermediate Similarity 0.7119 NPC478074
Intermediate Similarity 0.7118 NPC121772
Intermediate Similarity 0.7117 NPC204385
Intermediate Similarity 0.7104 NPC84478
Intermediate Similarity 0.7102 NPC477531
Intermediate Similarity 0.7097 NPC473183
Intermediate Similarity 0.7093 NPC251090
Intermediate Similarity 0.7093 NPC242209
Intermediate Similarity 0.708 NPC217554
Intermediate Similarity 0.7073 NPC469554
Intermediate Similarity 0.7064 NPC470020
Intermediate Similarity 0.7063 NPC284141
Intermediate Similarity 0.7061 NPC209174
Intermediate Similarity 0.7059 NPC176127
Intermediate Similarity 0.7054 NPC310118
Intermediate Similarity 0.7049 NPC110151
Intermediate Similarity 0.7046 NPC469592
Intermediate Similarity 0.7046 NPC471080
Intermediate Similarity 0.7045 NPC473182
Intermediate Similarity 0.7045 NPC22481
Intermediate Similarity 0.7031 NPC72211
Intermediate Similarity 0.702 NPC66777
Intermediate Similarity 0.7016 NPC90875
Intermediate Similarity 0.7016 NPC473184
Intermediate Similarity 0.7012 NPC477533
Intermediate Similarity 0.7008 NPC470018
Intermediate Similarity 0.7008 NPC200888
Intermediate Similarity 0.7004 NPC233334
Intermediate Similarity 0.7004 NPC101543
Intermediate Similarity 0.7004 NPC49547
Intermediate Similarity 0.7 NPC11408
Intermediate Similarity 0.7 NPC469594
Remote Similarity 0.6992 NPC278525
Remote Similarity 0.6988 NPC108342
Remote Similarity 0.6987 NPC274982
Remote Similarity 0.698 NPC74575
Remote Similarity 0.6976 NPC470889
Remote Similarity 0.6971 NPC308906
Remote Similarity 0.697 NPC11017
Remote Similarity 0.6966 NPC472111
Remote Similarity 0.6964 NPC475253
Remote Similarity 0.6962 NPC284685
Remote Similarity 0.696 NPC182907
Remote Similarity 0.696 NPC99666
Remote Similarity 0.696 NPC189903
Remote Similarity 0.6953 NPC223427
Remote Similarity 0.6949 NPC469589
Remote Similarity 0.6944 NPC477066
Remote Similarity 0.6943 NPC70259
Remote Similarity 0.694 NPC267423
Remote Similarity 0.6937 NPC206201
Remote Similarity 0.6932 NPC166722
Remote Similarity 0.6929 NPC208522
Remote Similarity 0.6926 NPC130570
Remote Similarity 0.6923 NPC475070
Remote Similarity 0.692 NPC471304
Remote Similarity 0.6917 NPC478082
Remote Similarity 0.6917 NPC478081
Remote Similarity 0.6917 NPC152768
Remote Similarity 0.6917 NPC477067
Remote Similarity 0.6917 NPC148183
Remote Similarity 0.6914 NPC60621
Remote Similarity 0.6913 NPC153042
Remote Similarity 0.6913 NPC243834
Remote Similarity 0.6913 NPC70956
Remote Similarity 0.6913 NPC224928
Remote Similarity 0.6911 NPC470126
Remote Similarity 0.6911 NPC473185
Remote Similarity 0.6907 NPC470931
Remote Similarity 0.6907 NPC477111
Remote Similarity 0.6906 NPC478009
Remote Similarity 0.6906 NPC478010
Remote Similarity 0.6903 NPC478012
Remote Similarity 0.6903 NPC478011
Remote Similarity 0.69 NPC205934
Remote Similarity 0.69 NPC43787
Remote Similarity 0.69 NPC326634
Remote Similarity 0.6888 NPC476041
Remote Similarity 0.6888 NPC304926
Remote Similarity 0.6883 NPC476997
Remote Similarity 0.688 NPC253675
Remote Similarity 0.688 NPC277351
Remote Similarity 0.6877 NPC314176
Remote Similarity 0.6875 NPC17437
Remote Similarity 0.6872 NPC472099
Remote Similarity 0.687 NPC194967
Remote Similarity 0.687 NPC227908
Remote Similarity 0.6868 NPC315467
Remote Similarity 0.6863 NPC81939
Remote Similarity 0.6862 NPC26679
Remote Similarity 0.6862 NPC264176

Drug Structure

External Identifiers

TTD   DIB013145
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  506.17
ALogP  -1.0938
MLogP  3
XLogP  4.369
HDA  8
HBD  3
Rotatable Bonds  9
TPSA  137.38
RO5 Violation  0