Drug Information

Drug ID:  NPD8083
Drug Name:  Erythromycin Stearate
Molecular Formula:  C37H67NO13.C18H36O2
Canonical SMILES:  CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O
Standard InCHI:  InChI=1S/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1
Standard InCHIKey:  YAVZHCFFUATPRK-YZPBMOCRSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8083

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 NPC227622
High Similarity 0.9394 NPC137453
Intermediate Similarity 0.8087 NPC313333
Intermediate Similarity 0.8087 NPC314451
Intermediate Similarity 0.8087 NPC313342
Intermediate Similarity 0.8087 NPC314512
Intermediate Similarity 0.8 NPC314629
Intermediate Similarity 0.7949 NPC314282
Intermediate Similarity 0.7946 NPC6531
Intermediate Similarity 0.7909 NPC1111
Intermediate Similarity 0.7909 NPC261750
Intermediate Similarity 0.7857 NPC30196
Intermediate Similarity 0.7833 NPC316401
Intermediate Similarity 0.7815 NPC315387
Intermediate Similarity 0.7815 NPC316205
Intermediate Similarity 0.7748 NPC60432
Intermediate Similarity 0.7692 NPC316133
Intermediate Similarity 0.7692 NPC318445
Intermediate Similarity 0.7553 NPC474003
Intermediate Similarity 0.75 NPC314364
Intermediate Similarity 0.7404 NPC470283
Intermediate Similarity 0.7228 NPC470657
Intermediate Similarity 0.7217 NPC28224
Intermediate Similarity 0.7203 NPC477515
Intermediate Similarity 0.7203 NPC313802
Intermediate Similarity 0.7203 NPC67917
Intermediate Similarity 0.7203 NPC314268
Intermediate Similarity 0.7157 NPC51662
Intermediate Similarity 0.7157 NPC31349
Intermediate Similarity 0.7087 NPC470284
Intermediate Similarity 0.7071 NPC186992
Intermediate Similarity 0.7071 NPC475270
Intermediate Similarity 0.7071 NPC477347
Intermediate Similarity 0.7071 NPC238056
Intermediate Similarity 0.7071 NPC475667
Intermediate Similarity 0.7071 NPC476087
Intermediate Similarity 0.7071 NPC297768
Intermediate Similarity 0.7071 NPC269318
Intermediate Similarity 0.7071 NPC173328
Intermediate Similarity 0.7071 NPC475327
Intermediate Similarity 0.703 NPC125253
Intermediate Similarity 0.703 NPC253975
Intermediate Similarity 0.703 NPC192025
Remote Similarity 0.699 NPC470282
Remote Similarity 0.697 NPC471420
Remote Similarity 0.6967 NPC315783
Remote Similarity 0.6961 NPC83839
Remote Similarity 0.6931 NPC60849
Remote Similarity 0.6931 NPC477332
Remote Similarity 0.6931 NPC472352
Remote Similarity 0.6887 NPC270005
Remote Similarity 0.6887 NPC208537
Remote Similarity 0.6875 NPC120420
Remote Similarity 0.6869 NPC477344
Remote Similarity 0.6869 NPC85759
Remote Similarity 0.6869 NPC22742
Remote Similarity 0.6869 NPC294748
Remote Similarity 0.6869 NPC158302
Remote Similarity 0.6869 NPC477346
Remote Similarity 0.6869 NPC146992
Remote Similarity 0.6863 NPC476523
Remote Similarity 0.6847 NPC42320
Remote Similarity 0.6847 NPC188453
Remote Similarity 0.6832 NPC248415
Remote Similarity 0.6832 NPC47135
Remote Similarity 0.6822 NPC99864
Remote Similarity 0.681 NPC470622
Remote Similarity 0.6809 NPC211428
Remote Similarity 0.6809 NPC285003
Remote Similarity 0.6809 NPC241265
Remote Similarity 0.6771 NPC291228
Remote Similarity 0.6771 NPC206823
Remote Similarity 0.6771 NPC308096
Remote Similarity 0.6768 NPC150557
Remote Similarity 0.6765 NPC320936
Remote Similarity 0.6733 NPC472201
Remote Similarity 0.6733 NPC44782
Remote Similarity 0.6733 NPC477319
Remote Similarity 0.6733 NPC477317
Remote Similarity 0.6733 NPC183888
Remote Similarity 0.6733 NPC472202
Remote Similarity 0.6733 NPC472205
Remote Similarity 0.6733 NPC126685
Remote Similarity 0.6733 NPC115013
Remote Similarity 0.6733 NPC89843
Remote Similarity 0.6733 NPC27289
Remote Similarity 0.6733 NPC477318
Remote Similarity 0.6733 NPC472203
Remote Similarity 0.6733 NPC472204
Remote Similarity 0.6733 NPC307400
Remote Similarity 0.6733 NPC259294
Remote Similarity 0.6733 NPC477331
Remote Similarity 0.6733 NPC123204
