Natural Product: NPC275134

Natural Product ID:  NPC275134
Common Name:   Kutzneride 5
IUPAC Name:  
Synonyms:   Kutzneride 5
Molecular Formula:   C36H47Cl2N7O12
Standard InCHIKey:  NIODADNQNLLDEA-MPWFALQJSA-N
Standard InCHI:  InChI=1S/C36H47Cl2N7O12/c1-15(2)26-32(53)45-19(6-5-11-39-45)29(50)40-18(14-56-4)28(49)41-25(21(46)12-22(47)48)31(52)44-20(30(51)43-27(33(54)57-26)35(3)9-10-35)13-36(55)16-7-8-17(37)23(38)24(16)42-34(36)44/h7-8,15,18-21,25-27,34,39,42,46,55H,5-6,9-14H2,1-4H3,(H,40,50)(H,41,49)(H,43,51)(H,47,48)/t18-,19-,20-,21+,25+,26-,27-,34-,36+/m0/s1
Canonical SMILES:  COC[C@@H]1N=C(O)[C@@H]2CCCNN2C(=O)[C@@H](OC(=O)[C@H](N=C([C@H]2N(C(=O)[C@H](N=C1O)[C@@H](CC(=O)O)O)[C@@H]1Nc3c([C@@]1(C2)O)ccc(c3Cl)Cl)O)C1(C)CC1)C(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
NPO32896 Kutzneria sp. 744 Species Pseudonocardiaceae Bacteria PMID[17190458]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 120000 nM Open TG-GATES in vivo data: Hematology
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum MIC = 120000 nM Open TG-GATES in vivo data: Hematology
NPT2647 Organism Drechslera Drechslera MIC > 240000 nM 24582402
NPT1278 Organism Fusarium culmorum Fusarium culmorum MIC > 240000 nM 20149498

