Drug Information

Drug ID:  NPD481
Drug Name:  Idazoxan
Molecular Formula:  C11H12N2O2
Canonical SMILES:  C1CN=C(N1)C1COc2c(O1)cccc2
Standard InCHI:  InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
Standard InCHIKey:  HPMRFMKYPGXPEP-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD481

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 0.7222 NPC247018
Intermediate Similarity 0.7222 NPC307123
Intermediate Similarity 0.7222 NPC97870
Intermediate Similarity 0.7121 NPC95977
Intermediate Similarity 0.7077 NPC41594
Remote Similarity 0.6929 NPC313918
Remote Similarity 0.6923 NPC141739
Remote Similarity 0.6923 NPC320242
Remote Similarity 0.6923 NPC136112
Remote Similarity 0.6536 NPC318591
Remote Similarity 0.6536 NPC231163
Remote Similarity 0.6489 NPC314803
Remote Similarity 0.6483 NPC298486
Remote Similarity 0.648 NPC206876
Remote Similarity 0.6438 NPC328267
Remote Similarity 0.6424 NPC274732
Remote Similarity 0.638 NPC206372
Remote Similarity 0.638 NPC203424
Remote Similarity 0.6358 NPC13397
Remote Similarity 0.6333 NPC471306
Remote Similarity 0.6333 NPC471321
Remote Similarity 0.6328 NPC318429
Remote Similarity 0.6306 NPC204546
Remote Similarity 0.6294 NPC120075
Remote Similarity 0.6287 NPC22014
Remote Similarity 0.6275 NPC160692
Remote Similarity 0.6273 NPC115144
Remote Similarity 0.6273 NPC277857
Remote Similarity 0.6258 NPC469808
Remote Similarity 0.6242 NPC212850
Remote Similarity 0.6242 NPC83289
Remote Similarity 0.6242 NPC189724
Remote Similarity 0.6216 NPC315632
Remote Similarity 0.6209 NPC471953
Remote Similarity 0.6207 NPC256369
Remote Similarity 0.6194 NPC209195
Remote Similarity 0.6194 NPC237227
Remote Similarity 0.6194 NPC13826
Remote Similarity 0.6174 NPC300955
Remote Similarity 0.6171 NPC181905
Remote Similarity 0.6164 NPC263835
Remote Similarity 0.6159 NPC258171
Remote Similarity 0.6159 NPC186898
Remote Similarity 0.6159 NPC191302
Remote Similarity 0.6145 NPC315257
Remote Similarity 0.6145 NPC292003
Remote Similarity 0.6145 NPC233926
Remote Similarity 0.6133 NPC71105
Remote Similarity 0.6133 NPC246133
Remote Similarity 0.6133 NPC182147
Remote Similarity 0.6133 NPC207541
Remote Similarity 0.6133 NPC170583
Remote Similarity 0.6133 NPC152186
Remote Similarity 0.6129 NPC284855
Remote Similarity 0.6129 NPC282477
Remote Similarity 0.6129 NPC274441
Remote Similarity 0.6127 NPC26524
Remote Similarity 0.6115 NPC253429
Remote Similarity 0.6111 NPC125306
Remote Similarity 0.6101 NPC323204
Remote Similarity 0.6093 NPC301713
Remote Similarity 0.6093 NPC251466
Remote Similarity 0.6093 NPC156944
Remote Similarity 0.6087 NPC247298
Remote Similarity 0.6081 NPC211992
Remote Similarity 0.6078 NPC470706
Remote Similarity 0.6078 NPC262641
Remote Similarity 0.6076 NPC299583
Remote Similarity 0.6071 NPC24777
Remote Similarity 0.6069 NPC9248
Remote Similarity 0.6065 NPC105541
Remote Similarity 0.6061 NPC114325
Remote Similarity 0.6061 NPC47672
Remote Similarity 0.6059 NPC158900
Remote Similarity 0.6053 NPC41331
Remote Similarity 0.6053 NPC291449
Remote Similarity 0.6053 NPC157740
Remote Similarity 0.6053 NPC99798
Remote Similarity 0.6049 NPC130926
Remote Similarity 0.6048 NPC156311
Remote Similarity 0.6039 NPC476570
Remote Similarity 0.6039 NPC326599
Remote Similarity 0.6039 NPC114102
Remote Similarity 0.6039 NPC329595
Remote Similarity 0.6038 NPC168861
Remote Similarity 0.6027 NPC228907
Remote Similarity 0.6027 NPC5932
Remote Similarity 0.6023 NPC254700
Remote Similarity 0.6014 NPC183262
Remote Similarity 0.6014 NPC42383
Remote Similarity 0.6013 NPC14600
Remote Similarity 0.6013 NPC155838
Remote Similarity 0.6013 NPC41473
Remote Similarity 0.6013 NPC246974
Remote Similarity 0.6013 NPC147247
Remote Similarity 0.6013 NPC312770
Remote Similarity 0.6013 NPC160607
Remote Similarity 0.6013 NPC204848
Remote Similarity 0.6013 NPC469977
Remote Similarity 0.6012 NPC245974
Remote Similarity 0.6 NPC255253
Remote Similarity 0.6 NPC13020
Remote Similarity 0.6 NPC217277
Remote Similarity 0.6 NPC140359
Remote Similarity 0.6 NPC132725
Remote Similarity 0.6 NPC211218
Remote Similarity 0.5986 NPC166837
Remote Similarity 0.5986 NPC55300
Remote Similarity 0.5976 NPC37205
Remote Similarity 0.5976 NPC160931
Remote Similarity 0.5974 NPC52029
Remote Similarity 0.5974 NPC195749
Remote Similarity 0.5974 NPC473987
Remote Similarity 0.5974 NPC35961
Remote Similarity 0.5949 NPC174754
Remote Similarity 0.5948 NPC153990
Remote Similarity 0.5948 NPC172403
Remote Similarity 0.5944 NPC165646
Remote Similarity 0.5939 NPC76412
Remote Similarity 0.5939 NPC470935
Remote Similarity 0.5939 NPC471032
Remote Similarity 0.5938 NPC477837
Remote Similarity 0.5938 NPC477838
Remote Similarity 0.5935 NPC308885
Remote Similarity 0.5935 NPC255550
Remote Similarity 0.5931 NPC303370
Remote Similarity 0.593 NPC247251
Remote Similarity 0.5929 NPC186469
Remote Similarity 0.5928 NPC474560
Remote Similarity 0.5928 NPC474852
Remote Similarity 0.5926 NPC78530
Remote Similarity 0.5924 NPC167096
Remote Similarity 0.5912 NPC310905
Remote Similarity 0.5912 NPC12714
Remote Similarity 0.5909 NPC164608
Remote Similarity 0.5909 NPC271808
Remote Similarity 0.5906 NPC83279
Remote Similarity 0.5897 NPC93882
Remote Similarity 0.5897 NPC208022
Remote Similarity 0.5897 NPC130595
Remote Similarity 0.5897 NPC214869
Remote Similarity 0.5897 NPC118419
Remote Similarity 0.5896 NPC293871
Remote Similarity 0.5896 NPC124433
Remote Similarity 0.589 NPC294249
Remote Similarity 0.5887 NPC146530
Remote Similarity 0.5887 NPC309982
Remote Similarity 0.5887 NPC97811
Remote Similarity 0.5886 NPC470471
Remote Similarity 0.5886 NPC277042
Remote Similarity 0.5886 NPC205178
Remote Similarity 0.5886 NPC230698
Remote Similarity 0.5886 NPC136330
Remote Similarity 0.5886 NPC73883
Remote Similarity 0.5886 NPC255817
Remote Similarity 0.5886 NPC264956
Remote Similarity 0.5886 NPC251454
Remote Similarity 0.5886 NPC196609
Remote Similarity 0.5886 NPC180647
Remote Similarity 0.5874 NPC245552
Remote Similarity 0.5871 NPC200555
Remote Similarity 0.5871 NPC160193
Remote Similarity 0.5871 NPC196026
Remote Similarity 0.5868 NPC274026
Remote Similarity 0.5864 NPC308571
Remote Similarity 0.586 NPC285078
Remote Similarity 0.586 NPC6854
Remote Similarity 0.586 NPC313737
Remote Similarity 0.5859 NPC23837
Remote Similarity 0.5855 NPC105513
Remote Similarity 0.5855 NPC62101
Remote Similarity 0.5855 NPC95733
Remote Similarity 0.5854 NPC110337
Remote Similarity 0.5849 NPC99078
Remote Similarity 0.5849 NPC416184
Remote Similarity 0.5844 NPC251571
Remote Similarity 0.584 NPC124576
Remote Similarity 0.5838 NPC179250
Remote Similarity 0.5838 NPC50380
Remote Similarity 0.5827 NPC292792
Remote Similarity 0.5824 NPC138083
Remote Similarity 0.5823 NPC473463
Remote Similarity 0.5823 NPC218530
Remote Similarity 0.5823 NPC29650
Remote Similarity 0.5822 NPC162294
Remote Similarity 0.5817 NPC29477
Remote Similarity 0.5816 NPC227894
Remote Similarity 0.5816 NPC194034
Remote Similarity 0.5814 NPC59028
Remote Similarity 0.5814 NPC329640
Remote Similarity 0.5814 NPC92191
Remote Similarity 0.5813 NPC254610
Remote Similarity 0.5813 NPC214988
Remote Similarity 0.5813 NPC470707
Remote Similarity 0.5813 NPC470470
Remote Similarity 0.5813 NPC252107
Remote Similarity 0.5813 NPC220923
Remote Similarity 0.5813 NPC225745
Remote Similarity 0.581 NPC316161
Remote Similarity 0.5809 NPC95755

Drug Structure

External Identifiers

TTD   DIB006495
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   154494
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  204.09
ALogP  -1.1313
MLogP  2.23
XLogP  1.233
HDA  2
HBD  1
Rotatable Bonds  1
TPSA  42.85
RO5 Violation  0