Drug Information

Drug ID:  NPD7520
Drug Name:  
Molecular Formula:  C30H48O3
Canonical SMILES:  CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O
Standard InCHI:  InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
Standard InCHIKey:  QGJZLNKBHJESQX-FZFNOLFKSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7520

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 NPC264317
High Similarity 1.0 NPC294438
High Similarity 0.9875 NPC2783
High Similarity 0.9875 NPC12774
High Similarity 0.9753 NPC269360
High Similarity 0.9753 NPC33768
High Similarity 0.9753 NPC264005
High Similarity 0.9634 NPC474719
High Similarity 0.9634 NPC16377
High Similarity 0.9634 NPC471900
High Similarity 0.9518 NPC220498
High Similarity 0.9518 NPC213832
High Similarity 0.9518 NPC57954
High Similarity 0.95 NPC472743
High Similarity 0.95 NPC475726
High Similarity 0.9405 NPC169933
High Similarity 0.9398 NPC4309
High Similarity 0.9383 NPC475745
High Similarity 0.9383 NPC74595
High Similarity 0.9383 NPC474482
High Similarity 0.9383 NPC264665
High Similarity 0.9294 NPC475416
High Similarity 0.9286 NPC271974
High Similarity 0.9286 NPC247312
High Similarity 0.9268 NPC292553
High Similarity 0.9186 NPC287118
High Similarity 0.9186 NPC291373
High Similarity 0.9186 NPC471902
High Similarity 0.9186 NPC224060
High Similarity 0.9186 NPC244356
High Similarity 0.9186 NPC473690
High Similarity 0.9167 NPC146937
High Similarity 0.9157 NPC98236
High Similarity 0.9157 NPC472738
High Similarity 0.9157 NPC269396
High Similarity 0.9146 NPC474233
High Similarity 0.9146 NPC475509
High Similarity 0.908 NPC277399
High Similarity 0.908 NPC303863
High Similarity 0.907 NPC471901
High Similarity 0.907 NPC160506
High Similarity 0.9048 NPC142361
High Similarity 0.9048 NPC474684
High Similarity 0.9048 NPC4643
High Similarity 0.9048 NPC57469
High Similarity 0.9036 NPC98270
High Similarity 0.9036 NPC201655
High Similarity 0.9024 NPC245866
High Similarity 0.9024 NPC471037
High Similarity 0.9024 NPC5280
High Similarity 0.9 NPC192744
High Similarity 0.9 NPC201459
High Similarity 0.8987 NPC298168
High Similarity 0.8987 NPC143133
High Similarity 0.8987 NPC68828
High Similarity 0.8941 NPC472739
High Similarity 0.8929 NPC187545
High Similarity 0.8929 NPC28252
High Similarity 0.8929 NPC55309
High Similarity 0.8837 NPC474704
High Similarity 0.8837 NPC475921
High Similarity 0.8824 NPC88716
High Similarity 0.8824 NPC51700
High Similarity 0.8824 NPC130577
High Similarity 0.8824 NPC68160
High Similarity 0.8824 NPC293564
High Similarity 0.8824 NPC307426
High Similarity 0.8824 NPC142415
High Similarity 0.8824 NPC159046
High Similarity 0.8824 NPC233836
High Similarity 0.8824 NPC18064
High Similarity 0.8824 NPC171203
High Similarity 0.8824 NPC98442
High Similarity 0.8824 NPC102683
High Similarity 0.8824 NPC242468
High Similarity 0.8824 NPC187376
High Similarity 0.881 NPC76518
High Similarity 0.878 NPC474484
High Similarity 0.878 NPC103754
High Similarity 0.875 NPC475061
High Similarity 0.875 NPC66105
High Similarity 0.8734 NPC212733
High Similarity 0.8734 NPC104387
High Similarity 0.8734 NPC178383
High Similarity 0.8734 NPC231256
High Similarity 0.8734 NPC212879
High Similarity 0.8734 NPC240235
High Similarity 0.8721 NPC242864
High Similarity 0.8721 NPC52169
High Similarity 0.8721 NPC470629
High Similarity 0.8721 NPC40552
High Similarity 0.8721 NPC246708
High Similarity 0.8721 NPC290690
High Similarity 0.8721 NPC182797
High Similarity 0.8721 NPC17733
High Similarity 0.8721 NPC181225
High Similarity 0.8721 NPC473242
High Similarity 0.8721 NPC474512
High Similarity 0.8706 NPC80590
High Similarity 0.8706 NPC168231
High Similarity 0.8706 NPC70661
High Similarity 0.8706 NPC155011
High Similarity 0.8706 NPC72638
High Similarity 0.869 NPC263974
High Similarity 0.8675 NPC170985
High Similarity 0.8659 NPC206735
High Similarity 0.8659 NPC164999
High Similarity 0.8642 NPC63020
High Similarity 0.8636 NPC189520
High Similarity 0.8625 NPC246445
High Similarity 0.8625 NPC78067
High Similarity 0.8625 NPC4209
High Similarity 0.8625 NPC14112
High Similarity 0.8625 NPC93662
High Similarity 0.8625 NPC86305
High Similarity 0.8625 NPC278091
High Similarity 0.8621 NPC130520
High Similarity 0.8621 NPC77168
High Similarity 0.8621 NPC121798
High Similarity 0.8621 NPC263393
High Similarity 0.8621 NPC225585
High Similarity 0.8621 NPC290972
High Similarity 0.8621 NPC127689
High Similarity 0.8621 NPC161751
High Similarity 0.8621 NPC95246
High Similarity 0.8621 NPC470588
High Similarity 0.8621 NPC128496
High Similarity 0.8621 NPC274330
High Similarity 0.8621 NPC84271
High Similarity 0.8621 NPC474972
High Similarity 0.8621 NPC102414
High Similarity 0.8621 NPC270768
High Similarity 0.8621 NPC293048
High Similarity 0.8621 NPC59263
High Similarity 0.8621 NPC143232
High Similarity 0.8621 NPC234346
High Similarity 0.8621 NPC25906
High Similarity 0.8621 NPC198664
High Similarity 0.8621 NPC474686
High Similarity 0.8621 NPC61543
High Similarity 0.8621 NPC64872
High Similarity 0.8608 NPC280026
High Similarity 0.8608 NPC167702
High Similarity 0.8608 NPC192638
High Similarity 0.8608 NPC62657
High Similarity 0.8608 NPC25511
High Similarity 0.8605 NPC134197
High Similarity 0.8571 NPC175410
High Similarity 0.8571 NPC291320
High Similarity 0.8571 NPC471036
High Similarity 0.8571 NPC472740
High Similarity 0.8556 NPC288906
High Similarity 0.8556 NPC279974
High Similarity 0.8556 NPC205173
High Similarity 0.8556 NPC263135
High Similarity 0.8556 NPC266431
High Similarity 0.8554 NPC328264
High Similarity 0.8539 NPC474436
High Similarity 0.8539 NPC470375
High Similarity 0.8539 NPC470376
High Similarity 0.8539 NPC63118
High Similarity 0.8539 NPC294263
High Similarity 0.8539 NPC49776
High Similarity 0.8539 NPC470224
High Similarity 0.8537 NPC305835
High Similarity 0.8523 NPC18872
High Similarity 0.8523 NPC469400
High Similarity 0.8523 NPC210037
High Similarity 0.8523 NPC290614
High Similarity 0.8523 NPC291028
High Similarity 0.8523 NPC470589
High Similarity 0.8523 NPC477872
High Similarity 0.8523 NPC471896
High Similarity 0.8523 NPC227467
High Similarity 0.8523 NPC126369
High Similarity 0.8523 NPC86372
High Similarity 0.8523 NPC130278
High Similarity 0.8523 NPC120968
High Similarity 0.8523 NPC7260
High Similarity 0.8523 NPC111110
High Similarity 0.8523 NPC273621
High Similarity 0.8523 NPC172361
High Similarity 0.8519 NPC119355
High Similarity 0.8519 NPC474433
High Similarity 0.8519 NPC202540
High Similarity 0.8519 NPC207010
High Similarity 0.8519 NPC317913
High Similarity 0.8519 NPC212241
High Similarity 0.8519 NPC248830
High Similarity 0.8506 NPC211162
High Similarity 0.8506 NPC183374
High Similarity 0.8506 NPC193360
High Similarity 0.85 NPC195155
High Similarity 0.85 NPC174964
High Similarity 0.85 NPC97534
Intermediate Similarity 0.8481 NPC244708
Intermediate Similarity 0.8481 NPC330659
Intermediate Similarity 0.8481 NPC36310
Intermediate Similarity 0.8481 NPC161187
Intermediate Similarity 0.8471 NPC146683

Drug Structure

External Identifiers

TTD   DNC014848
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   64971
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  456.36
ALogP  2.3495
MLogP  4.43
XLogP  9.407
HDA  3
HBD  2
Rotatable Bonds  10
TPSA  57.53
RO5 Violation  1