Drug Information

Drug ID:  NPD7517
Drug Name:  Retapamulin
Molecular Formula:  C30H47NO4S
Canonical SMILES:  C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3
Standard InCHI:  InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1
Standard InCHIKey:  STZYTFJPGGDRJD-NHUWBDDWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD7517

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
Remote Similarity 0.6822 NPC476952
Remote Similarity 0.68 NPC63511
Remote Similarity 0.6791 NPC470537
Remote Similarity 0.6791 NPC280903
Remote Similarity 0.6769 NPC35037
Remote Similarity 0.6667 NPC119329
Remote Similarity 0.6667 NPC475239
Remote Similarity 0.6638 NPC312637
Remote Similarity 0.6613 NPC195841
Remote Similarity 0.6613 NPC233256
Remote Similarity 0.6591 NPC88190
Remote Similarity 0.6589 NPC135431
Remote Similarity 0.6538 NPC470538
Remote Similarity 0.6538 NPC209252
Remote Similarity 0.6515 NPC475340
Remote Similarity 0.648 NPC86906
Remote Similarity 0.6438 NPC193753
Remote Similarity 0.6438 NPC160222
Remote Similarity 0.6423 NPC476951
Remote Similarity 0.6393 NPC91604
Remote Similarity 0.6385 NPC106479
Remote Similarity 0.6379 NPC167877
Remote Similarity 0.6371 NPC476755
Remote Similarity 0.6341 NPC239768
Remote Similarity 0.6341 NPC128698
Remote Similarity 0.6324 NPC473477
Remote Similarity 0.632 NPC140723
Remote Similarity 0.632 NPC97336
Remote Similarity 0.632 NPC265094
Remote Similarity 0.632 NPC98765
Remote Similarity 0.6316 NPC471109
Remote Similarity 0.6304 NPC317654
Remote Similarity 0.6304 NPC96010
Remote Similarity 0.6296 NPC476504
Remote Similarity 0.6296 NPC238323
Remote Similarity 0.629 NPC474327
Remote Similarity 0.629 NPC224720
Remote Similarity 0.629 NPC476223
Remote Similarity 0.629 NPC476240
Remote Similarity 0.6281 NPC174117
Remote Similarity 0.6281 NPC469599
Remote Similarity 0.6279 NPC473232
Remote Similarity 0.627 NPC212874
Remote Similarity 0.627 NPC255309
Remote Similarity 0.626 NPC220111
Remote Similarity 0.626 NPC28224
Remote Similarity 0.625 NPC469844
Remote Similarity 0.6241 NPC201968
Remote Similarity 0.6231 NPC470534
Remote Similarity 0.6231 NPC79238
Remote Similarity 0.622 NPC96377
Remote Similarity 0.6214 NPC470539
Remote Similarity 0.6212 NPC50694
Remote Similarity 0.621 NPC267921
Remote Similarity 0.621 NPC476274
Remote Similarity 0.6207 NPC329738
Remote Similarity 0.6202 NPC218602
Remote Similarity 0.6202 NPC470536
Remote Similarity 0.6198 NPC303863
Remote Similarity 0.619 NPC474775
Remote Similarity 0.6188 NPC473040
Remote Similarity 0.6186 NPC255176
Remote Similarity 0.6179 NPC475894
Remote Similarity 0.6172 NPC176773
Remote Similarity 0.6172 NPC46981
Remote Similarity 0.6172 NPC59530
Remote Similarity 0.6167 NPC154101
Remote Similarity 0.6167 NPC150383
Remote Similarity 0.616 NPC474348
Remote Similarity 0.6159 NPC476503
Remote Similarity 0.6148 NPC98639
Remote Similarity 0.6143 NPC478136
Remote Similarity 0.6142 NPC235889
Remote Similarity 0.6142 NPC29705
Remote Similarity 0.614 NPC232625
Remote Similarity 0.614 NPC209318
Remote Similarity 0.614 NPC223330
Remote Similarity 0.6136 NPC478137
Remote Similarity 0.6124 NPC470535
Remote Similarity 0.6121 NPC100391
Remote Similarity 0.6116 NPC470224
Remote Similarity 0.6116 NPC294263
Remote Similarity 0.6111 NPC15396
Remote Similarity 0.6111 NPC136289
Remote Similarity 0.6098 NPC200054
Remote Similarity 0.6098 NPC29410
Remote Similarity 0.6094 NPC181265
Remote Similarity 0.609 NPC470540
Remote Similarity 0.609 NPC471398
Remote Similarity 0.608 NPC218383
Remote Similarity 0.6077 NPC241927
Remote Similarity 0.6077 NPC258543
Remote Similarity 0.6074 NPC9714
Remote Similarity 0.6074 NPC96731
Remote Similarity 0.6074 NPC470276
Remote Similarity 0.6063 NPC236390
Remote Similarity 0.6063 NPC221421
Remote Similarity 0.6063 NPC264048
