Natural Product: NPC75609

Natural Product ID:  NPC75609
Common Name:   Thiazomycin E3
IUPAC Name:  
Synonyms:   Thiazomycin E3
Molecular Formula:   C38H35N11O13S5
Standard InCHIKey:  JOFGHASJDDDCJI-ILPMOVDRSA-N
Standard InCHI:  InChI=1S/C38H35N11O13S5/c1-11(51)21-32(59)48-22(12(2)62-3)35-44-19(10-66-35)31(58)49-25(26(53)27(54)38(60)61)37-45-17(9-67-37)29(56)40-14(5-50)34-41-15(6-64-34)23-13(33-43-18(8-63-33)30(57)47-21)4-20(52)24(46-23)36-42-16(7-65-36)28(39)55/h4,6-11,14,21,25-27,50-54H,5H2,1-3H3,(H2,39,55)(H,40,56)(H,47,57)(H,48,59)(H,49,58)(H,60,61)/b22-12+/t11-,14+,21+,25+,26+,27+/m1/s1
Canonical SMILES:  CO/C(=C1/N=C(O)[C@@H](N=C(O)c2csc(n2)c2cc(O)c(nc2c2csc(n2)[C@@H](N=C(c2nc([C@@H](N=C(c3nc1sc3)O)[C@@H]([C@@H](C(=O)O)O)O)sc2)O)CO)c1scc(n1)C(=N)O)[C@H](O)C)/C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO30090 Amycolatopsis fastidiosa Species Pseudonocardiaceae Bacteria PMID[19334707]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 200 ug/ml 18605717
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 200 ug/ml 15332848
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 200 ug/ml 15332848

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC75609 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC140284
0.9271 High Similarity NPC197881
0.8382 Intermediate Similarity NPC470900
0.8121 Intermediate Similarity NPC470901
0.8075 Intermediate Similarity NPC315061
0.8057 Intermediate Similarity NPC216507
0.8028 Intermediate Similarity NPC115282
0.7865 Intermediate Similarity NPC315411
0.75 Intermediate Similarity NPC478030
0.7196 Intermediate Similarity NPC314254
0.7196 Intermediate Similarity NPC313966
0.6653 Remote Similarity NPC49051
0.664 Remote Similarity NPC79386
0.663 Remote Similarity NPC315893
0.663 Remote Similarity NPC313587
0.663 Remote Similarity NPC316110
0.6628 Remote Similarity NPC475196
0.6628 Remote Similarity NPC477516
0.6576 Remote Similarity NPC478141
0.656 Remote Similarity NPC475350
0.656 Remote Similarity NPC145178
0.656 Remote Similarity NPC14877
0.6553 Remote Similarity NPC249662
0.6548 Remote Similarity NPC251036
0.6528 Remote Similarity NPC477633
0.6504 Remote Similarity NPC478029
0.6491 Remote Similarity NPC478028
0.6487 Remote Similarity NPC314056
0.6484 Remote Similarity NPC314270
0.6484 Remote Similarity NPC153400
0.6444 Remote Similarity NPC478011
0.6444 Remote Similarity NPC478012
0.6421 Remote Similarity NPC314176
0.6418 Remote Similarity NPC478013
0.6395 Remote Similarity NPC313804
0.6395 Remote Similarity NPC476103
0.6395 Remote Similarity NPC315804
0.6375 Remote Similarity NPC96016
0.6349 Remote Similarity NPC316403
0.6329 Remote Similarity NPC476080
0.6329 Remote Similarity NPC475534
0.6329 Remote Similarity NPC161242
0.632 Remote Similarity NPC470784
0.6312 Remote Similarity NPC153467
0.6296 Remote Similarity NPC477861
0.6296 Remote Similarity NPC188104
0.6291 Remote Similarity NPC165964
0.6276 Remote Similarity NPC229160
0.6276 Remote Similarity NPC263485
