Natural Product: NPC477996

Natural Product ID:  NPC477996
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H27Cl3N2O5
Standard InCHIKey:  HYDZZTKLIACTQZ-NLBVGZHFSA-N
Standard InCHI:  InChI=1S/C25H27Cl3N2O5/c1-11-6-7-15(26)22(2,3)12(11)9-25-21(34)18-17(13(31)8-14(32)19(18)30-29)20(33)24(25,28)10-16(27)23(4,5)35-25/h8,12,15-16,31H,1,6-7,9-10H2,2-5H3/t12-,15+,16-,24+,25+/m1/s1
Canonical SMILES:  [N-]=[N+]=C1C(=O)C=C(C2=C1C(=O)[C@]1([C@](C2=O)(Cl)C[C@H](C(O1)(C)C)Cl)C[C@@H]1C(=C)CC[C@@H](C1(C)C)Cl)O
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
NPO2873.1 Streptomyces antimycoticus nt17 Subspecies Streptomycetaceae Bacteria PMID[18271555]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 3700 nM 18271555
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 3700 nM 18271555
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 14800 nM 18271555
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 14800 nM 18271555

  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 NPC477996 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
0.9917 High Similarity NPC471691
0.9512 High Similarity NPC471692
0.9417 High Similarity NPC477995
0.6667 Remote Similarity NPC131366
0.6644 Remote Similarity NPC473396
0.6562 Remote Similarity NPC472972
0.6541 Remote Similarity NPC20192
0.6538 Remote Similarity NPC230918
0.651 Remote Similarity NPC473233
0.6504 Remote Similarity NPC474918
0.6503 Remote Similarity NPC287903
0.6471 Remote Similarity NPC472926
0.6466 Remote Similarity NPC168883
0.6439 Remote Similarity NPC85529
0.6439 Remote Similarity NPC32006
0.6429 Remote Similarity NPC473145
0.6429 Remote Similarity NPC478051
0.6418 Remote Similarity NPC470615
0.6418 Remote Similarity NPC300026
0.6418 Remote Similarity NPC250018
0.6406 Remote Similarity NPC471916
0.6403 Remote Similarity NPC251310
0.6397 Remote Similarity NPC193948
0.6389 Remote Similarity NPC156797
0.6389 Remote Similarity NPC478207
0.6385 Remote Similarity NPC470184
0.6371 Remote Similarity NPC65615
0.6371 Remote Similarity NPC472676
0.6371 Remote Similarity NPC68148
0.6371 Remote Similarity NPC472688
0.637 Remote Similarity NPC476290
0.6357 Remote Similarity NPC472933
0.6357 Remote Similarity NPC245320
0.635 Remote Similarity NPC159333
0.6349 Remote Similarity NPC242637
0.6331 Remote Similarity NPC472927
0.6331 Remote Similarity NPC472934
0.6328 Remote Similarity NPC272411
0.6324 Remote Similarity NPC188738
0.6324 Remote Similarity NPC171888
0.6324 Remote Similarity NPC146945
0.6324 Remote Similarity NPC34315
0.6316 Remote Similarity NPC292588
0.6312 Remote Similarity NPC476815
0.6312 Remote Similarity NPC31641
0.6308 Remote Similarity NPC104861
0.6304 Remote Similarity NPC247069
0.6304 Remote Similarity NPC261330
0.6296 Remote Similarity NPC87335
0.629 Remote Similarity NPC72397
0.6288 Remote Similarity NPC275583
0.6288 Remote Similarity NPC320294
0.6288 Remote Similarity NPC297281
0.6288 Remote Similarity NPC95899
0.6288 Remote Similarity NPC179208
0.6288 Remote Similarity NPC473144
0.6286 Remote Similarity NPC21326
0.6279 Remote Similarity NPC170131
0.6277 Remote Similarity NPC476269
0.6269 Remote Similarity NPC472925
0.6269 Remote Similarity NPC202524
0.626 Remote Similarity NPC207885
0.626 Remote Similarity NPC472637
0.625 Remote Similarity NPC24651
0.625 Remote Similarity NPC210005
0.625 Remote Similarity NPC476729
0.625 Remote Similarity NPC471672
0.625 Remote Similarity NPC470922
0.6241 Remote Similarity NPC213366
0.6241 Remote Similarity NPC40170
0.624 Remote Similarity NPC36668
0.624 Remote Similarity NPC118011
0.6235 Remote Similarity NPC311679
0.6235 Remote Similarity NPC131078
0.6232 Remote Similarity NPC472929
0.6232 Remote Similarity NPC321496
0.6232 Remote Similarity NPC7921
0.6232 Remote Similarity NPC208998
0.6232 Remote Similarity NPC471204
0.6224 Remote Similarity NPC312833
0.6222 Remote Similarity NPC322903
0.6216 Remote Similarity NPC476193
0.6214 Remote Similarity NPC476190
0.6214 Remote Similarity NPC216335
0.6204 Remote Similarity NPC207689
0.6197 Remote Similarity NPC112038
0.6197 Remote Similarity NPC476962
0.6194 Remote Similarity NPC478052
0.619 Remote Similarity NPC223093
0.6181 Remote Similarity NPC120724
0.6181 Remote Similarity NPC16709
0.6181 Remote Similarity NPC67251
0.6181 Remote Similarity NPC91693
0.6181 Remote Similarity NPC265557
0.6181 Remote Similarity NPC18945
0.6181 Remote Similarity NPC105926
0.6179 Remote Similarity NPC8518
0.6179 Remote Similarity NPC132228
0.6179 Remote Similarity NPC263997
0.6172 Remote Similarity NPC474882
0.617 Remote Similarity NPC17772
0.617 Remote Similarity NPC470776
0.617 Remote Similarity NPC297179
0.6165 Remote Similarity NPC320154
0.6164 Remote Similarity NPC476008
0.616 Remote Similarity NPC58271
0.616 Remote Similarity NPC53454
0.6159 Remote Similarity NPC245017
0.6159 Remote Similarity NPC7797
0.6148 Remote Similarity NPC199107
0.6148 Remote Similarity NPC232969
0.6143 Remote Similarity NPC329869
0.6143 Remote Similarity NPC476963
0.6142 Remote Similarity NPC73457
0.6136 Remote Similarity NPC112613
0.6133 Remote Similarity NPC78189
0.6133 Remote Similarity NPC296617
0.6131 Remote Similarity NPC286880
0.6129 Remote Similarity NPC239685
0.6127 Remote Similarity NPC470777
0.6124 Remote Similarity NPC777
0.6122 Remote Similarity NPC477712
0.6122 Remote Similarity NPC477713
0.6116 Remote Similarity NPC55869
0.6116 Remote Similarity NPC225515
0.6115 Remote Similarity NPC474271
0.6115 Remote Similarity NPC51978
0.6115 Remote Similarity NPC326264
0.6107 Remote Similarity NPC470185
0.6103 Remote Similarity NPC293850
0.6103 Remote Similarity NPC89171
0.6103 Remote Similarity NPC476802
0.6099 Remote Similarity NPC476959
0.6099 Remote Similarity NPC122033
0.6099 Remote Similarity NPC474654
0.6099 Remote Similarity NPC287343
0.6099 Remote Similarity NPC470854
0.6099 Remote Similarity NPC243298
0.6099 Remote Similarity NPC470775
0.6099 Remote Similarity NPC97908
0.6099 Remote Similarity NPC176513
0.6096 Remote Similarity NPC477745
0.6096 Remote Similarity NPC181999
0.6094 Remote Similarity NPC263780
0.609 Remote Similarity NPC163249
0.609 Remote Similarity NPC80781
0.6087 Remote Similarity NPC317107
0.6087 Remote Similarity NPC324683
0.6087 Remote Similarity NPC115303
0.6087 Remote Similarity NPC472928
0.608 Remote Similarity NPC272039
0.608 Remote Similarity NPC220930
0.6077 Remote Similarity NPC94337
0.6074 Remote Similarity NPC469607
0.6074 Remote Similarity NPC1679
0.6071 Remote Similarity NPC473798
0.6071 Remote Similarity NPC470953
0.6069 Remote Similarity NPC108948
0.6063 Remote Similarity NPC213636
0.6063 Remote Similarity NPC280592
0.6063 Remote Similarity NPC474209
0.6063 Remote Similarity NPC212369
0.6063 Remote Similarity NPC253177
0.6063 Remote Similarity NPC113393
0.6063 Remote Similarity NPC475823
0.6061 Remote Similarity NPC110897
0.6061 Remote Similarity NPC46761
0.6058 Remote Similarity NPC141350
0.6058 Remote Similarity NPC286174
0.6058 Remote Similarity NPC220705
0.6058 Remote Similarity NPC77947
0.6056 Remote Similarity NPC188667
0.6056 Remote Similarity NPC204552
0.6048 Remote Similarity NPC6185
0.6048 Remote Similarity NPC15807
0.6048 Remote Similarity NPC241512
0.6047 Remote Similarity NPC301846
0.6047 Remote Similarity NPC196227
0.6047 Remote Similarity NPC474328
0.6047 Remote Similarity NPC160413
0.6045 Remote Similarity NPC90177
0.6045 Remote Similarity NPC478057
0.6043 Remote Similarity NPC90952
0.6043 Remote Similarity NPC317687
0.6043 Remote Similarity NPC277769
0.6042 Remote Similarity NPC470921
0.6033 Remote Similarity NPC108955
0.6032 Remote Similarity NPC307298
0.6032 Remote Similarity NPC475001
0.6032 Remote Similarity NPC269677
0.6032 Remote Similarity NPC185059
0.6031 Remote Similarity NPC208094
0.6031 Remote Similarity NPC134083
0.6028 Remote Similarity NPC474734
0.6028 Remote Similarity NPC207217
0.6028 Remote Similarity NPC251236
0.6028 Remote Similarity NPC478216
0.6028 Remote Similarity NPC328374
0.6028 Remote Similarity NPC40632
0.6028 Remote Similarity NPC152199

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477996 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
0.6544 Remote Similarity NPD5167 Approved
0.6383 Remote Similarity NPD5983 Phase 2
0.6357 Remote Similarity NPD7100 Approved
0.6345 Remote Similarity NPD6033 Approved
0.6324 Remote Similarity NPD5215 Approved
0.6319 Remote Similarity NPD6336 Discontinued
0.6259 Remote Similarity NPD6868 Approved
0.6259 Remote Similarity NPD6914 Discontinued
0.6241 Remote Similarity NPD7101 Approved
0.6222 Remote Similarity NPD5168 Approved
0.6204 Remote Similarity NPD5217 Approved
0.6204 Remote Similarity NPD5216 Approved
0.617 Remote Similarity NPD6314 Approved
0.617 Remote Similarity NPD6313 Approved
0.617 Remote Similarity NPD6335 Approved
0.6149 Remote Similarity NPD5956 Approved
0.6131 Remote Similarity NPD5169 Approved
0.6127 Remote Similarity NPD4522 Approved
0.6124 Remote Similarity NPD5654 Approved
0.6094 Remote Similarity NPD5133 Approved
0.6087 Remote Similarity NPD5127 Approved
0.6031 Remote Similarity NPD5959 Approved
0.5984 Remote Similarity NPD7285 Clinical (unspecified phase)
0.597 Remote Similarity NPD5091 Approved
0.594 Remote Similarity NPD6404 Discontinued
0.5902 Remote Similarity NPD4695 Discontinued
0.5887 Remote Similarity NPD4632 Approved
0.5874 Remote Similarity NPD6009 Approved
0.5873 Remote Similarity NPD5280 Approved
0.5873 Remote Similarity NPD4694 Approved
0.587 Remote Similarity NPD5128 Approved
0.5846 Remote Similarity NPD5778 Approved
0.5846 Remote Similarity NPD5779 Approved
0.5839 Remote Similarity NPD8074 Phase 3
0.5827 Remote Similarity NPD3573 Approved
0.5814 Remote Similarity NPD5692 Phase 3
0.5797 Remote Similarity NPD6614 Approved
0.5789 Remote Similarity NPD7260 Phase 2
0.5769 Remote Similarity NPD6050 Approved
0.5769 Remote Similarity NPD5694 Approved
0.5769 Remote Similarity NPD6411 Approved
0.5758 Remote Similarity NPD5695 Phase 3
0.5753 Remote Similarity NPD6054 Approved
0.5753 Remote Similarity NPD6059 Approved
0.5753 Remote Similarity NPD6319 Approved
0.5743 Remote Similarity NPD7604 Phase 2
0.5743 Remote Similarity NPD8328 Phase 3
0.5735 Remote Similarity NPD5211 Phase 2
0.5725 Remote Similarity NPD5739 Approved
0.5725 Remote Similarity NPD6402 Approved
0.5725 Remote Similarity NPD6675 Approved
0.5725 Remote Similarity NPD7128 Approved
0.5714 Remote Similarity NPD6015 Approved
0.5714 Remote Similarity NPD6016 Approved
0.5714 Remote Similarity NPD4697 Phase 3
0.5714 Remote Similarity NPD6372 Approved
0.5714 Remote Similarity NPD6373 Approved
0.5692 Remote Similarity NPD4096 Approved
0.5683 Remote Similarity NPD5701 Approved
0.5683 Remote Similarity NPD5697 Approved
0.5682 Remote Similarity NPD5282 Discontinued
0.5676 Remote Similarity NPD5988 Approved
0.5676 Remote Similarity NPD6370 Approved
0.5674 Remote Similarity NPD4634 Approved
0.5672 Remote Similarity NPD4755 Approved
0.5669 Remote Similarity NPD6333 Approved
0.5669 Remote Similarity NPD6334 Approved
0.5652 Remote Similarity NPD5141 Approved
0.5643 Remote Similarity NPD6011 Approved
0.5643 Remote Similarity NPD6881 Approved
0.5643 Remote Similarity NPD6899 Approved
0.5643 Remote Similarity NPD7320 Approved
0.5634 Remote Similarity NPD6649 Approved
0.5634 Remote Similarity NPD6650 Approved
0.5625 Remote Similarity NPD5690 Phase 2
0.5625 Remote Similarity NPD4623 Approved
0.5625 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5625 Remote Similarity NPD4519 Discontinued
0.5625 Remote Similarity NPD5279 Phase 3
0.5615 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5615 Remote Similarity NPD6101 Approved
0.5603 Remote Similarity NPD6012 Approved
0.5603 Remote Similarity NPD6014 Approved
0.5603 Remote Similarity NPD6013 Approved
0.56 Remote Similarity NPD7492 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL514262
ZINC  

Physicochemical Properties

Molecular Weight:  540.10
ALogP:  0.7887
MLogP:  3.11
XLogP:  3.239
# Rotatable Bonds:  10
Polar Surface Area:  80.67
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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