Drug Information

Drug ID:  NPD8392
Drug Name:  Spiramycin
Molecular Formula:  C43H74N2O14
Canonical SMILES:  O=CC[C@H]1C[C@@H](C)[C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@H]1C[C@@](C)(O)[C@H]([C@@H](O1)C)O)OC)O)C)O[C@H]1CC[C@@H]([C@@H](O1)C)N(C)C
Standard InCHI:  InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1
Standard InCHIKey:  ACTOXUHEUCPTEW-KWBWCIJSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD8392

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 0.9583 NPC314282
High Similarity 0.9417 NPC314451
High Similarity 0.9417 NPC314512
High Similarity 0.9417 NPC313333
High Similarity 0.9417 NPC313342
High Similarity 0.8968 NPC316401
High Similarity 0.896 NPC315387
High Similarity 0.896 NPC316205
High Similarity 0.871 NPC314629
High Similarity 0.856 NPC316133
High Similarity 0.856 NPC318445
Intermediate Similarity 0.8387 NPC314268
Intermediate Similarity 0.8387 NPC477515
Intermediate Similarity 0.8387 NPC67917
Intermediate Similarity 0.8387 NPC313802
Intermediate Similarity 0.8226 NPC6531
Intermediate Similarity 0.8145 NPC30196
Intermediate Similarity 0.8125 NPC315783
Intermediate Similarity 0.8049 NPC261750
Intermediate Similarity 0.8049 NPC1111
Intermediate Similarity 0.7903 NPC60432
Intermediate Similarity 0.775 NPC227622
Intermediate Similarity 0.7664 NPC99864
Intermediate Similarity 0.7591 NPC120420
Intermediate Similarity 0.752 NPC315836
Intermediate Similarity 0.752 NPC313668
Intermediate Similarity 0.748 NPC469869
Intermediate Similarity 0.7424 NPC469812
Intermediate Similarity 0.7424 NPC183353
Intermediate Similarity 0.7424 NPC170880
Intermediate Similarity 0.736 NPC137453
Intermediate Similarity 0.7302 NPC193765
Intermediate Similarity 0.7293 NPC156379
Intermediate Similarity 0.7293 NPC475383
Intermediate Similarity 0.728 NPC476738
Intermediate Similarity 0.728 NPC476740
Intermediate Similarity 0.7273 NPC241050
Intermediate Similarity 0.7258 NPC309398
Intermediate Similarity 0.7252 NPC475642
Intermediate Similarity 0.7226 NPC329919
Intermediate Similarity 0.7226 NPC477793
Intermediate Similarity 0.7165 NPC473807
Intermediate Similarity 0.7164 NPC473228
Intermediate Similarity 0.7164 NPC470829
Intermediate Similarity 0.7154 NPC469871
Intermediate Similarity 0.7154 NPC469870
Intermediate Similarity 0.7132 NPC29501
Intermediate Similarity 0.712 NPC474581
Intermediate Similarity 0.712 NPC475367
Intermediate Similarity 0.712 NPC473816
Intermediate Similarity 0.7086 NPC265699
Intermediate Similarity 0.7073 NPC187761
Intermediate Similarity 0.7073 NPC261377
Intermediate Similarity 0.7073 NPC83895
Intermediate Similarity 0.7073 NPC255592
Intermediate Similarity 0.7073 NPC308567
Intermediate Similarity 0.7068 NPC13710
Intermediate Similarity 0.7039 NPC100612
Intermediate Similarity 0.7039 NPC174336
Intermediate Similarity 0.7039 NPC475599
Intermediate Similarity 0.7039 NPC113620
Intermediate Similarity 0.7039 NPC187497
Intermediate Similarity 0.7037 NPC23963
Intermediate Similarity 0.7031 NPC475150
Intermediate Similarity 0.7027 NPC316249
Intermediate Similarity 0.7021 NPC314361
Intermediate Similarity 0.7014 NPC200788
Intermediate Similarity 0.7014 NPC243680
Intermediate Similarity 0.7 NPC126897
Intermediate Similarity 0.7 NPC21713
Intermediate Similarity 0.7 NPC475608
Intermediate Similarity 0.7 NPC297945
Remote Similarity 0.6993 NPC145899
Remote Similarity 0.6992 NPC40812
Remote Similarity 0.6974 NPC475527
Remote Similarity 0.696 NPC2313
Remote Similarity 0.696 NPC57586
Remote Similarity 0.696 NPC475655
Remote Similarity 0.696 NPC471637
Remote Similarity 0.696 NPC475157
Remote Similarity 0.696 NPC154132
Remote Similarity 0.6947 NPC469865
Remote Similarity 0.6942 NPC320089
Remote Similarity 0.6923 NPC75318
Remote Similarity 0.6923 NPC83005
Remote Similarity 0.6918 NPC172365
Remote Similarity 0.6918 NPC82931
Remote Similarity 0.6918 NPC210729
Remote Similarity 0.6894 NPC75167
Remote Similarity 0.6894 NPC311592
Remote Similarity 0.6892 NPC475892
Remote Similarity 0.6885 NPC472198
Remote Similarity 0.6885 NPC71589
Remote Similarity 0.6875 NPC315070
Remote Similarity 0.6875 NPC475918
Remote Similarity 0.686 NPC472199
Remote Similarity 0.686 NPC472197
Remote Similarity 0.6853 NPC76999
Remote Similarity 0.6853 NPC78189
Remote Similarity 0.685 NPC197736
Remote Similarity 0.6846 NPC473578
Remote Similarity 0.6842 NPC181145
Remote Similarity 0.6838 NPC314482
Remote Similarity 0.6838 NPC48692
Remote Similarity 0.6828 NPC230889
Remote Similarity 0.6824 NPC475394
Remote Similarity 0.6824 NPC475584
Remote Similarity 0.6824 NPC475152
Remote Similarity 0.6815 NPC201889
Remote Similarity 0.6815 NPC475309
Remote Similarity 0.6815 NPC106791
Remote Similarity 0.6806 NPC235772
Remote Similarity 0.6806 NPC280941
Remote Similarity 0.6803 NPC478037
Remote Similarity 0.6803 NPC478036
Remote Similarity 0.6797 NPC231271
Remote Similarity 0.6797 NPC470519
Remote Similarity 0.6783 NPC73829
Remote Similarity 0.6783 NPC119794
Remote Similarity 0.6777 NPC313670
Remote Similarity 0.6774 NPC180722
Remote Similarity 0.6774 NPC165332
Remote Similarity 0.6774 NPC195645
Remote Similarity 0.6772 NPC313569
Remote Similarity 0.6769 NPC475960
Remote Similarity 0.6763 NPC469494
Remote Similarity 0.6759 NPC472430
Remote Similarity 0.6755 NPC244380
Remote Similarity 0.6755 NPC61717
Remote Similarity 0.6744 NPC478038
Remote Similarity 0.6738 NPC470475
Remote Similarity 0.6738 NPC470476
Remote Similarity 0.6721 NPC470379
Remote Similarity 0.6721 NPC470373
Remote Similarity 0.672 NPC472290
Remote Similarity 0.6718 NPC133625
Remote Similarity 0.6715 NPC477140
Remote Similarity 0.6715 NPC477143
Remote Similarity 0.6713 NPC475472
Remote Similarity 0.6692 NPC174836
Remote Similarity 0.6691 NPC45475
Remote Similarity 0.6691 NPC93688
Remote Similarity 0.6691 NPC109603
Remote Similarity 0.6691 NPC235625
Remote Similarity 0.669 NPC110700
Remote Similarity 0.669 NPC472428
Remote Similarity 0.669 NPC279915
Remote Similarity 0.6667 NPC476779
Remote Similarity 0.6667 NPC470780
Remote Similarity 0.6667 NPC46407
Remote Similarity 0.6644 NPC127656
Remote Similarity 0.6641 NPC477198
Remote Similarity 0.6641 NPC473596
Remote Similarity 0.664 NPC54731
Remote Similarity 0.6623 NPC298067
Remote Similarity 0.6623 NPC214821
Remote Similarity 0.6621 NPC477072
Remote Similarity 0.6621 NPC476777
Remote Similarity 0.6621 NPC476778
Remote Similarity 0.6621 NPC329636
Remote Similarity 0.6619 NPC473231
Remote Similarity 0.6619 NPC275343
Remote Similarity 0.6617 NPC316984
Remote Similarity 0.6617 NPC30911
Remote Similarity 0.6615 NPC201128
Remote Similarity 0.6613 NPC5418
Remote Similarity 0.6597 NPC139585
Remote Similarity 0.6597 NPC477195
Remote Similarity 0.6594 NPC476127
Remote Similarity 0.6594 NPC473130
Remote Similarity 0.6594 NPC476150
Remote Similarity 0.6587 NPC266842
Remote Similarity 0.6575 NPC194716
Remote Similarity 0.6575 NPC158350
Remote Similarity 0.6573 NPC470912
Remote Similarity 0.6571 NPC2370
Remote Similarity 0.6571 NPC41129
Remote Similarity 0.6571 NPC44716
Remote Similarity 0.6569 NPC120599
Remote Similarity 0.6569 NPC200412
Remote Similarity 0.6569 NPC473617
Remote Similarity 0.6569 NPC473828
Remote Similarity 0.6569 NPC156336
Remote Similarity 0.6562 NPC154127
Remote Similarity 0.656 NPC36954
Remote Similarity 0.6558 NPC298005
Remote Similarity 0.6558 NPC36463
Remote Similarity 0.6556 NPC193579
Remote Similarity 0.6556 NPC298469
Remote Similarity 0.6556 NPC141669
Remote Similarity 0.6554 NPC75616
Remote Similarity 0.6552 NPC225791
Remote Similarity 0.6552 NPC469749
Remote Similarity 0.6552 NPC476221
Remote Similarity 0.6552 NPC146857
Remote Similarity 0.6552 NPC32793
Remote Similarity 0.6552 NPC247190
Remote Similarity 0.6552 NPC116075
Remote Similarity 0.6552 NPC477709
Remote Similarity 0.6549 NPC204556

Drug Structure

External Identifiers

TTD  
DrugBank   DB06145
ChEMBL   CHEMBL1908369
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   85260
CAS Number  24916-50-5

Drug Properties

Molecular Weight  842.51
ALogP  -2.2778
MLogP  4.43
XLogP  1.929
HDA  16
HBD  4
Rotatable Bonds  26
TPSA  195.38
RO5 Violation  2