0.6276 Remote Similarity NPC174652
0.6276 Remote Similarity NPC25316
0.6259 Remote Similarity NPC474183
0.625 Remote Similarity NPC150447
0.6234 Remote Similarity NPC475330
0.6232 Remote Similarity NPC477635
0.6232 Remote Similarity NPC477630
0.6231 Remote Similarity NPC220852
0.6226 Remote Similarity NPC186351
0.6222 Remote Similarity NPC184680
0.6222 Remote Similarity NPC285343
0.6222 Remote Similarity NPC28945
0.62 Remote Similarity NPC18487
0.6199 Remote Similarity NPC470785
0.6192 Remote Similarity NPC478006
0.619 Remote Similarity NPC39092
0.6189 Remote Similarity NPC238242
0.6182 Remote Similarity NPC178858
0.6172 Remote Similarity NPC237901
0.6172 Remote Similarity NPC195788
0.6172 Remote Similarity NPC469589
0.6169 Remote Similarity NPC49195
0.6165 Remote Similarity NPC244536
0.6157 Remote Similarity NPC14288
0.6154 Remote Similarity NPC165538
0.6154 Remote Similarity NPC478009
0.6154 Remote Similarity NPC478010
0.6148 Remote Similarity NPC263937
0.6148 Remote Similarity NPC94428
0.6142 Remote Similarity NPC33949
0.614 Remote Similarity NPC178664
0.6139 Remote Similarity NPC250448
0.6139 Remote Similarity NPC469592
0.6139 Remote Similarity NPC471080
0.6138 Remote Similarity NPC329961
0.6138 Remote Similarity NPC477634
0.6138 Remote Similarity NPC122427
0.6135 Remote Similarity NPC472436
0.6131 Remote Similarity NPC473312
0.613 Remote Similarity NPC312645
0.6122 Remote Similarity NPC128115
0.6119 Remote Similarity NPC322135
0.6119 Remote Similarity NPC315467
0.6119 Remote Similarity NPC27324
0.6119 Remote Similarity NPC268676
0.6111 Remote Similarity NPC323198
0.6111 Remote Similarity NPC323752
0.6107 Remote Similarity NPC469594
0.6107 Remote Similarity NPC314882
0.6105 Remote Similarity NPC261251
0.6094 Remote Similarity NPC244741
0.6093 Remote Similarity NPC473800
0.6092 Remote Similarity NPC74969
0.6089 Remote Similarity NPC325976
0.6089 Remote Similarity NPC475619
0.6088 Remote Similarity NPC260909
0.6085 Remote Similarity NPC5145
0.6082 Remote Similarity NPC314954
0.6082 Remote Similarity NPC100547
0.6077 Remote Similarity NPC89508
0.6077 Remote Similarity NPC74562
0.6077 Remote Similarity NPC316181
0.6077 Remote Similarity NPC151781
0.6067 Remote Similarity NPC319232
0.6067 Remote Similarity NPC214142
0.6067 Remote Similarity NPC24370
0.6065 Remote Similarity NPC469734
0.6059 Remote Similarity NPC95240
0.6059 Remote Similarity NPC223409
0.6056 Remote Similarity NPC41982
0.6052 Remote Similarity NPC63279
0.6045 Remote Similarity NPC124920
0.6045 Remote Similarity NPC304307
0.6045 Remote Similarity NPC34580
0.6045 Remote Similarity NPC118559
0.6044 Remote Similarity NPC15801
0.6043 Remote Similarity NPC471891
0.6042 Remote Similarity NPC258048
0.6039 Remote Similarity NPC476098
0.6038 Remote Similarity NPC473317
0.6038 Remote Similarity NPC60621
0.6037 Remote Similarity NPC469858
0.6031 Remote Similarity NPC85702
0.603 Remote Similarity NPC125597
0.6029 Remote Similarity NPC297642
0.6028 Remote Similarity NPC478080