Remote Similarity 0.6061 NPC76660
Remote Similarity 0.6061 NPC276995
Remote Similarity 0.6056 NPC478139
Remote Similarity 0.6053 NPC170038
Remote Similarity 0.6053 NPC51507
Remote Similarity 0.605 NPC254572
Remote Similarity 0.605 NPC48824
Remote Similarity 0.605 NPC56413
Remote Similarity 0.605 NPC250687
Remote Similarity 0.605 NPC294480
Remote Similarity 0.605 NPC229407
Remote Similarity 0.6048 NPC107243
Remote Similarity 0.6048 NPC57416
Remote Similarity 0.6048 NPC292133
Remote Similarity 0.6047 NPC244982
Remote Similarity 0.6047 NPC476756
Remote Similarity 0.6033 NPC250753
Remote Similarity 0.6033 NPC471747
Remote Similarity 0.6032 NPC81530
Remote Similarity 0.6032 NPC39683
Remote Similarity 0.6017 NPC6979
Remote Similarity 0.6016 NPC470016
Remote Similarity 0.6016 NPC317586
Remote Similarity 0.6016 NPC310586
Remote Similarity 0.6016 NPC471293
Remote Similarity 0.6 NPC38471
Remote Similarity 0.6 NPC271387
Remote Similarity 0.6 NPC200580
Remote Similarity 0.6 NPC474724
Remote Similarity 0.6 NPC28864
Remote Similarity 0.6 NPC15413
Remote Similarity 0.6 NPC20479
Remote Similarity 0.6 NPC94881
Remote Similarity 0.6 NPC153792
Remote Similarity 0.6 NPC265275
Remote Similarity 0.6 NPC477854
Remote Similarity 0.6 NPC54689
Remote Similarity 0.6 NPC474793
Remote Similarity 0.6 NPC269267
Remote Similarity 0.6 NPC476276
Remote Similarity 0.6 NPC162459
Remote Similarity 0.6 NPC474679
Remote Similarity 0.6 NPC48886
Remote Similarity 0.6 NPC38296
Remote Similarity 0.6 NPC471038
Remote Similarity 0.6 NPC26270
Remote Similarity 0.6 NPC469845
Remote Similarity 0.6 NPC98837
Remote Similarity 0.6 NPC473155
Remote Similarity 0.5985 NPC118860
Remote Similarity 0.5985 NPC231589
Remote Similarity 0.5985 NPC214797
Remote Similarity 0.5984 NPC473928
Remote Similarity 0.5984 NPC152897
Remote Similarity 0.5984 NPC25750
Remote Similarity 0.5984 NPC204450
Remote Similarity 0.5984 NPC224060
Remote Similarity 0.5984 NPC470656
Remote Similarity 0.5984 NPC195290
Remote Similarity 0.5984 NPC477054
Remote Similarity 0.5984 NPC206810
Remote Similarity 0.5984 NPC56498
Remote Similarity 0.5984 NPC66429
Remote Similarity 0.5984 NPC164551
Remote Similarity 0.5984 NPC470254
Remote Similarity 0.5984 NPC244356
Remote Similarity 0.5984 NPC147272
Remote Similarity 0.5982 NPC476601
Remote Similarity 0.597 NPC474181
Remote Similarity 0.597 NPC145501
Remote Similarity 0.5969 NPC164600
Remote Similarity 0.5969 NPC278628
Remote Similarity 0.5969 NPC236644
Remote Similarity 0.5969 NPC231530
Remote Similarity 0.5969 NPC103172
Remote Similarity 0.5968 NPC125622
Remote Similarity 0.5968 NPC104568
Remote Similarity 0.5968 NPC13949
Remote Similarity 0.5968 NPC228766
Remote Similarity 0.5968 NPC322063
Remote Similarity 0.5968 NPC165528
Remote Similarity 0.5968 NPC256227
Remote Similarity 0.5968 NPC328371
Remote Similarity 0.5968 NPC289140
Remote Similarity 0.5968 NPC42042
Remote Similarity 0.5966 NPC312215
Remote Similarity 0.5966 NPC251808
Remote Similarity 0.5966 NPC474174
Remote Similarity 0.5965 NPC118987
Remote Similarity 0.5956 NPC474006
Remote Similarity 0.5954 NPC41405
Remote Similarity 0.5954 NPC253645
Remote Similarity 0.5954 NPC95920
Remote Similarity 0.5954 NPC474725
Remote Similarity 0.5954 NPC85001
Remote Similarity 0.5954 NPC147835
Remote Similarity 0.5952 NPC477521
Remote Similarity 0.5952 NPC266955
Remote Similarity 0.5952 NPC293866
Remote Similarity 0.5952 NPC476303
Remote Similarity 0.5952 NPC205899
Remote Similarity 0.595 NPC153853

Drug Structure

External Identifiers

TTD   DAP000886
DrugBank   DB01256
ChEMBL   CHEMBL566434
IUPHAR/BPS  
PharmaGKB   PA164749341
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  224452-66-8

Drug Properties

Molecular Weight  517.32
ALogP  -0.2331
MLogP  4.1
XLogP  4.998
HDA  5
HBD  1
Rotatable Bonds  12
TPSA  92.14
RO5 Violation  0