  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 NPC275134 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 NPC265592
0.9953 High Similarity NPC44357
0.9953 High Similarity NPC24661
0.986 High Similarity NPC473702
0.986 High Similarity NPC256007
0.9406 High Similarity NPC137437
0.9406 High Similarity NPC112839
0.9364 High Similarity NPC243782
0.7946 Intermediate Similarity NPC471663
0.6804 Remote Similarity NPC285622
0.6514 Remote Similarity NPC68650
0.6463 Remote Similarity NPC471197
0.6456 Remote Similarity NPC469443
0.6437 Remote Similarity NPC471198
0.6431 Remote Similarity NPC323198
0.6405 Remote Similarity NPC471945
0.6405 Remote Similarity NPC471950
0.6405 Remote Similarity NPC470491
0.6405 Remote Similarity NPC475259
0.6402 Remote Similarity NPC14812
0.6391 Remote Similarity NPC307396
0.6379 Remote Similarity NPC471951
0.6379 Remote Similarity NPC471946
0.6364 Remote Similarity NPC472538
0.6351 Remote Similarity NPC471124
0.6333 Remote Similarity NPC471436
0.6322 Remote Similarity NPC225400
0.6322 Remote Similarity NPC470490
0.632 Remote Similarity NPC259626
0.631 Remote Similarity NPC64216
0.6296 Remote Similarity NPC220060
0.6296 Remote Similarity NPC471155
0.6296 Remote Similarity NPC470488
0.6296 Remote Similarity NPC470786
0.6287 Remote Similarity NPC473371
0.6286 Remote Similarity NPC475359
0.6286 Remote Similarity NPC191817
0.6281 Remote Similarity NPC477181
0.6281 Remote Similarity NPC254850
0.6281 Remote Similarity NPC477180
0.6281 Remote Similarity NPC477178
0.6277 Remote Similarity NPC2933
0.627 Remote Similarity NPC469444
0.627 Remote Similarity NPC270241
0.6261 Remote Similarity NPC90967
0.6255 Remote Similarity NPC477173
0.6255 Remote Similarity NPC477174
0.624 Remote Similarity NPC477179
0.624 Remote Similarity NPC248601
0.6234 Remote Similarity NPC256288
0.6234 Remote Similarity NPC477159
0.623 Remote Similarity NPC219350
0.623 Remote Similarity NPC194699
0.6228 Remote Similarity NPC129624
0.6214 Remote Similarity NPC470489
0.6204 Remote Similarity NPC285192
0.62 Remote Similarity NPC244425
0.62 Remote Similarity NPC15384
0.6197 Remote Similarity NPC229484
0.6195 Remote Similarity NPC475204
0.6195 Remote Similarity NPC475123
0.6194 Remote Similarity NPC469445
0.6193 Remote Similarity NPC473341
0.619 Remote Similarity NPC473404
0.6171 Remote Similarity NPC114806
0.6171 Remote Similarity NPC471122
0.617 Remote Similarity NPC292675
0.6154 Remote Similarity NPC282092
0.6154 Remote Similarity NPC473615
0.6151 Remote Similarity NPC475609
0.6151 Remote Similarity NPC219397
0.6143 Remote Similarity NPC73655
0.6129 Remote Similarity NPC469442
0.6129 Remote Similarity NPC277306
0.6126 Remote Similarity NPC24617
0.6123 Remote Similarity NPC46009
0.6122 Remote Similarity NPC277350
0.6118 Remote Similarity NPC276430
0.6116 Remote Similarity NPC477551
0.6115 Remote Similarity NPC220852
0.6111 Remote Similarity NPC299806
0.6111 Remote Similarity NPC281049
0.6107 Remote Similarity NPC28945
0.6102 Remote Similarity NPC474896
0.6101 Remote Similarity NPC475168
0.6101 Remote Similarity NPC7817
0.6091 Remote Similarity NPC470902
0.608 Remote Similarity NPC54744
0.608 Remote Similarity NPC25539
0.6078 Remote Similarity NPC31097
0.6077 Remote Similarity NPC89987
0.6076 Remote Similarity NPC473298
0.6076 Remote Similarity NPC61332
0.6076 Remote Similarity NPC240130
0.6073 Remote Similarity NPC162104
0.6071 Remote Similarity NPC309531
0.6071 Remote Similarity NPC472102
0.6068 Remote Similarity NPC245741
0.6067 Remote Similarity NPC328763