0.6028 Remote Similarity NPC472435
0.6022 Remote Similarity NPC82472
0.6015 Remote Similarity NPC54803
0.6015 Remote Similarity NPC321592
0.6015 Remote Similarity NPC469554
0.5993 Remote Similarity NPC152620
0.5985 Remote Similarity NPC223791
0.5985 Remote Similarity NPC107077
0.5984 Remote Similarity NPC314394
0.5979 Remote Similarity NPC14812
0.5978 Remote Similarity NPC476451
0.5977 Remote Similarity NPC138562
0.5977 Remote Similarity NPC165599
0.5969 Remote Similarity NPC88008
0.5968 Remote Similarity NPC472284
0.5964 Remote Similarity NPC41679
0.5957 Remote Similarity NPC171393
0.5957 Remote Similarity NPC295452
0.5951 Remote Similarity NPC314573
0.5945 Remote Similarity NPC473639
0.5941 Remote Similarity NPC24990
0.5941 Remote Similarity NPC326363
0.5936 Remote Similarity NPC329982
0.5935 Remote Similarity NPC320394
0.5934 Remote Similarity NPC284888
0.593 Remote Similarity NPC472287
0.593 Remote Similarity NPC472286
0.5923 Remote Similarity NPC215837
0.5921 Remote Similarity NPC81175
0.5916 Remote Similarity NPC473493
0.5916 Remote Similarity NPC472098
0.5915 Remote Similarity NPC116573
0.5914 Remote Similarity NPC75498
0.5912 Remote Similarity NPC245055
0.5912 Remote Similarity NPC182222
0.5912 Remote Similarity NPC33064
0.5909 Remote Similarity NPC148183
0.5909 Remote Similarity NPC152768
0.5909 Remote Similarity NPC183407
0.5909 Remote Similarity NPC469928
0.5909 Remote Similarity NPC330009
0.5907 Remote Similarity NPC91868
0.5907 Remote Similarity NPC63971
0.5906 Remote Similarity NPC102008
0.5906 Remote Similarity NPC306376
0.59 Remote Similarity NPC187255
0.5891 Remote Similarity NPC314648
0.5891 Remote Similarity NPC57453
0.5891 Remote Similarity NPC470500
0.5884 Remote Similarity NPC477585
0.5884 Remote Similarity NPC477588
0.5884 Remote Similarity NPC477590
0.5884 Remote Similarity NPC477586
0.5882 Remote Similarity NPC476167
0.5882 Remote Similarity NPC187558
0.5878 Remote Similarity NPC279589
0.5878 Remote Similarity NPC291609
0.5878 Remote Similarity NPC316224
0.5875 Remote Similarity NPC182507
0.5865 Remote Similarity NPC303658
0.5859 Remote Similarity NPC45048
0.5857 Remote Similarity NPC472434
0.5853 Remote Similarity NPC317572
0.5853 Remote Similarity NPC223427
0.5853 Remote Similarity NPC143325

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC75609 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.6912 Remote Similarity NPD8284 Discontinued
0.6899 Remote Similarity NPD3074 Discontinued
0.6894 Remote Similarity NPD3328 Phase 2
0.6767 Remote Similarity NPD6205 Discontinued
0.6593 Remote Similarity NPD7769 Phase 3
0.6585 Remote Similarity NPD8107 Approved
0.6565 Remote Similarity NPD8253 Phase 3
0.6543 Remote Similarity NPD3127 Clinical (unspecified phase)
0.6514 Remote Similarity NPD8108 Approved
0.6417 Remote Similarity NPD5452 Phase 2
0.6407 Remote Similarity NPD8489 Phase 1
0.6394 Remote Similarity NPD7816 Clinical (unspecified phase)
0.6389 Remote Similarity NPD7416 Clinical (unspecified phase)
0.6386 Remote Similarity NPD8061 Clinical (unspecified phase)
0.637 Remote Similarity NPD7770 Phase 3
0.6356 Remote Similarity NPD7946 Pre-registration
0.6342 Remote Similarity NPD5191 Clinical (unspecified phase)
0.6295 Remote Similarity NPD8255 Phase 2
0.6291 Remote Similarity NPD8101 Phase 3
0.6291 Remote Similarity NPD7873 Clinical (unspecified phase)
0.6282 Remote Similarity NPD8370 Discontinued
0.6277 Remote Similarity NPD6276 Discontinued
0.6274 Remote Similarity NPD6246 Approved
0.625 Remote Similarity NPD7711 Discontinued
0.6226 Remote Similarity NPD8430 Approved
0.6218 Remote Similarity NPD7868 Clinical (unspecified phase)
0.6198 Remote Similarity NPD8356 Approved
0.6182 Remote Similarity NPD8100 Phase 3
0.6172 Remote Similarity NPD8465 Approved
0.6172 Remote Similarity NPD8466 Approved
0.6172 Remote Similarity NPD8467 Approved
0.6168 Remote Similarity NPD6495 Clinical (unspecified phase)
0.6165 Remote Similarity NPD4086 Phase 1
0.6163 Remote Similarity NPD8096 Phase 3
0.6163 Remote Similarity NPD8097 Phase 3
0.6151 Remote Similarity NPD6627 Discontinued
0.6145 Remote Similarity NPD534 Phase 2
0.6145 Remote Similarity NPD537 Phase 2
0.6143 Remote Similarity NPD4438 Approved
0.6142 Remote Similarity NPD8098 Approved
0.6139 Remote Similarity NPD4331 Approved
0.6135 Remote Similarity NPD8395 Approved
0.6135 Remote Similarity NPD8396 Approved
0.6132 Remote Similarity NPD8363 Approved
0.6132 Remote Similarity NPD8364 Approved
0.6128 Remote Similarity NPD7540 Clinical (unspecified phase)
0.6119 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6107 Remote Similarity NPD3759 Clinical (unspecified phase)
0.6105 Remote Similarity NPD4884 Discovery
0.6103 Remote Similarity NPD7691 Clinical (unspecified phase)
0.6097 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6092 Remote Similarity NPD8160 Phase 2
0.609 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6089 Remote Similarity NPD7807 Clinical (unspecified phase)
0.6088 Remote Similarity NPD8460 Approved
0.6088 Remote Similarity NPD8425 Approved
0.6088 Remote Similarity NPD8426 Approved
0.6088 Remote Similarity NPD8459 Approved
0.6073 Remote Similarity NPD5316 Approved
0.6073 Remote Similarity NPD8116 Phase 3
0.6073 Remote Similarity NPD8117 Approved
0.607 Remote Similarity NPD5461 Discontinued
0.6069 Remote Similarity NPD5453 Phase 2
0.6069 Remote Similarity NPD1976 Approved
0.6063 Remote Similarity NPD6023 Discontinued
0.6062 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6062 Remote Similarity NPD8429 Approved
0.6062 Remote Similarity NPD8428 Approved
0.6062 Remote Similarity NPD8427 Approved
0.6062 Remote Similarity NPD7468 Clinical (unspecified phase)
0.6058 Remote Similarity NPD7241 Phase 3
0.6058 Remote Similarity NPD7242 Phase 3
0.6056 Remote Similarity NPD1219 Approved
0.6056 Remote Similarity NPD1218 Approved
0.6054 Remote Similarity NPD4897 Phase 2
0.6049 Remote Similarity NPD6456 Discontinued
0.6047 Remote Similarity NPD7941 Phase 3
