Drug Information

Drug ID:  NPD7833
Drug Name:  Sr16234
Molecular Formula:  C33H47NO3
Canonical SMILES:  CCN(Cc1ccc(c(c1)OC)OCC[C@H]1CCC2[C@]1(C)CCC1C2[C@H](C)Cc2c1ccc(c2)O)CC
Standard InCHI:  InChI=1S/C33H47NO3/c1-6-34(7-2)21-23-8-13-30(31(19-23)36-5)37-17-15-25-9-12-29-32-22(3)18-24-20-26(35)10-11-27(24)28(32)14-16-33(25,29)4/h8,10-11,13,19-20,22,25,28-29,32,35H,6-7,9,12,14-18,21H2,1-5H3/t22-,25-,28?,29?,32?,33-/m1/s1
Standard InCHIKey:  OHCPNHFLPCVWRG-YQOGLFJVSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7833

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 0.8528 NPC240841
High Similarity 0.8528 NPC42549
High Similarity 0.8528 NPC268503
High Similarity 0.8528 NPC250846
High Similarity 0.8528 NPC256012
High Similarity 0.8528 NPC317272
High Similarity 0.8506 NPC185838
Intermediate Similarity 0.8397 NPC191376
Intermediate Similarity 0.8397 NPC321505
Intermediate Similarity 0.8397 NPC476151
Intermediate Similarity 0.8397 NPC179825
Intermediate Similarity 0.8365 NPC26601
Intermediate Similarity 0.8354 NPC134858
Intermediate Similarity 0.8344 NPC24233
Intermediate Similarity 0.8344 NPC135538
Intermediate Similarity 0.8344 NPC147390
Intermediate Similarity 0.8344 NPC246587
Intermediate Similarity 0.8344 NPC476571
Intermediate Similarity 0.8344 NPC428
Intermediate Similarity 0.8323 NPC247639
Intermediate Similarity 0.8323 NPC25084
Intermediate Similarity 0.8293 NPC233650
Intermediate Similarity 0.8291 NPC477565
Intermediate Similarity 0.8291 NPC103379
Intermediate Similarity 0.8282 NPC27410
Intermediate Similarity 0.8282 NPC166014
Intermediate Similarity 0.8282 NPC18402
Intermediate Similarity 0.8272 NPC129603
Intermediate Similarity 0.8272 NPC78359
Intermediate Similarity 0.8272 NPC65490
Intermediate Similarity 0.8272 NPC40389
Intermediate Similarity 0.8272 NPC315707
Intermediate Similarity 0.8272 NPC148014
Intermediate Similarity 0.8253 NPC210140
Intermediate Similarity 0.8239 NPC220858
Intermediate Similarity 0.8239 NPC192768
Intermediate Similarity 0.8239 NPC97221
Intermediate Similarity 0.8239 NPC151895
Intermediate Similarity 0.8239 NPC88249
Intermediate Similarity 0.8232 NPC60186
Intermediate Similarity 0.8214 NPC475215
Intermediate Similarity 0.8214 NPC108434
Intermediate Similarity 0.821 NPC186063
Intermediate Similarity 0.821 NPC147091
Intermediate Similarity 0.8193 NPC124657
Intermediate Similarity 0.8182 NPC314682
Intermediate Similarity 0.8176 NPC60538
Intermediate Similarity 0.8176 NPC219162
Intermediate Similarity 0.8176 NPC207824
Intermediate Similarity 0.8148 NPC204828
Intermediate Similarity 0.8148 NPC5238
Intermediate Similarity 0.8148 NPC249797
Intermediate Similarity 0.8148 NPC110416
Intermediate Similarity 0.8148 NPC469817
Intermediate Similarity 0.8148 NPC207757
Intermediate Similarity 0.8148 NPC295691
Intermediate Similarity 0.8148 NPC193949
Intermediate Similarity 0.8148 NPC39701
Intermediate Similarity 0.8148 NPC127674
Intermediate Similarity 0.8148 NPC172765
Intermediate Similarity 0.8148 NPC54379
Intermediate Similarity 0.8148 NPC278799
Intermediate Similarity 0.8148 NPC189266
Intermediate Similarity 0.8148 NPC2413
Intermediate Similarity 0.8148 NPC184026
Intermediate Similarity 0.8148 NPC276588
Intermediate Similarity 0.8144 NPC298979
Intermediate Similarity 0.8144 NPC150879
Intermediate Similarity 0.8137 NPC82285
Intermediate Similarity 0.8137 NPC133011
Intermediate Similarity 0.8129 NPC474915
Intermediate Similarity 0.8129 NPC188163
Intermediate Similarity 0.8129 NPC213206
Intermediate Similarity 0.8129 NPC328750
Intermediate Similarity 0.8125 NPC274026
Intermediate Similarity 0.8105 NPC131204
Intermediate Similarity 0.8105 NPC301050
Intermediate Similarity 0.8095 NPC470324
Intermediate Similarity 0.8075 NPC76213
Intermediate Similarity 0.8075 NPC277669
Intermediate Similarity 0.8075 NPC326316
Intermediate Similarity 0.8075 NPC81733
Intermediate Similarity 0.8072 NPC324144
Intermediate Similarity 0.8072 NPC475393
Intermediate Similarity 0.8063 NPC92541
Intermediate Similarity 0.8054 NPC172403
Intermediate Similarity 0.805 NPC90844
Intermediate Similarity 0.805 NPC253883
Intermediate Similarity 0.805 NPC95075
Intermediate Similarity 0.8036 NPC81218
Intermediate Similarity 0.8036 NPC12053
Intermediate Similarity 0.8036 NPC117188
Intermediate Similarity 0.8036 NPC205421
Intermediate Similarity 0.8036 NPC145832
Intermediate Similarity 0.8036 NPC474931
Intermediate Similarity 0.8036 NPC158376