0.6065 Remote Similarity NPC314358
0.6063 Remote Similarity NPC272174
0.6058 Remote Similarity NPC472542
0.6058 Remote Similarity NPC472541
0.6056 Remote Similarity NPC478157
0.6054 Remote Similarity NPC1390
0.6054 Remote Similarity NPC62104
0.6048 Remote Similarity NPC478158
0.6047 Remote Similarity NPC77777
0.6046 Remote Similarity NPC285343
0.6044 Remote Similarity NPC286871
0.6044 Remote Similarity NPC476514
0.6044 Remote Similarity NPC85651
0.6043 Remote Similarity NPC477462
0.6042 Remote Similarity NPC477638
0.6042 Remote Similarity NPC477632
0.6041 Remote Similarity NPC295548
0.6037 Remote Similarity NPC476515
0.6035 Remote Similarity NPC472114
0.6035 Remote Similarity NPC472115
0.6034 Remote Similarity NPC284706
0.6033 Remote Similarity NPC477550
0.6033 Remote Similarity NPC477552
0.6033 Remote Similarity NPC323662
0.6026 Remote Similarity NPC470112
0.6026 Remote Similarity NPC470903
0.6026 Remote Similarity NPC167763
0.6019 Remote Similarity NPC313867
0.6019 Remote Similarity NPC316008
0.6017 Remote Similarity NPC472540
0.6017 Remote Similarity NPC470787
0.6017 Remote Similarity NPC472539
0.6009 Remote Similarity NPC473000
0.6009 Remote Similarity NPC297145
0.6009 Remote Similarity NPC197743
0.6008 Remote Similarity NPC51047
0.6007 Remote Similarity NPC472842
0.6 Remote Similarity NPC49583
0.6 Remote Similarity NPC314083
0.6 Remote Similarity NPC155143
0.5993 Remote Similarity NPC314882
0.5992 Remote Similarity NPC323752
0.5992 Remote Similarity NPC302548
0.5984 Remote Similarity NPC214428
0.5983 Remote Similarity NPC470728
0.5983 Remote Similarity NPC25401
0.5977 Remote Similarity NPC475859
0.5977 Remote Similarity NPC475969
0.5977 Remote Similarity NPC474877
0.5975 Remote Similarity NPC34717
0.5974 Remote Similarity NPC13367
0.5972 Remote Similarity NPC315283
0.5972 Remote Similarity NPC314388
0.5966 Remote Similarity NPC102959
0.5959 Remote Similarity NPC475506
0.5958 Remote Similarity NPC477631
0.5957 Remote Similarity NPC328494
0.5948 Remote Similarity NPC50016
0.5947 Remote Similarity NPC5719
0.5947 Remote Similarity NPC217804
0.5947 Remote Similarity NPC22883
0.5947 Remote Similarity NPC210377
0.5945 Remote Similarity NPC5620
0.5941 Remote Similarity NPC60516
0.5941 Remote Similarity NPC477635
0.5941 Remote Similarity NPC477630
0.5939 Remote Similarity NPC470730
0.5939 Remote Similarity NPC477176
0.5939 Remote Similarity NPC477175
0.5939 Remote Similarity NPC470729
0.5938 Remote Similarity NPC274268
0.5936 Remote Similarity NPC321939
0.5936 Remote Similarity NPC320968
0.5932 Remote Similarity NPC63279
0.5931 Remote Similarity NPC137627
0.5926 Remote Similarity NPC475559
0.5924 Remote Similarity NPC181928
0.5918 Remote Similarity NPC475489
0.5916 Remote Similarity NPC14288
0.5916 Remote Similarity NPC477177
0.5913 Remote Similarity NPC40234
0.5913 Remote Similarity NPC75634
0.5909 Remote Similarity NPC297642
0.5907 Remote Similarity NPC163392
0.5907 Remote Similarity NPC239762
0.5905 Remote Similarity NPC476227
0.5905 Remote Similarity NPC470548
0.5905 Remote Similarity NPC471165
0.5903 Remote Similarity NPC176983
0.5902 Remote Similarity NPC470784
0.59 Remote Similarity NPC33949
0.5899 Remote Similarity NPC1203
0.5899 Remote Similarity NPC476978
0.5897 Remote Similarity NPC475421
0.5897 Remote Similarity NPC194671
0.5897 Remote Similarity NPC269750
0.5895 Remote Similarity NPC294516
0.5895 Remote Similarity NPC107938
0.5895 Remote Similarity NPC63040
0.5894 Remote Similarity NPC165743
0.5893 Remote Similarity NPC315467