0.6043 Remote Similarity NPD7214 Phase 3
0.6043 Remote Similarity NPD6450 Phase 2
0.6039 Remote Similarity NPD6324 Phase 1
0.6031 Remote Similarity NPD7496 Phase 2
0.6031 Remote Similarity NPD8322 Phase 2
0.6023 Remote Similarity NPD4900 Clinical (unspecified phase)
0.602 Remote Similarity NPD7181 Phase 3
0.6016 Remote Similarity NPD7712 Clinical (unspecified phase)
0.6015 Remote Similarity NPD3611 Phase 3
0.6014 Remote Similarity NPD5857 Phase 3
0.6007 Remote Similarity NPD7603 Discontinued
0.6 Remote Similarity NPD7215 Phase 2
0.6 Remote Similarity NPD2893 Phase 3
0.6 Remote Similarity NPD8512 Phase 3
0.6 Remote Similarity NPD1897 Discontinued
0.5992 Remote Similarity NPD4901 Clinical (unspecified phase)
0.5986 Remote Similarity NPD6207 Discovery
0.5979 Remote Similarity NPD7227 Phase 3
0.5979 Remote Similarity NPD7226 Phase 3
0.5977 Remote Similarity NPD7726 Phase 1
0.5956 Remote Similarity NPD7796 Approved
0.5956 Remote Similarity NPD4928 Approved
0.5956 Remote Similarity NPD7797 Approved
0.5956 Remote Similarity NPD4929 Approved
0.5956 Remote Similarity NPD4930 Approved
0.5955 Remote Similarity NPD6824 Clinical (unspecified phase)
0.5953 Remote Similarity NPD56 Approved
0.5953 Remote Similarity NPD8283 Approved
0.5953 Remote Similarity NPD8282 Approved
0.5945 Remote Similarity NPD6756 Phase 1
0.5943 Remote Similarity NPD3986 Discontinued
0.5942 Remote Similarity NPD3292 Discontinued
0.5941 Remote Similarity NPD4898 Clinical (unspecified phase)
0.5928 Remote Similarity NPD8421 Discontinued
0.5927 Remote Similarity NPD2749 Discontinued
0.5927 Remote Similarity NPD3488 Phase 1
0.5926 Remote Similarity NPD7553 Discontinued
0.5918 Remote Similarity NPD5506 Approved
0.5918 Remote Similarity NPD5507 Approved
0.5915 Remote Similarity NPD8247 Approved
0.5915 Remote Similarity NPD8246 Approved
0.5914 Remote Similarity NPD5047 Clinical (unspecified phase)
0.5914 Remote Similarity NPD6888 Discontinued
0.5907 Remote Similarity NPD8071 Approved
0.5907 Remote Similarity NPD8324 Phase 2
0.5906 Remote Similarity NPD7778 Approved
0.5906 Remote Similarity NPD53 Approved
0.5906 Remote Similarity NPD7929 Approved
0.5906 Remote Similarity NPD7928 Approved
0.5906 Remote Similarity NPD7777 Approved
0.5893 Remote Similarity NPD5817 Discontinued
0.5889 Remote Similarity NPD5867 Clinical (unspecified phase)
0.5887 Remote Similarity NPD6475 Phase 2
0.5885 Remote Similarity NPD8260 Approved
0.5884 Remote Similarity NPD7025 Clinical (unspecified phase)
0.5884 Remote Similarity NPD7655 Discontinued
0.5884 Remote Similarity NPD2921 Clinical (unspecified phase)
0.5884 Remote Similarity NPD6134 Phase 2
0.5878 Remote Similarity NPD5534 Clinical (unspecified phase)
0.5875 Remote Similarity NPD4134 Clinical (unspecified phase)
0.5866 Remote Similarity NPD6988 Phase 1
0.5865 Remote Similarity NPD8109 Clinical (unspecified phase)
0.5861 Remote Similarity NPD7806 Phase 2
0.5861 Remote Similarity NPD6159 Phase 2
0.5851 Remote Similarity NPD5171 Clinical (unspecified phase)