Intermediate Similarity 0.8036 NPC306555
Intermediate Similarity 0.8035 NPC286119
Intermediate Similarity 0.8025 NPC128019
Intermediate Similarity 0.8025 NPC136860
Intermediate Similarity 0.8025 NPC476567
Intermediate Similarity 0.8024 NPC196447
Intermediate Similarity 0.8024 NPC477563
Intermediate Similarity 0.8024 NPC306843
Intermediate Similarity 0.8024 NPC212794
Intermediate Similarity 0.8024 NPC96603
Intermediate Similarity 0.8024 NPC13504
Intermediate Similarity 0.8024 NPC78222
Intermediate Similarity 0.8024 NPC136508
Intermediate Similarity 0.8024 NPC253043
Intermediate Similarity 0.8 NPC111485
Intermediate Similarity 0.8 NPC95426
Intermediate Similarity 0.8 NPC16357
Intermediate Similarity 0.8 NPC302245
Intermediate Similarity 0.8 NPC130941
Intermediate Similarity 0.8 NPC476331
Intermediate Similarity 0.8 NPC7467
Intermediate Similarity 0.7989 NPC229373
Intermediate Similarity 0.7989 NPC251735
Intermediate Similarity 0.7989 NPC54654
Intermediate Similarity 0.7989 NPC328155
Intermediate Similarity 0.7989 NPC271013
Intermediate Similarity 0.7989 NPC8836
Intermediate Similarity 0.7989 NPC290582
Intermediate Similarity 0.7989 NPC104196
Intermediate Similarity 0.7989 NPC42663
Intermediate Similarity 0.7989 NPC222661
Intermediate Similarity 0.7989 NPC181796
Intermediate Similarity 0.7989 NPC49075
Intermediate Similarity 0.7989 NPC279228
Intermediate Similarity 0.7989 NPC258657
Intermediate Similarity 0.7989 NPC217748
Intermediate Similarity 0.7989 NPC7715
Intermediate Similarity 0.7989 NPC182052
Intermediate Similarity 0.7989 NPC15414
Intermediate Similarity 0.7989 NPC290005
Intermediate Similarity 0.7989 NPC185639
Intermediate Similarity 0.7989 NPC239824
Intermediate Similarity 0.7989 NPC223690
Intermediate Similarity 0.7989 NPC90998
Intermediate Similarity 0.7989 NPC285931
Intermediate Similarity 0.7989 NPC311973
Intermediate Similarity 0.7989 NPC30779
Intermediate Similarity 0.7988 NPC180756
Intermediate Similarity 0.7988 NPC323443
Intermediate Similarity 0.7976 NPC35627
Intermediate Similarity 0.7976 NPC476573
Intermediate Similarity 0.7976 NPC81247
Intermediate Similarity 0.7975 NPC2295
Intermediate Similarity 0.7975 NPC477564
Intermediate Similarity 0.7966 NPC206900
Intermediate Similarity 0.7964 NPC124433
Intermediate Similarity 0.7964 NPC1229
Intermediate Similarity 0.7964 NPC293871
Intermediate Similarity 0.7955 NPC139783
Intermediate Similarity 0.7955 NPC65312
Intermediate Similarity 0.7952 NPC249274
Intermediate Similarity 0.7952 NPC205167
Intermediate Similarity 0.7947 NPC160193
Intermediate Similarity 0.7943 NPC274716
Intermediate Similarity 0.7943 NPC254441
Intermediate Similarity 0.7943 NPC167116
Intermediate Similarity 0.7941 NPC476751
Intermediate Similarity 0.7937 NPC476144
Intermediate Similarity 0.7937 NPC144863
Intermediate Similarity 0.7937 NPC210437
Intermediate Similarity 0.7937 NPC106295
Intermediate Similarity 0.7937 NPC51957
Intermediate Similarity 0.7937 NPC16107
Intermediate Similarity 0.7935 NPC193528
Intermediate Similarity 0.7925 NPC130926
Intermediate Similarity 0.7917 NPC238530
Intermediate Similarity 0.7917 NPC276944
Intermediate Similarity 0.7917 NPC4138
Intermediate Similarity 0.7917 NPC121275
Intermediate Similarity 0.7917 NPC232514
Intermediate Similarity 0.7917 NPC169743
Intermediate Similarity 0.7917 NPC284183
Intermediate Similarity 0.791 NPC275680
Intermediate Similarity 0.791 NPC22115
Intermediate Similarity 0.7892 NPC477080
Intermediate Similarity 0.7892 NPC118804
Intermediate Similarity 0.7888 NPC475959
Intermediate Similarity 0.7882 NPC204908
Intermediate Similarity 0.7882 NPC83198
Intermediate Similarity 0.7877 NPC478093
Intermediate Similarity 0.7871 NPC42793
Intermediate Similarity 0.7871 NPC231884
Intermediate Similarity 0.7871 NPC167944
Intermediate Similarity 0.7853 NPC52475
Intermediate Similarity 0.7853 NPC116465
Intermediate Similarity 0.7853 NPC212237
Intermediate Similarity 0.7844 NPC97072
Intermediate Similarity 0.7844 NPC266753
Intermediate Similarity 0.7844 NPC232924
Intermediate Similarity 0.7844 NPC306902
Intermediate Similarity 0.7844 NPC215829
Intermediate Similarity 0.7844 NPC160298
Intermediate Similarity 0.7844 NPC477559
Intermediate Similarity 0.7836 NPC118274

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  505.36
ALogP  0.9346
MLogP  4.65
XLogP  9.768
HDA  1
HBD  1
Rotatable Bonds  15
TPSA  41.93
RO5 Violation  1