Drug Information

Drug ID:  NPD7119
Drug Name:  OZ-439
Molecular Formula:  C28H39NO5
Canonical SMILES:  O1CCN(CC1)CCOc1ccc(cc1)[C@@H]1CC[C@@]2(CC1)OO[C@@]1(O2)[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
Standard InCHI:  InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2/t20-,21+,23-,24-,25+,27+,28-
Standard InCHIKey:  XLCNVWUKICLURR-SSWNHEOBSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7119

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 0.7941 NPC255253
Intermediate Similarity 0.7676 NPC473048
Intermediate Similarity 0.7448 NPC325568
Intermediate Similarity 0.7391 NPC321133
Intermediate Similarity 0.7385 NPC326801
Intermediate Similarity 0.7379 NPC474200
Intermediate Similarity 0.7376 NPC294156
Intermediate Similarity 0.7376 NPC256015
Intermediate Similarity 0.7333 NPC473049
Intermediate Similarity 0.7333 NPC472794
Intermediate Similarity 0.7297 NPC469808
Intermediate Similarity 0.7286 NPC475839
Intermediate Similarity 0.7285 NPC472792
Intermediate Similarity 0.7285 NPC472791
Intermediate Similarity 0.7279 NPC211352
Intermediate Similarity 0.726 NPC153019
Intermediate Similarity 0.7248 NPC471522
Intermediate Similarity 0.7234 NPC150026
Intermediate Similarity 0.7203 NPC17348
Intermediate Similarity 0.72 NPC470307
Intermediate Similarity 0.72 NPC470308
Intermediate Similarity 0.719 NPC247298
Intermediate Similarity 0.7181 NPC125579
Intermediate Similarity 0.7172 NPC47288
Intermediate Similarity 0.7172 NPC283079
Intermediate Similarity 0.7171 NPC5155
Intermediate Similarity 0.7164 NPC95977
Intermediate Similarity 0.7152 NPC212850
Intermediate Similarity 0.7152 NPC83289
Intermediate Similarity 0.7152 NPC189724
Intermediate Similarity 0.7143 NPC280653
Intermediate Similarity 0.7143 NPC236014
Intermediate Similarity 0.7143 NPC129106
Intermediate Similarity 0.7143 NPC300875
Intermediate Similarity 0.7143 NPC268917
Intermediate Similarity 0.7143 NPC473575
Intermediate Similarity 0.7143 NPC271945
Intermediate Similarity 0.7143 NPC12875
Intermediate Similarity 0.7143 NPC164574
Intermediate Similarity 0.7143 NPC118114
Intermediate Similarity 0.7143 NPC207892
Intermediate Similarity 0.7143 NPC129784
Intermediate Similarity 0.7143 NPC344161
Intermediate Similarity 0.7143 NPC206224
Intermediate Similarity 0.7143 NPC145304
Intermediate Similarity 0.7143 NPC196765
Intermediate Similarity 0.7143 NPC17343
Intermediate Similarity 0.7143 NPC181497
Intermediate Similarity 0.7143 NPC228369
Intermediate Similarity 0.7143 NPC150011
Intermediate Similarity 0.7143 NPC476166
Intermediate Similarity 0.7125 NPC25084
Intermediate Similarity 0.7125 NPC146288
Intermediate Similarity 0.7125 NPC247639
Intermediate Similarity 0.7125 NPC323443
Intermediate Similarity 0.7125 NPC180756
Intermediate Similarity 0.7123 NPC93962
Intermediate Similarity 0.7115 NPC475959
Intermediate Similarity 0.7114 NPC296915
Intermediate Similarity 0.7114 NPC223008
Intermediate Similarity 0.7114 NPC476615
Intermediate Similarity 0.7114 NPC97834
Intermediate Similarity 0.7114 NPC115335
Intermediate Similarity 0.7114 NPC476616
Intermediate Similarity 0.7114 NPC90083
Intermediate Similarity 0.7114 NPC198154
Intermediate Similarity 0.7114 NPC170779
Intermediate Similarity 0.7114 NPC476617
Intermediate Similarity 0.7114 NPC225696
Intermediate Similarity 0.7107 NPC59692
Intermediate Similarity 0.7103 NPC98745
Intermediate Similarity 0.7103 NPC177167
Intermediate Similarity 0.7097 NPC245974
Intermediate Similarity 0.7095 NPC13005
Intermediate Similarity 0.7095 NPC27578
Intermediate Similarity 0.7095 NPC289624
Intermediate Similarity 0.7083 NPC81641
Intermediate Similarity 0.7083 NPC133407
Intermediate Similarity 0.7083 NPC28476
Intermediate Similarity 0.7075 NPC470225
Intermediate Similarity 0.7075 NPC27187
Intermediate Similarity 0.7071 NPC172253
Intermediate Similarity 0.7071 NPC59561
Intermediate Similarity 0.707 NPC211296
Intermediate Similarity 0.7067 NPC11727
Intermediate Similarity 0.7067 NPC15109
Intermediate Similarity 0.7063 NPC216459
Intermediate Similarity 0.7063 NPC41178
Intermediate Similarity 0.7063 NPC76079
Intermediate Similarity 0.7063 NPC138487
Intermediate Similarity 0.7059 NPC108674
Intermediate Similarity 0.7055 NPC47283
Intermediate Similarity 0.7055 NPC53986
Intermediate Similarity 0.7055 NPC223912
Intermediate Similarity 0.7055 NPC39064
Intermediate Similarity 0.7055 NPC38664
Intermediate Similarity 0.7051 NPC95075
Intermediate Similarity 0.7051 NPC253883
Intermediate Similarity 0.7051 NPC14468
Intermediate Similarity 0.7051 NPC102280
Intermediate Similarity 0.7051 NPC248053
Intermediate Similarity 0.7051 NPC155564
Intermediate Similarity 0.7051 NPC90844
Intermediate Similarity 0.7047 NPC77196
Intermediate Similarity 0.7047 NPC138940
Intermediate Similarity 0.7044 NPC471403
Intermediate Similarity 0.7042 NPC80241
Intermediate Similarity 0.7042 NPC301641
Intermediate Similarity 0.7039 NPC265335
Intermediate Similarity 0.7034 NPC26879
Intermediate Similarity 0.7034 NPC230479
Intermediate Similarity 0.7034 NPC471215
Intermediate Similarity 0.7034 NPC128321
Intermediate Similarity 0.7034 NPC283049
Intermediate Similarity 0.7034 NPC262573
Intermediate Similarity 0.7034 NPC50315
Intermediate Similarity 0.7032 NPC217635
Intermediate Similarity 0.7032 NPC79429
Intermediate Similarity 0.7032 NPC471667
Intermediate Similarity 0.7027 NPC164804
Intermediate Similarity 0.7027 NPC118419
Intermediate Similarity 0.7027 NPC284232
Intermediate Similarity 0.7027 NPC118683
Intermediate Similarity 0.7027 NPC68205
Intermediate Similarity 0.7027 NPC211413
Intermediate Similarity 0.7027 NPC274732
Intermediate Similarity 0.7027 NPC244888
Intermediate Similarity 0.7027 NPC293203
Intermediate Similarity 0.7021 NPC263835
Intermediate Similarity 0.702 NPC220923
Intermediate Similarity 0.702 NPC141717
Intermediate Similarity 0.702 NPC252107
Intermediate Similarity 0.7019 NPC234392
Intermediate Similarity 0.7019 NPC31311
Intermediate Similarity 0.7006 NPC133209
Intermediate Similarity 0.7006 NPC112819
Intermediate Similarity 0.7006 NPC6702
Intermediate Similarity 0.7006 NPC111134
Intermediate Similarity 0.7 NPC233467
Intermediate Similarity 0.7 NPC184269
Intermediate Similarity 0.7 NPC11147
Remote Similarity 0.6994 NPC160298
Remote Similarity 0.6994 NPC266753
Remote Similarity 0.6994 NPC477559
Remote Similarity 0.6994 NPC232924
Remote Similarity 0.6994 NPC306902
Remote Similarity 0.6993 NPC255026
Remote Similarity 0.6993 NPC470925
Remote Similarity 0.6993 NPC174977
Remote Similarity 0.6987 NPC476301
Remote Similarity 0.6987 NPC43508
Remote Similarity 0.6987 NPC149633
Remote Similarity 0.6986 NPC158737
Remote Similarity 0.6978 NPC33900
Remote Similarity 0.6978 NPC9341
Remote Similarity 0.6978 NPC81067
Remote Similarity 0.6977 NPC73492
Remote Similarity 0.6977 NPC299990
Remote Similarity 0.6977 NPC95755
Remote Similarity 0.6977 NPC313918
Remote Similarity 0.6974 NPC306365
Remote Similarity 0.6966 NPC320242
Remote Similarity 0.6962 NPC219162
Remote Similarity 0.6959 NPC249425
Remote Similarity 0.6957 NPC93593
Remote Similarity 0.6954 NPC42793
Remote Similarity 0.6954 NPC167944
Remote Similarity 0.6954 NPC99078
Remote Similarity 0.6954 NPC231884
Remote Similarity 0.6954 NPC79957
Remote Similarity 0.695 NPC256369
Remote Similarity 0.6948 NPC100482
Remote Similarity 0.6948 NPC277331
Remote Similarity 0.6947 NPC300166
Remote Similarity 0.6944 NPC328267
Remote Similarity 0.6943 NPC144863
Remote Similarity 0.6943 NPC93610
Remote Similarity 0.6943 NPC241846
Remote Similarity 0.6939 NPC158471
Remote Similarity 0.6939 NPC57119
Remote Similarity 0.6939 NPC246974
Remote Similarity 0.6939 NPC165128
Remote Similarity 0.6939 NPC226862
Remote Similarity 0.6939 NPC147247
Remote Similarity 0.6937 NPC210148
Remote Similarity 0.6937 NPC259707
Remote Similarity 0.6937 NPC233029
Remote Similarity 0.6933 NPC477080
Remote Similarity 0.6933 NPC215037
Remote Similarity 0.6933 NPC85435
Remote Similarity 0.6929 NPC25648
Remote Similarity 0.6928 NPC476432
Remote Similarity 0.6928 NPC260842
Remote Similarity 0.6928 NPC475836
Remote Similarity 0.6928 NPC24264
Remote Similarity 0.6923 NPC312713
Remote Similarity 0.6923 NPC54972
Remote Similarity 0.6923 NPC216929
Remote Similarity 0.6923 NPC65933
Remote Similarity 0.6923 NPC193364

Drug Structure

External Identifiers

TTD   DIB015640
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  469.28
ALogP  -0.7898
MLogP  3.88
XLogP  5.963
HDA  5
HBD  0
Rotatable Bonds  5
TPSA  49.39
RO5 Violation  1