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC275134 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
0.6754 Remote Similarity NPD6058 Phase 2
0.6593 Remote Similarity NPD7252 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7576 Discontinued
0.6336 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4731 Phase 3
0.6295 Remote Similarity NPD7805 Phase 3
0.6228 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6217 Remote Similarity NPD6878 Phase 2
0.6217 Remote Similarity NPD6879 Phase 2
0.6171 Remote Similarity NPD8463 Approved
0.6161 Remote Similarity NPD3790 Phase 2
0.6157 Remote Similarity NPD5308 Clinical (unspecified phase)
0.6134 Remote Similarity NPD7429 Clinical (unspecified phase)
0.6133 Remote Similarity NPD4976 Discontinued
0.6118 Remote Similarity NPD8240 Discontinued
0.6111 Remote Similarity NPD6557 Phase 2
0.6111 Remote Similarity NPD5309 Clinical (unspecified phase)
0.6092 Remote Similarity NPD5214 Phase 2
0.6009 Remote Similarity NPD3227 Phase 2
0.6008 Remote Similarity NPD8027 Approved
0.6 Remote Similarity NPD6035 Phase 2
0.5968 Remote Similarity NPD7218 Clinical (unspecified phase)
0.5966 Remote Similarity NPD7574 Phase 2
0.5956 Remote Similarity NPD4485 Approved
0.5936 Remote Similarity NPD4588 Clinical (unspecified phase)
0.5934 Remote Similarity NPD7963 Phase 3
0.5925 Remote Similarity NPD6982 Phase 2
0.5918 Remote Similarity NPD6519 Phase 2
0.5917 Remote Similarity NPD2327 Clinical (unspecified phase)
0.5916 Remote Similarity NPD8372 Clinical (unspecified phase)
0.5906 Remote Similarity NPD6596 Phase 2
0.5892 Remote Similarity NPD6665 Discontinued
0.5885 Remote Similarity NPD7599 Phase 2
0.5873 Remote Similarity NPD7470 Discontinued
0.5859 Remote Similarity NPD7600 Phase 2
0.5855 Remote Similarity NPD5498 Phase 2
0.5852 Remote Similarity NPD8303 Discontinued
0.5852 Remote Similarity NPD1702 Phase 3
0.5851 Remote Similarity NPD5042 Phase 1
0.5851 Remote Similarity NPD3884 Discontinued
0.5849 Remote Similarity NPD8329 Phase 3
0.5847 Remote Similarity NPD7149 Clinical (unspecified phase)
0.5847 Remote Similarity NPD6445 Discontinued
0.5844 Remote Similarity NPD4771 Phase 2
0.5837 Remote Similarity NPD5856 Discontinued
0.5836 Remote Similarity NPD5449 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4900 Clinical (unspecified phase)
0.582 Remote Similarity NPD5411 Discontinued
0.5804 Remote Similarity NPD3757 Clinical (unspecified phase)
0.5802 Remote Similarity NPD7412 Clinical (unspecified phase)
0.5802 Remote Similarity NPD4086 Phase 1
0.58 Remote Similarity NPD4901 Clinical (unspecified phase)
0.58 Remote Similarity NPD6905 Phase 2
0.5785 Remote Similarity NPD5077 Approved
0.5785 Remote Similarity NPD6078 Clinical (unspecified phase)
0.5785 Remote Similarity NPD5076 Approved
0.5783 Remote Similarity NPD3363 Clinical (unspecified phase)
0.5777 Remote Similarity NPD5054 Clinical (unspecified phase)
0.5776 Remote Similarity NPD2350 Clinical (unspecified phase)
0.5772 Remote Similarity NPD5807 Phase 2
0.5766 Remote Similarity NPD7973 Discontinued
0.5766 Remote Similarity NPD6238 Discontinued
0.5765 Remote Similarity NPD3243 Approved
0.5761 Remote Similarity NPD7570 Approved
0.5761 Remote Similarity NPD7569 Approved
0.5759 Remote Similarity NPD8271 Discontinued
0.5758 Remote Similarity NPD7824 Approved
0.5755 Remote Similarity NPD7772 Phase 3
0.5749 Remote Similarity NPD7621 Clinical (unspecified phase)
0.5749 Remote Similarity NPD6249 Phase 2
0.5749 Remote Similarity NPD6248 Phase 2
0.5747 Remote Similarity NPD7542 Phase 3
0.5743 Remote Similarity NPD2498 Approved
0.5741 Remote Similarity NPD8173 Phase 2
0.5741 Remote Similarity NPD8172 Phase 2
0.5733 Remote Similarity NPD6670 Clinical (unspecified phase)
0.5733 Remote Similarity NPD5830 Clinical (unspecified phase)
0.5727 Remote Similarity NPD7118 Clinical (unspecified phase)
0.5727 Remote Similarity NPD7105 Phase 1
0.5726 Remote Similarity NPD6484 Approved
0.5726 Remote Similarity NPD6483 Approved
0.5726 Remote Similarity NPD8124 Phase 3
0.5726 Remote Similarity NPD8126 Clinical (unspecified phase)
0.5725 Remote Similarity NPD6154 Approved
0.572 Remote Similarity NPD3304 Phase 2
0.5714 Remote Similarity NPD6689 Clinical (unspecified phase)
0.5708 Remote Similarity NPD2397 Discontinued
0.5703 Remote Similarity NPD7616 Discontinued
0.5702 Remote Similarity NPD8630 Approved
0.5702 Remote Similarity NPD5715 Clinical (unspecified phase)
0.5698 Remote Similarity NPD8374 Phase 3
0.5698 Remote Similarity NPD7589 Clinical (unspecified phase)
0.5697 Remote Similarity NPD5587 Approved
0.5683 Remote Similarity NPD7432 Phase 2
0.5682 Remote Similarity NPD7731 Approved
0.5682 Remote Similarity NPD7730 Approved
0.567 Remote Similarity NPD5942 Approved
0.567 Remote Similarity NPD5941 Approved
0.5668 Remote Similarity NPD4423 Clinical (unspecified phase)
0.5668 Remote Similarity NPD5003 Discontinued
0.5663 Remote Similarity NPD6805 Discontinued
0.5657 Remote Similarity NPD5487 Phase 1
0.5656 Remote Similarity NPD4699 Discontinued
0.5652 Remote Similarity NPD8493 Clinical (unspecified phase)
0.5652 Remote Similarity NPD7080 Clinical (unspecified phase)
0.5651 Remote Similarity NPD6735 Approved
0.5649 Remote Similarity NPD3990 Phase 3
0.564 Remote Similarity NPD7903 Clinical (unspecified phase)
0.5638 Remote Similarity NPD1339 Discontinued
0.5636 Remote Similarity NPD3625 Discontinued
0.5635 Remote Similarity NPD2723 Phase 3
0.5633 Remote Similarity NPD7735 Clinical (unspecified phase)
0.5631 Remote Similarity NPD6676 Phase 2
0.5627 Remote Similarity NPD4070 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5596 Phase 2
0.5615 Remote Similarity NPD2564 Approved
0.5615 Remote Similarity NPD2565 Phase 2
0.5611 Remote Similarity NPD6615 Clinical (unspecified phase)
0.561 Remote Similarity NPD4591 Clinical (unspecified phase)
0.561 Remote Similarity NPD4590 Approved
0.561 Remote Similarity NPD4529 Approved
0.561 Remote Similarity NPD4528 Approved
0.561 Remote Similarity NPD4526 Approved
0.5607 Remote Similarity NPD8255 Phase 2
0.5607 Remote Similarity NPD6833 Clinical (unspecified phase)
0.5607 Remote Similarity NPD3989 Phase 3
0.5606 Remote Similarity NPD7271 Approved
0.5605 Remote Similarity NPD3828 Approved
0.5603 Remote Similarity NPD7594 Clinical (unspecified phase)
0.56 Remote Similarity NPD4682 Phase 2

Structure

External Identifiers

PubChem CID   16099519
ChEMBL   CHEMBL444986
ZINC  

Physicochemical Properties

Molecular Weight:  839.27
ALogP:  -2.6081
MLogP:  3.11
XLogP:  0.905
# Rotatable Bonds:  19
Polar Surface Area:  275.74
# H-Bond Aceptor:  19
# H-Bond Donor:  8
# Rings:  6
# Heavy Atoms:  57

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs