Drug Information

Drug ID:  NPD4179
Drug Name:  Tamsulosin Hydrochloride
Molecular Formula:  C20H28N2O5S.ClH
Canonical SMILES:  CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C.Cl
Standard InCHI:  InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1
Standard InCHIKey:  ZZIZZTHXZRDOFM-XFULWGLBSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4179

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 1.0 NPC206372
High Similarity 1.0 NPC203424
Intermediate Similarity 0.7517 NPC320242
Intermediate Similarity 0.7432 NPC298486
Intermediate Similarity 0.7405 NPC323204
Intermediate Similarity 0.7383 NPC328267
Intermediate Similarity 0.7343 NPC26524
Intermediate Similarity 0.7338 NPC307123
Intermediate Similarity 0.7338 NPC247018
Intermediate Similarity 0.7338 NPC97870
Intermediate Similarity 0.7337 NPC314725
Intermediate Similarity 0.7337 NPC313375
Intermediate Similarity 0.7285 NPC136112
Intermediate Similarity 0.7285 NPC141739
Intermediate Similarity 0.7226 NPC118419
Intermediate Similarity 0.7215 NPC231163
Intermediate Similarity 0.7215 NPC318591
Intermediate Similarity 0.7197 NPC11147
Intermediate Similarity 0.7188 NPC204546
Intermediate Similarity 0.7143 NPC120075
Intermediate Similarity 0.7125 NPC212850
Intermediate Similarity 0.7125 NPC189724
Intermediate Similarity 0.7125 NPC83289
Intermediate Similarity 0.7125 NPC59661
Intermediate Similarity 0.7107 NPC253429
Intermediate Similarity 0.7101 NPC131440
Intermediate Similarity 0.7093 NPC475393
Intermediate Similarity 0.7078 NPC172403
Intermediate Similarity 0.7048 NPC60538
Intermediate Similarity 0.7048 NPC207824
Intermediate Similarity 0.7044 NPC231884
Intermediate Similarity 0.7044 NPC167944
Intermediate Similarity 0.7044 NPC42793
Intermediate Similarity 0.702 NPC211992
Intermediate Similarity 0.7 NPC193528
Remote Similarity 0.6993 NPC97811
Remote Similarity 0.6987 NPC262641
Remote Similarity 0.6977 NPC158900
Remote Similarity 0.6975 NPC213206
Remote Similarity 0.6975 NPC328750
Remote Similarity 0.6975 NPC474915
Remote Similarity 0.6975 NPC188163
Remote Similarity 0.697 NPC474649
Remote Similarity 0.697 NPC474652
Remote Similarity 0.6964 NPC277669
Remote Similarity 0.6964 NPC76213
Remote Similarity 0.6962 NPC160692
Remote Similarity 0.6951 NPC247298
Remote Similarity 0.6941 NPC80129
Remote Similarity 0.6941 NPC187022
Remote Similarity 0.6937 NPC307682
Remote Similarity 0.6936 NPC94292
Remote Similarity 0.6928 NPC277857
Remote Similarity 0.6928 NPC115144
Remote Similarity 0.6928 NPC255253
Remote Similarity 0.6914 NPC314682
Remote Similarity 0.6903 NPC301713
Remote Similarity 0.6887 NPC263835
Remote Similarity 0.6882 NPC2295
Remote Similarity 0.6882 NPC477564
Remote Similarity 0.6882 NPC233926
Remote Similarity 0.6867 NPC245974
Remote Similarity 0.6859 NPC291847
Remote Similarity 0.6854 NPC108434
Remote Similarity 0.6854 NPC475215
Remote Similarity 0.6852 NPC299583
Remote Similarity 0.6835 NPC114102
Remote Similarity 0.6818 NPC140359
Remote Similarity 0.6818 NPC13020
Remote Similarity 0.6807 NPC110337
Remote Similarity 0.6805 NPC13397
Remote Similarity 0.6805 NPC47672
Remote Similarity 0.6802 NPC247639
Remote Similarity 0.6802 NPC126519
Remote Similarity 0.6802 NPC170503
Remote Similarity 0.6802 NPC160931
Remote Similarity 0.6802 NPC25084
Remote Similarity 0.6802 NPC37205
Remote Similarity 0.6802 NPC203784
Remote Similarity 0.6792 NPC214869
Remote Similarity 0.679 NPC312770
Remote Similarity 0.679 NPC160607
Remote Similarity 0.679 NPC41473
Remote Similarity 0.679 NPC14600
Remote Similarity 0.679 NPC204848
Remote Similarity 0.6788 NPC136860
Remote Similarity 0.6788 NPC476567
Remote Similarity 0.6788 NPC128019
Remote Similarity 0.6783 NPC42383
Remote Similarity 0.6774 NPC105513
Remote Similarity 0.6772 NPC52029
Remote Similarity 0.6772 NPC35961
Remote Similarity 0.6772 NPC195749
Remote Similarity 0.677 NPC475828
Remote Similarity 0.6766 NPC473934
Remote Similarity 0.6747 NPC294249
Remote Similarity 0.6742 NPC130921
Remote Similarity 0.673 NPC329595
Remote Similarity 0.673 NPC326599
Remote Similarity 0.6727 NPC475698
Remote Similarity 0.6726 NPC476144
Remote Similarity 0.6726 NPC16107
Remote Similarity 0.6726 NPC210437
Remote Similarity 0.6726 NPC51957
Remote Similarity 0.6726 NPC106295
Remote Similarity 0.6725 NPC114124
Remote Similarity 0.6712 NPC24777
Remote Similarity 0.671 NPC211218
Remote Similarity 0.6709 NPC155838
Remote Similarity 0.6707 NPC185838
Remote Similarity 0.6687 NPC474553
Remote Similarity 0.6687 NPC274732
Remote Similarity 0.6687 NPC471953
Remote Similarity 0.6686 NPC7467
Remote Similarity 0.6686 NPC246587
Remote Similarity 0.6686 NPC156311
Remote Similarity 0.6686 NPC135538
Remote Similarity 0.6686 NPC428
Remote Similarity 0.6686 NPC296858
Remote Similarity 0.6686 NPC147390
Remote Similarity 0.6686 NPC475959
Remote Similarity 0.6686 NPC24233
Remote Similarity 0.6686 NPC292003
Remote Similarity 0.6686 NPC476571
Remote Similarity 0.6667 NPC321133
Remote Similarity 0.6667 NPC177023
Remote Similarity 0.6667 NPC121275
Remote Similarity 0.6667 NPC475479
Remote Similarity 0.6667 NPC243454
Remote Similarity 0.6667 NPC284183
Remote Similarity 0.6667 NPC4138
Remote Similarity 0.6667 NPC160193
Remote Similarity 0.6646 NPC251571
Remote Similarity 0.6646 NPC186898
Remote Similarity 0.6645 NPC261661
Remote Similarity 0.6645 NPC71090
Remote Similarity 0.6644 NPC165106
Remote Similarity 0.663 NPC239584
Remote Similarity 0.6629 NPC329640
Remote Similarity 0.6628 NPC28414
Remote Similarity 0.6628 NPC298924
Remote Similarity 0.6627 NPC144863
Remote Similarity 0.6627 NPC179825
Remote Similarity 0.6627 NPC321505
Remote Similarity 0.6627 NPC90844
Remote Similarity 0.6627 NPC191376
Remote Similarity 0.6627 NPC476151
Remote Similarity 0.6627 NPC253883
Remote Similarity 0.6627 NPC95075
Remote Similarity 0.6623 NPC318357
Remote Similarity 0.6623 NPC472596
Remote Similarity 0.6623 NPC81067
Remote Similarity 0.6623 NPC9341
Remote Similarity 0.6622 NPC21890
Remote Similarity 0.6611 NPC164608
Remote Similarity 0.661 NPC124433
Remote Similarity 0.661 NPC293871
Remote Similarity 0.6609 NPC323443
Remote Similarity 0.6609 NPC180756
Remote Similarity 0.6607 NPC189908
Remote Similarity 0.6606 NPC477838
Remote Similarity 0.6606 NPC477837
Remote Similarity 0.6603 NPC217277
Remote Similarity 0.6603 NPC279379
Remote Similarity 0.6601 NPC43275
Remote Similarity 0.659 NPC291583
Remote Similarity 0.659 NPC191200
Remote Similarity 0.6588 NPC470935
Remote Similarity 0.6588 NPC471032
Remote Similarity 0.6584 NPC470392
Remote Similarity 0.6576 NPC267408
Remote Similarity 0.6575 NPC258171
Remote Similarity 0.6575 NPC186469
Remote Similarity 0.6573 NPC208280
Remote Similarity 0.6566 NPC66518
Remote Similarity 0.6564 NPC237227
Remote Similarity 0.6561 NPC109822
Remote Similarity 0.6561 NPC95733
Remote Similarity 0.6561 NPC48990
Remote Similarity 0.6561 NPC114901
Remote Similarity 0.6561 NPC94276
Remote Similarity 0.6561 NPC62101
Remote Similarity 0.6561 NPC293701
Remote Similarity 0.6556 NPC473264
Remote Similarity 0.6556 NPC475815
Remote Similarity 0.6556 NPC47194
Remote Similarity 0.655 NPC92541
Remote Similarity 0.655 NPC219162
Remote Similarity 0.655 NPC103379
Remote Similarity 0.655 NPC182119
Remote Similarity 0.655 NPC477565
Remote Similarity 0.6541 NPC153990
Remote Similarity 0.6536 NPC268503
Remote Similarity 0.6536 NPC81247
Remote Similarity 0.6536 NPC240841
Remote Similarity 0.6536 NPC42549
Remote Similarity 0.6536 NPC317272
Remote Similarity 0.6536 NPC304659
Remote Similarity 0.6536 NPC474040
Remote Similarity 0.6536 NPC474214

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  408.17
ALogP  -1.2777
MLogP  2.78
XLogP  2.678
HDA  4
HBD  2
Rotatable Bonds  15
TPSA  108.26
RO5 Violation  1