Natural Product: NPC137437

Natural Product ID:  NPC137437
Common Name:   Kutzneride 4
IUPAC Name:  
Synonyms:   Kutzneride 4
Molecular Formula:   C37H47Cl2N7O12
Standard InCHIKey:  IURQCOHKGOZHQD-QLXFUGDFSA-N
Standard InCHI:  InChI=1S/C37H47Cl2N7O12/c1-35(2,3)27-32(54)46-19(7-6-12-40-46)29(51)41-18(15-57-5)28(50)42-25(21(47)13-22(48)49)31(53)45-20(30(52)44-26(33(55)58-27)36(4)10-11-36)14-37(56)16-8-9-17(38)23(39)24(16)43-34(37)45/h8-9,12,18-21,25-27,34,43,47,56H,6-7,10-11,13-15H2,1-5H3,(H,41,51)(H,42,50)(H,44,52)(H,48,49)/t18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1
Canonical SMILES:  COC[C@@H]1N=C(O)[C@@H]2CCC=NN2C(=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)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 mycorrhizal roots of Picea abies seedlings PMID[16441076]
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
NPT6216 Organism Cylindrocladium canadense Calonectria canadensis Inhibition = 60 % 16203143
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 140000 nM PubChem BioAssay data set
NPT3660 Organism Fusarium avenaceum Fusarium avenaceum Inhibition = 30 % 10.6019/CHEMBL1201861
NPT4152 Organism Neonectria radicicola Neonectria radicicola Inhibition = 30 % 10.1007/s00044-013-0803-1
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum MIC = 120000 nM 19673515
NPT1278 Organism Fusarium culmorum Fusarium culmorum MIC > 590000 nM 18077425
NPT2647 Organism Drechslera Drechslera MIC > 590000 nM 18077425

  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 NPC137437 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 NPC112839
0.9953 High Similarity NPC243782
0.945 High Similarity NPC44357
0.945 High Similarity NPC24661
0.9406 High Similarity NPC265592
0.9406 High Similarity NPC275134
0.9364 High Similarity NPC473702
0.9364 High Similarity NPC256007
0.7435 Intermediate Similarity NPC471663
0.6544 Remote Similarity NPC68650
0.6532 Remote Similarity NPC285622
0.649 Remote Similarity NPC471197
0.6463 Remote Similarity NPC471198
0.6419 Remote Similarity NPC307396
0.6417 Remote Similarity NPC225400
0.639 Remote Similarity NPC471155
0.639 Remote Similarity NPC470786
0.639 Remote Similarity NPC472538
0.6364 Remote Similarity NPC285192
0.6364 Remote Similarity NPC270241
0.6328 Remote Similarity NPC323198
0.629 Remote Similarity NPC15384
0.629 Remote Similarity NPC244425
0.6289 Remote Similarity NPC89987
0.6265 Remote Similarity NPC248601
0.6233 Remote Similarity NPC471124
0.623 Remote Similarity NPC475259
0.623 Remote Similarity NPC470491
0.6213 Remote Similarity NPC276430
0.6208 Remote Similarity NPC469443
0.6206 Remote Similarity NPC64216
0.6202 Remote Similarity NPC220852
0.6198 Remote Similarity NPC295548
0.6194 Remote Similarity NPC314882
0.6184 Remote Similarity NPC129624
0.618 Remote Similarity NPC14812
0.6163 Remote Similarity NPC471950
0.6163 Remote Similarity NPC471945
0.6157 Remote Similarity NPC471436
0.6148 Remote Similarity NPC470490
0.6145 Remote Similarity NPC478157
0.6138 Remote Similarity NPC471946
0.6138 Remote Similarity NPC471951
0.6138 Remote Similarity NPC478158
0.6137 Remote Similarity NPC259626
0.613 Remote Similarity NPC285343
0.613 Remote Similarity NPC28945
0.6122 Remote Similarity NPC470488
0.6113 Remote Similarity NPC475359
0.6113 Remote Similarity NPC191817
0.6111 Remote Similarity NPC219397
0.6109 Remote Similarity NPC473371
0.6109 Remote Similarity NPC470787
0.6109 Remote Similarity NPC472540
0.6109 Remote Similarity NPC472539
0.6107 Remote Similarity NPC477180
0.6107 Remote Similarity NPC477181
0.6107 Remote Similarity NPC254850
0.6107 Remote Similarity NPC477178
0.6104 Remote Similarity NPC54744
0.6094 Remote Similarity NPC2933
0.6083 Remote Similarity NPC472542
0.6083 Remote Similarity NPC472541
0.6082 Remote Similarity NPC477174
0.6082 Remote Similarity NPC477173
0.6066 Remote Similarity NPC477179
0.6057 Remote Similarity NPC220060
0.6054 Remote Similarity NPC114806
0.6054 Remote Similarity NPC471122
0.6052 Remote Similarity NPC256288
0.6044 Remote Similarity NPC478006
0.6043 Remote Similarity NPC282092
0.6041 Remote Similarity NPC470489
0.6032 Remote Similarity NPC469444
0.6027 Remote Similarity NPC162104
0.6025 Remote Similarity NPC155143
0.6024 Remote Similarity NPC274268
0.6019 Remote Similarity NPC314358
0.6017 Remote Similarity NPC90967
0.6017 Remote Similarity NPC229484
0.6015 Remote Similarity NPC323752
0.6009 Remote Similarity NPC24617
0.6009 Remote Similarity NPC475123
0.6009 Remote Similarity NPC475204
0.6008 Remote Similarity NPC281049
0.6 Remote Similarity NPC477462
0.6 Remote Similarity NPC299806
0.6 Remote Similarity NPC315283
0.6 Remote Similarity NPC314388
0.5992 Remote Similarity NPC219350
0.5992 Remote Similarity NPC194699
0.5992 Remote Similarity NPC292675
0.5984 Remote Similarity NPC475609
0.5984 Remote Similarity NPC475506
0.5983 Remote Similarity NPC167763
0.5983 Remote Similarity NPC470112
0.5983 Remote Similarity NPC470903
0.5983 Remote Similarity NPC477159
0.5982 Remote Similarity NPC7817
0.5982 Remote Similarity NPC475168
0.5975 Remote Similarity NPC473615
0.5973 Remote Similarity NPC470902
0.5972 Remote Similarity NPC316008
0.5972 Remote Similarity NPC313867
0.5966 Remote Similarity NPC39822
0.5964 Remote Similarity NPC197743
0.5964 Remote Similarity NPC297145
0.5963 Remote Similarity NPC477635
0.5963 Remote Similarity NPC477630
0.5962 Remote Similarity NPC49583
0.596 Remote Similarity NPC469445
0.596 Remote Similarity NPC320968
0.5957 Remote Similarity NPC321939
0.5957 Remote Similarity NPC245741
0.5952 Remote Similarity NPC66191
0.5952 Remote Similarity NPC316297
0.5952 Remote Similarity NPC314817
0.594 Remote Similarity NPC473404
0.5939 Remote Similarity NPC475969
0.5939 Remote Similarity NPC475859
0.5939 Remote Similarity NPC474877
0.5939 Remote Similarity NPC300114
0.5938 Remote Similarity NPC474896
0.5936 Remote Similarity NPC75634
0.5935 Remote Similarity NPC314056
0.5934 Remote Similarity NPC477638
0.5934 Remote Similarity NPC477632
0.5928 Remote Similarity NPC473341
0.5917 Remote Similarity NPC472842
0.5914 Remote Similarity NPC31097
0.5914 Remote Similarity NPC315467
0.5913 Remote Similarity NPC328494
0.5909 Remote Similarity NPC473375
0.5909 Remote Similarity NPC97100
0.5907 Remote Similarity NPC319232
0.5907 Remote Similarity NPC24370
0.5902 Remote Similarity NPC106118
0.59 Remote Similarity NPC470729
0.59 Remote Similarity NPC470730
0.59 Remote Similarity NPC477176
0.59 Remote Similarity NPC477175
0.59 Remote Similarity NPC51047
0.5899 Remote Similarity NPC5620
0.5898 Remote Similarity NPC272174
0.5896 Remote Similarity NPC277306
0.5896 Remote Similarity NPC469442
0.5895 Remote Similarity NPC473000
0.5894 Remote Similarity NPC63279
0.5893 Remote Similarity NPC478009
0.5893 Remote Similarity NPC478010
0.5891 Remote Similarity NPC476514
0.5887 Remote Similarity NPC104712
0.5887 Remote Similarity NPC277350
0.5887 Remote Similarity NPC177056
0.5885 Remote Similarity NPC302548
0.5882 Remote Similarity NPC476515
0.5882 Remote Similarity NPC473815
0.5882 Remote Similarity NPC77777
0.588 Remote Similarity NPC107077
0.588 Remote Similarity NPC223791
0.5878 Remote Similarity NPC477177
0.5878 Remote Similarity NPC477551
0.5875 Remote Similarity NPC470728
0.5872 Remote Similarity NPC478013
0.5871 Remote Similarity NPC297642
0.587 Remote Similarity NPC46009
0.5863 Remote Similarity NPC1203
0.5862 Remote Similarity NPC13367
0.5862 Remote Similarity NPC471165
0.5861 Remote Similarity NPC473640
0.5859 Remote Similarity NPC286871
0.5858 Remote Similarity NPC284706
0.5856 Remote Similarity NPC165743
0.5855 Remote Similarity NPC475421
0.5853 Remote Similarity NPC476978
0.5852 Remote Similarity NPC472114
0.5852 Remote Similarity NPC472115
0.5851 Remote Similarity NPC477631
0.585 Remote Similarity NPC25539
0.5845 Remote Similarity NPC145113
0.5833 Remote Similarity NPC240130
0.5833 Remote Similarity NPC473298
0.5833 Remote Similarity NPC61332
0.5826 Remote Similarity NPC328763
0.5824 Remote Similarity NPC244536
0.5823 Remote Similarity NPC97584
0.5822 Remote Similarity NPC324850
0.582 Remote Similarity NPC475559
0.5817 Remote Similarity NPC162860
0.5817 Remote Similarity NPC14288
0.5815 Remote Similarity NPC309531
0.5815 Remote Similarity NPC472102
0.5813 Remote Similarity NPC475489
0.581 Remote Similarity NPC127996
0.5808 Remote Similarity NPC125597
0.5805 Remote Similarity NPC478029
0.5798 Remote Similarity NPC222046
0.5798 Remote Similarity NPC52262
0.5798 Remote Similarity NPC316141
0.5796 Remote Similarity NPC477552

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC137437 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
0.6711 Remote Similarity NPD6058 Phase 2
0.6537 Remote Similarity NPD5214 Phase 2
0.6434 Remote Similarity NPD7576 Discontinued
0.6364 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6332 Remote Similarity NPD7252 Clinical (unspecified phase)
0.6326 Remote Similarity NPD4731 Phase 3
0.6213 Remote Similarity NPD8240 Discontinued
0.6207 Remote Similarity NPD6557 Phase 2
0.6186 Remote Similarity NPD5308 Clinical (unspecified phase)
0.614 Remote Similarity NPD5309 Clinical (unspecified phase)
0.6126 Remote Similarity NPD7805 Phase 3
0.6114 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6098 Remote Similarity NPD5449 Clinical (unspecified phase)
0.6092 Remote Similarity NPD7429 Clinical (unspecified phase)
0.6074 Remote Similarity NPD8463 Approved
0.6057 Remote Similarity NPD5054 Clinical (unspecified phase)
0.6046 Remote Similarity NPD6154 Approved
0.6034 Remote Similarity NPD6878 Phase 2
0.6034 Remote Similarity NPD6879 Phase 2
0.6034 Remote Similarity NPD3227 Phase 2
0.5973 Remote Similarity NPD3790 Phase 2
0.597 Remote Similarity NPD6735 Approved
0.5947 Remote Similarity NPD4976 Discontinued
0.5947 Remote Similarity NPD6982 Phase 2
0.5941 Remote Similarity NPD2327 Clinical (unspecified phase)
0.5929 Remote Similarity NPD7218 Clinical (unspecified phase)
0.5926 Remote Similarity NPD5856 Discontinued
0.5904 Remote Similarity NPD8027 Approved
0.5897 Remote Similarity NPD7963 Phase 3
0.5896 Remote Similarity NPD7470 Discontinued
0.5878 Remote Similarity NPD6519 Phase 2
0.5857 Remote Similarity NPD4900 Clinical (unspecified phase)
0.5841 Remote Similarity NPD7599 Phase 2
0.5841 Remote Similarity NPD4485 Approved
0.584 Remote Similarity NPD6035 Phase 2
0.5826 Remote Similarity NPD5830 Clinical (unspecified phase)
0.5824 Remote Similarity NPD4086 Phase 1
0.5823 Remote Similarity NPD4901 Clinical (unspecified phase)
0.5818 Remote Similarity NPD4588 Clinical (unspecified phase)
0.5815 Remote Similarity NPD7600 Phase 2
0.5812 Remote Similarity NPD5498 Phase 2
0.5811 Remote Similarity NPD8329 Phase 3
0.5809 Remote Similarity NPD3304 Phase 2
0.5809 Remote Similarity NPD5042 Phase 1
0.5808 Remote Similarity NPD1702 Phase 3
0.5808 Remote Similarity NPD3363 Clinical (unspecified phase)
0.5806 Remote Similarity NPD6445 Discontinued
0.5798 Remote Similarity NPD2397 Discontinued
0.5787 Remote Similarity NPD7574 Phase 2
0.5787 Remote Similarity NPD3780 Phase 2
0.5785 Remote Similarity NPD6665 Discontinued
0.5783 Remote Similarity NPD2723 Phase 3
0.5779 Remote Similarity NPD5411 Discontinued
0.5772 Remote Similarity NPD7621 Clinical (unspecified phase)
0.5765 Remote Similarity NPD3757 Clinical (unspecified phase)
0.5752 Remote Similarity NPD7118 Clinical (unspecified phase)
0.5744 Remote Similarity NPD3884 Discontinued
0.5743 Remote Similarity NPD5487 Phase 1
0.574 Remote Similarity NPD6078 Clinical (unspecified phase)
0.5739 Remote Similarity NPD8303 Discontinued
0.5738 Remote Similarity NPD7149 Clinical (unspecified phase)
0.5738 Remote Similarity NPD3990 Phase 3
0.5735 Remote Similarity NPD5807 Phase 2
0.572 Remote Similarity NPD5587 Approved
0.572 Remote Similarity NPD7589 Clinical (unspecified phase)
0.5719 Remote Similarity NPD7772 Phase 3
0.5709 Remote Similarity NPD6249 Phase 2
0.5709 Remote Similarity NPD6248 Phase 2
0.5709 Remote Similarity NPD4070 Clinical (unspecified phase)
0.5704 Remote Similarity NPD7432 Phase 2
0.5703 Remote Similarity NPD7161 Clinical (unspecified phase)
0.5703 Remote Similarity NPD7412 Clinical (unspecified phase)
0.5696 Remote Similarity NPD3989 Phase 3
0.5694 Remote Similarity NPD8173 Phase 2
0.5694 Remote Similarity NPD8172 Phase 2
0.5691 Remote Similarity NPD4423 Clinical (unspecified phase)
0.5685 Remote Similarity NPD6484 Approved
0.5685 Remote Similarity NPD6483 Approved
0.5684 Remote Similarity NPD8124 Phase 3
0.5684 Remote Similarity NPD8126 Clinical (unspecified phase)
0.5683 Remote Similarity NPD7105 Phase 1
0.5681 Remote Similarity NPD6596 Phase 2
0.5679 Remote Similarity NPD5076 Approved
0.5679 Remote Similarity NPD5077 Approved
0.5675 Remote Similarity NPD8493 Clinical (unspecified phase)
0.5673 Remote Similarity NPD4771 Phase 2
0.5672 Remote Similarity NPD4454 Phase 2
0.5669 Remote Similarity NPD7809 Clinical (unspecified phase)
0.5668 Remote Similarity NPD2783 Phase 2
0.5664 Remote Similarity NPD7616 Discontinued
0.5663 Remote Similarity NPD6238 Discontinued
0.566 Remote Similarity NPD7824 Approved
0.566 Remote Similarity NPD8374 Phase 3
0.5659 Remote Similarity NPD8271 Discontinued
0.5659 Remote Similarity NPD8406 Clinical (unspecified phase)
0.5656 Remote Similarity NPD1968 Approved
0.5656 Remote Similarity NPD1967 Approved
0.5649 Remote Similarity NPD7542 Phase 3
0.5642 Remote Similarity NPD7970 Approved
0.5642 Remote Similarity NPD7971 Clinical (unspecified phase)
0.5639 Remote Similarity NPD8372 Clinical (unspecified phase)
0.5633 Remote Similarity NPD4526 Approved
0.5633 Remote Similarity NPD4528 Approved
0.5633 Remote Similarity NPD4529 Approved
0.5625 Remote Similarity NPD3918 Approved
0.5625 Remote Similarity NPD3916 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3917 Approved
0.5625 Remote Similarity NPD5941 Approved
0.5625 Remote Similarity NPD5942 Approved
0.5622 Remote Similarity NPD6805 Discontinued
0.5619 Remote Similarity NPD6670 Clinical (unspecified phase)
0.5619 Remote Similarity NPD3306 Approved
0.5615 Remote Similarity NPD4699 Discontinued
0.5614 Remote Similarity NPD1663 Discontinued
0.5612 Remote Similarity NPD4092 Approved
0.5609 Remote Similarity NPD7080 Clinical (unspecified phase)
0.5603 Remote Similarity NPD3243 Approved
0.5602 Remote Similarity NPD3414 Approved
0.5602 Remote Similarity NPD3413 Approved
0.56 Remote Similarity NPD3416 Discontinued
0.56 Remote Similarity NPD7613 Discontinued
0.56 Remote Similarity NPD7903 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11679495
ChEMBL   CHEMBL500282
ZINC  

Physicochemical Properties

Molecular Weight:  851.27
ALogP:  -0.9274
MLogP:  3.22
XLogP:  1.321
# Rotatable Bonds:  20
Polar Surface Area:  276.07
# H-Bond Aceptor:  19
# H-Bond Donor:  7
# Rings:  6
# Heavy Atoms:  58

Download Data

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Biological Activities  
Similar NPs/Drugs