Remote Similarity 0.6733 NPC184915
Remote Similarity 0.6733 NPC290012
Remote Similarity 0.6733 NPC224953
Remote Similarity 0.6733 NPC143421
Remote Similarity 0.6733 NPC119583
Remote Similarity 0.6733 NPC169345
Remote Similarity 0.6733 NPC472200
Remote Similarity 0.6702 NPC97736
Remote Similarity 0.6702 NPC50228
Remote Similarity 0.6699 NPC473791
Remote Similarity 0.6667 NPC469998
Remote Similarity 0.6667 NPC476783
Remote Similarity 0.6667 NPC476782
Remote Similarity 0.6667 NPC216883
Remote Similarity 0.6667 NPC474952
Remote Similarity 0.6667 NPC184550
Remote Similarity 0.6667 NPC185419
Remote Similarity 0.6667 NPC476781
Remote Similarity 0.6638 NPC469826
Remote Similarity 0.6637 NPC313569
Remote Similarity 0.6637 NPC80640
Remote Similarity 0.6636 NPC160066
Remote Similarity 0.6635 NPC51267
Remote Similarity 0.6634 NPC267592
Remote Similarity 0.6612 NPC39485
Remote Similarity 0.6612 NPC221196
Remote Similarity 0.661 NPC469824
Remote Similarity 0.6609 NPC471844
Remote Similarity 0.6607 NPC469871
Remote Similarity 0.6607 NPC469870
Remote Similarity 0.6604 NPC470009
Remote Similarity 0.6598 NPC9763
Remote Similarity 0.6598 NPC225748
Remote Similarity 0.6598 NPC39266
Remote Similarity 0.6598 NPC163812
Remote Similarity 0.6598 NPC169085
Remote Similarity 0.6596 NPC477754
Remote Similarity 0.6596 NPC477761
Remote Similarity 0.6596 NPC286842
Remote Similarity 0.6596 NPC477760
Remote Similarity 0.6596 NPC477758
Remote Similarity 0.6596 NPC477759
Remote Similarity 0.6596 NPC206601
Remote Similarity 0.6581 NPC87393
Remote Similarity 0.6571 NPC477728
Remote Similarity 0.6566 NPC477350
Remote Similarity 0.6555 NPC157571
Remote Similarity 0.6552 NPC203974
Remote Similarity 0.6538 NPC115995
Remote Similarity 0.6525 NPC66513
Remote Similarity 0.6522 NPC267637
Remote Similarity 0.6522 NPC470167
Remote Similarity 0.6515 NPC145899
Remote Similarity 0.6496 NPC207693
Remote Similarity 0.6491 NPC471254
Remote Similarity 0.6491 NPC470172
Remote Similarity 0.6489 NPC477756
Remote Similarity 0.6489 NPC477751
Remote Similarity 0.6489 NPC477764
Remote Similarity 0.6489 NPC477752
Remote Similarity 0.6466 NPC184805
Remote Similarity 0.6466 NPC273189
Remote Similarity 0.646 NPC80417
Remote Similarity 0.6452 NPC305261
Remote Similarity 0.6441 NPC469825
Remote Similarity 0.6441 NPC22709
Remote Similarity 0.6441 NPC315836
Remote Similarity 0.6441 NPC228190
Remote Similarity 0.6441 NPC236753
Remote Similarity 0.6441 NPC313668
Remote Similarity 0.6439 NPC75318
Remote Similarity 0.6436 NPC146380
Remote Similarity 0.6436 NPC477320
Remote Similarity 0.6436 NPC109887
Remote Similarity 0.6436 NPC473984
Remote Similarity 0.6436 NPC477323
Remote Similarity 0.6436 NPC281563
Remote Similarity 0.6436 NPC475425
Remote Similarity 0.6436 NPC477330
Remote Similarity 0.6436 NPC477328
Remote Similarity 0.6436 NPC477326
Remote Similarity 0.6436 NPC477329
Remote Similarity 0.6436 NPC113745
Remote Similarity 0.6436 NPC475616
Remote Similarity 0.6436 NPC477325
Remote Similarity 0.6435 NPC34562
Remote Similarity 0.6435 NPC473406
Remote Similarity 0.6435 NPC471253
Remote Similarity 0.6429 NPC74466
Remote Similarity 0.6429 NPC472273
Remote Similarity 0.6418 NPC243680
Remote Similarity 0.6418 NPC200788
Remote Similarity 0.6417 NPC477489
Remote Similarity 0.6415 NPC476717
Remote Similarity 0.641 NPC471430
Remote Similarity 0.641 NPC126753
Remote Similarity 0.6404 NPC478181
Remote Similarity 0.6396 NPC322188
Remote Similarity 0.6396 NPC215570
Remote Similarity 0.6383 NPC190418
Remote Similarity 0.6383 NPC12040
Remote Similarity 0.6383 NPC76881
Remote Similarity 0.6383 NPC471761
Remote Similarity 0.6383 NPC471760
Remote Similarity 0.6379 NPC469827
Remote Similarity 0.6373 NPC474702
Remote Similarity 0.6364 NPC478036

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  733.46
ALogP  -2.4621
MLogP  3.99
XLogP  1.141
HDA  14
HBD  5
Rotatable Bonds  25
TPSA  193.91
RO5 Violation  1