0.5851 Remote Similarity NPD8102 Discontinued
0.5849 Remote Similarity NPD5101 Discontinued
0.5848 Remote Similarity NPD2414 Clinical (unspecified phase)
0.5847 Remote Similarity NPD8525 Approved
0.5846 Remote Similarity NPD796 Phase 2
0.5844 Remote Similarity NPD158 Discontinued
0.5843 Remote Similarity NPD7194 Discontinued
0.5843 Remote Similarity NPD3875 Discontinued
0.5842 Remote Similarity NPD8349 Phase 1
0.5836 Remote Similarity NPD8359 Phase 2
0.5831 Remote Similarity NPD7403 Phase 1
0.583 Remote Similarity NPD6155 Phase 1
0.5827 Remote Similarity NPD5059 Clinical (unspecified phase)
0.5825 Remote Similarity NPD8463 Approved
0.5824 Remote Similarity NPD8423 Phase 2
0.5824 Remote Similarity NPD8399 Phase 1
0.582 Remote Similarity NPD2175 Phase 3
0.582 Remote Similarity NPD2177 Approved
0.582 Remote Similarity NPD2176 Approved
0.582 Remote Similarity NPD1768 Approved
0.5818 Remote Similarity NPD4850 Phase 1
0.5817 Remote Similarity NPD4502 Phase 2
0.5815 Remote Similarity NPD6173 Approved
0.5815 Remote Similarity NPD5046 Discontinued
0.5809 Remote Similarity NPD6978 Phase 2
0.5809 Remote Similarity NPD6977 Clinical (unspecified phase)
0.5808 Remote Similarity NPD8403 Phase 1
0.5808 Remote Similarity NPD3003 Approved
0.5805 Remote Similarity NPD8405 Clinical (unspecified phase)
0.5804 Remote Similarity NPD5003 Discontinued
0.5801 Remote Similarity NPD3756 Phase 1
0.5801 Remote Similarity NPD5483 Clinical (unspecified phase)
0.58 Remote Similarity NPD2383 Phase 1
0.5797 Remote Similarity NPD3838 Phase 3
0.5797 Remote Similarity NPD5018 Phase 3
0.5796 Remote Similarity NPD7865 Approved
0.5791 Remote Similarity NPD7544 Discontinued
0.5788 Remote Similarity NPD4442 Phase 2
0.5788 Remote Similarity NPD6508 Approved
0.5787 Remote Similarity NPD8339 Clinical (unspecified phase)
0.5786 Remote Similarity NPD6716 Phase 1
0.5784 Remote Similarity NPD6455 Phase 3
0.5784 Remote Similarity NPD8484 Phase 2
0.5782 Remote Similarity NPD7031 Phase 1
0.5782 Remote Similarity NPD4569 Clinical (unspecified phase)
0.5782 Remote Similarity NPD3746 Discontinued
0.578 Remote Similarity NPD5488 Discontinued
0.5779 Remote Similarity NPD5420 Discontinued
0.5778 Remote Similarity NPD6209 Approved
0.5775 Remote Similarity NPD5482 Discontinued
0.5771 Remote Similarity NPD5317 Clinical (unspecified phase)
0.5769 Remote Similarity NPD8272 Phase 2
0.5766 Remote Similarity NPD5842 Clinical (unspecified phase)
0.5766 Remote Similarity NPD1745 Approved
0.5762 Remote Similarity NPD6717 Clinical (unspecified phase)
0.5761 Remote Similarity NPD7558 Phase 2
0.5761 Remote Similarity NPD4373 Phase 2
0.5761 Remote Similarity NPD2123 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL554806
ZINC  

Physicochemical Properties

Molecular Weight:  1013.10
ALogP:  -0.7115
MLogP:  2.45
XLogP:  0.476
# Rotatable Bonds:  22
Polar Surface Area:  540.66
# H-Bond Aceptor:  23
# H-Bond Donor:  12
# Rings:  7
# Heavy Atoms:  67

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs