Natural Product: NPC256007

Natural Product ID:  NPC256007
Common Name:   Kutzneride 2
IUPAC Name:  
Synonyms:   Kutzneride 2
Molecular Formula:   C37H48Cl3N7O12
Standard InCHIKey:  GOUIVYIRLLTNCF-JJMZTBTASA-N
Standard InCHI:  InChI=1S/C37H48Cl3N7O12/c1-35(2,3)27-32(55)47-19(10-15(38)13-41-47)29(52)42-18(14-58-5)28(51)43-25(21(48)11-22(49)50)31(54)46-20(30(53)45-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(39)23(40)24(16)44-34(37)46/h6-7,15,18-21,25-27,34,41,44,48,57H,8-14H2,1-5H3,(H,42,52)(H,43,51)(H,45,53)(H,49,50)/t15-,18+,19+,20+,21+,25-,26+,27-,34+,37-/m1/s1
Canonical SMILES:  COC[C@@H]1N=C(O)[C@@H]2C[C@@H](Cl)CNN2C(=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
NPT3660 Organism Fusarium avenaceum Fusarium avenaceum Inhibition = 60 % 11575970
NPT6216 Organism Cylindrocladium canadense Calonectria canadensis Inhibition = 60 % 11575970
NPT637 Organism Fusarium oxysporum Fusarium oxysporum Inhibition = 30 % 15974612
NPT4152 Organism Neonectria radicicola Neonectria radicicola Inhibition = 60 % 22771007
NPT1278 Organism Fusarium culmorum Fusarium culmorum MIC = 70000 nM 8991955
NPT2647 Organism Drechslera Drechslera MIC = 110000 nM 8991955
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum MIC = 6000 nM 9917288
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 6000 nM 11429996

  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 NPC256007 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 NPC473702
0.9907 High Similarity NPC24661
0.9907 High Similarity NPC44357
0.986 High Similarity NPC275134
0.986 High Similarity NPC265592
0.9364 High Similarity NPC112839
0.9364 High Similarity NPC137437
0.9321 High Similarity NPC243782
0.7832 Intermediate Similarity NPC471663
0.6697 Remote Similarity NPC285622
0.6409 Remote Similarity NPC68650
0.6379 Remote Similarity NPC475259
0.6379 Remote Similarity NPC470491
0.6371 Remote Similarity NPC471197
0.636 Remote Similarity NPC469443
0.6345 Remote Similarity NPC471198
0.6342 Remote Similarity NPC323198
0.6323 Remote Similarity NPC471124
0.6316 Remote Similarity NPC14812
0.6311 Remote Similarity NPC471950
0.6311 Remote Similarity NPC471945
0.6307 Remote Similarity NPC471436
0.6296 Remote Similarity NPC470490
0.6296 Remote Similarity NPC225400
0.6293 Remote Similarity NPC307396
0.6293 Remote Similarity NPC259626
0.6286 Remote Similarity NPC471946
0.6286 Remote Similarity NPC471951
0.627 Remote Similarity NPC471155
0.627 Remote Similarity NPC472538
0.627 Remote Similarity NPC470786
0.627 Remote Similarity NPC470488
0.626 Remote Similarity NPC191817
0.626 Remote Similarity NPC475359
0.6255 Remote Similarity NPC477180
0.6255 Remote Similarity NPC254850
0.6255 Remote Similarity NPC477178
0.6255 Remote Similarity NPC477181
0.625 Remote Similarity NPC2933
0.6245 Remote Similarity NPC270241
0.623 Remote Similarity NPC477174
0.623 Remote Similarity NPC477173
0.622 Remote Similarity NPC64216
0.6214 Remote Similarity NPC477179
0.6207 Remote Similarity NPC256288
0.6204 Remote Similarity NPC220060
0.6201 Remote Similarity NPC129624
0.6192 Remote Similarity NPC473371
0.6189 Remote Similarity NPC470489
0.6179 Remote Similarity NPC469444
0.6179 Remote Similarity NPC285192
0.617 Remote Similarity NPC229484
0.6167 Remote Similarity NPC90967
0.6151 Remote Similarity NPC248601
0.6144 Remote Similarity NPC292675
0.6143 Remote Similarity NPC471122
0.6138 Remote Similarity NPC194699
0.6138 Remote Similarity NPC219350
0.6137 Remote Similarity NPC477159
0.6128 Remote Similarity NPC473615
0.6126 Remote Similarity NPC219397
0.6111 Remote Similarity NPC15384
0.6111 Remote Similarity NPC244425
0.6109 Remote Similarity NPC328763
0.6104 Remote Similarity NPC469445
0.6096 Remote Similarity NPC475123
0.6096 Remote Similarity NPC475204
0.6094 Remote Similarity NPC473404
0.6092 Remote Similarity NPC276430
0.6091 Remote Similarity NPC473341
0.6078 Remote Similarity NPC474896
0.6074 Remote Similarity NPC323662
0.6071 Remote Similarity NPC114806
0.6063 Remote Similarity NPC475609
0.6059 Remote Similarity NPC282092
0.6055 Remote Similarity NPC31097
0.6054 Remote Similarity NPC89987
0.6044 Remote Similarity NPC73655
0.604 Remote Similarity NPC469442
0.604 Remote Similarity NPC277306
0.6039 Remote Similarity NPC272174
0.6032 Remote Similarity NPC478157
0.6032 Remote Similarity NPC277350
0.6031 Remote Similarity NPC220852
0.6027 Remote Similarity NPC24617
0.6026 Remote Similarity NPC46009
0.6025 Remote Similarity NPC477551
0.6024 Remote Similarity NPC281049
0.6024 Remote Similarity NPC478158
0.6024 Remote Similarity NPC77777
0.6023 Remote Similarity NPC28945
0.6017 Remote Similarity NPC299806
0.6016 Remote Similarity NPC295548
0.6 Remote Similarity NPC475168
0.6 Remote Similarity NPC7817
0.5992 Remote Similarity NPC470787
0.5992 Remote Similarity NPC472540
0.5992 Remote Similarity NPC472539
0.5992 Remote Similarity NPC25539
0.5992 Remote Similarity NPC54744
0.5991 Remote Similarity NPC470902
0.5986 Remote Similarity NPC472842
0.5983 Remote Similarity NPC240130
0.5983 Remote Similarity NPC473298
0.5983 Remote Similarity NPC61332
0.5975 Remote Similarity NPC245741
0.5973 Remote Similarity NPC309531
0.5973 Remote Similarity NPC472102
0.5973 Remote Similarity NPC162104
0.5971 Remote Similarity NPC314882
0.5967 Remote Similarity NPC472542
0.5967 Remote Similarity NPC472541
0.5964 Remote Similarity NPC476514
0.5963 Remote Similarity NPC314358
0.5962 Remote Similarity NPC285343
0.5956 Remote Similarity NPC62104
0.5956 Remote Similarity NPC476515
0.5956 Remote Similarity NPC1390
0.5954 Remote Similarity NPC475859
0.5954 Remote Similarity NPC474877
0.5954 Remote Similarity NPC475969
0.595 Remote Similarity NPC477632
0.595 Remote Similarity NPC477638
0.5948 Remote Similarity NPC477462
0.5947 Remote Similarity NPC286871
0.5947 Remote Similarity NPC85651
0.5945 Remote Similarity NPC315283
0.5945 Remote Similarity NPC314388
0.5943 Remote Similarity NPC477550
0.5943 Remote Similarity NPC477552
0.5941 Remote Similarity NPC284706
0.5939 Remote Similarity NPC472114
0.5939 Remote Similarity NPC472115
0.5932 Remote Similarity NPC167763
0.5932 Remote Similarity NPC470112
0.5932 Remote Similarity NPC470903
0.5918 Remote Similarity NPC49583
0.5917 Remote Similarity NPC316008
0.5917 Remote Similarity NPC51047
0.5917 Remote Similarity NPC313867
0.5916 Remote Similarity NPC477176
0.5916 Remote Similarity NPC477175
0.5916 Remote Similarity NPC470729
0.5916 Remote Similarity NPC470730
0.5913 Remote Similarity NPC473000
0.5911 Remote Similarity NPC197743
0.5911 Remote Similarity NPC297145
0.5911 Remote Similarity NPC155143
0.5909 Remote Similarity NPC323752
0.5909 Remote Similarity NPC63279
0.5909 Remote Similarity NPC314083
0.5906 Remote Similarity NPC189661
0.5902 Remote Similarity NPC302548
0.5894 Remote Similarity NPC214428
0.5894 Remote Similarity NPC477177
0.5892 Remote Similarity NPC25401
0.5892 Remote Similarity NPC470728
0.5887 Remote Similarity NPC297642
0.5885 Remote Similarity NPC34717
0.588 Remote Similarity NPC470784
0.588 Remote Similarity NPC13367
0.588 Remote Similarity NPC470548
0.5878 Remote Similarity NPC1203
0.5875 Remote Similarity NPC102959
0.5871 Remote Similarity NPC165743
0.587 Remote Similarity NPC475506
0.5868 Remote Similarity NPC477631
0.5865 Remote Similarity NPC291173
0.5865 Remote Similarity NPC159963
0.5862 Remote Similarity NPC328494
0.5861 Remote Similarity NPC477630
0.5861 Remote Similarity NPC477635
0.586 Remote Similarity NPC321939
0.5855 Remote Similarity NPC50016
0.5853 Remote Similarity NPC274268
0.5852 Remote Similarity NPC217804
0.5852 Remote Similarity NPC210377
0.5852 Remote Similarity NPC22883
0.5852 Remote Similarity NPC5719
0.5851 Remote Similarity NPC60516
0.585 Remote Similarity NPC320968
0.5845 Remote Similarity NPC5620
0.5841 Remote Similarity NPC324850
0.5837 Remote Similarity NPC475559
0.5837 Remote Similarity NPC137627
0.5833 Remote Similarity NPC14994
0.5833 Remote Similarity NPC181928
0.5833 Remote Similarity NPC14288
0.583 Remote Similarity NPC475489
0.5827 Remote Similarity NPC75634
0.5827 Remote Similarity NPC478006
0.5824 Remote Similarity NPC122886
0.5824 Remote Similarity NPC477394
0.5821 Remote Similarity NPC470785
0.582 Remote Similarity NPC221687
0.5819 Remote Similarity NPC40234
0.5817 Remote Similarity NPC33949
0.5816 Remote Similarity NPC315467
0.5812 Remote Similarity NPC471165
0.5812 Remote Similarity NPC476227

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC256007 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
0.6725 Remote Similarity NPD6058 Phase 2
0.6491 Remote Similarity NPD7252 Clinical (unspecified phase)
0.6309 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6267 Remote Similarity NPD4731 Phase 3
0.626 Remote Similarity NPD7576 Discontinued
0.6206 Remote Similarity NPD7805 Phase 3
0.619 Remote Similarity NPD6879 Phase 2
0.619 Remote Similarity NPD6878 Phase 2
0.6148 Remote Similarity NPD8463 Approved
0.6133 Remote Similarity NPD3790 Phase 2
0.613 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5308 Clinical (unspecified phase)
0.6109 Remote Similarity NPD7429 Clinical (unspecified phase)
0.6106 Remote Similarity NPD4976 Discontinued
0.6092 Remote Similarity NPD8240 Discontinued
0.6085 Remote Similarity NPD6557 Phase 2
0.6083 Remote Similarity NPD5309 Clinical (unspecified phase)
0.6067 Remote Similarity NPD5214 Phase 2
0.5984 Remote Similarity NPD8027 Approved
0.5983 Remote Similarity NPD3227 Phase 2
0.5929 Remote Similarity NPD4485 Approved
0.5916 Remote Similarity NPD6035 Phase 2
0.5909 Remote Similarity NPD4588 Clinical (unspecified phase)
0.5902 Remote Similarity NPD6982 Phase 2
0.5894 Remote Similarity NPD6519 Phase 2
0.5892 Remote Similarity NPD2327 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7218 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6596 Phase 2
0.5872 Remote Similarity NPD7574 Phase 2
0.5855 Remote Similarity NPD7963 Phase 3
0.5833 Remote Similarity NPD8372 Clinical (unspecified phase)
0.583 Remote Similarity NPD5498 Phase 2
0.5826 Remote Similarity NPD1702 Phase 3
0.5826 Remote Similarity NPD5042 Phase 1
0.5823 Remote Similarity NPD7149 Clinical (unspecified phase)
0.5815 Remote Similarity NPD5449 Clinical (unspecified phase)
0.5813 Remote Similarity NPD5856 Discontinued
0.581 Remote Similarity NPD4900 Clinical (unspecified phase)
0.5802 Remote Similarity NPD6665 Discontinued
0.5796 Remote Similarity NPD5411 Discontinued
0.5789 Remote Similarity NPD7599 Phase 2
0.5787 Remote Similarity NPD7470 Discontinued
0.5781 Remote Similarity NPD3757 Clinical (unspecified phase)
0.5779 Remote Similarity NPD7412 Clinical (unspecified phase)
0.5777 Remote Similarity NPD4901 Clinical (unspecified phase)
0.5768 Remote Similarity NPD8329 Phase 3
0.5764 Remote Similarity NPD7600 Phase 2
0.5761 Remote Similarity NPD3884 Discontinued
0.576 Remote Similarity NPD6445 Discontinued
0.5759 Remote Similarity NPD6078 Clinical (unspecified phase)
0.5758 Remote Similarity NPD3363 Clinical (unspecified phase)
0.5758 Remote Similarity NPD8303 Discontinued
0.5755 Remote Similarity NPD4771 Phase 2
0.5754 Remote Similarity NPD5054 Clinical (unspecified phase)
0.5751 Remote Similarity NPD2350 Clinical (unspecified phase)
0.5751 Remote Similarity NPD5807 Phase 2
0.5742 Remote Similarity NPD3243 Approved
0.5738 Remote Similarity NPD7570 Approved
0.5738 Remote Similarity NPD7569 Approved
0.5735 Remote Similarity NPD7772 Phase 3
0.5726 Remote Similarity NPD6248 Phase 2
0.5726 Remote Similarity NPD6249 Phase 2
0.572 Remote Similarity NPD4086 Phase 1
0.5714 Remote Similarity NPD6905 Phase 2
0.5708 Remote Similarity NPD5830 Clinical (unspecified phase)
0.5704 Remote Similarity NPD6154 Approved
0.5702 Remote Similarity NPD6484 Approved
0.5702 Remote Similarity NPD7118 Clinical (unspecified phase)
0.5702 Remote Similarity NPD7105 Phase 1
0.5702 Remote Similarity NPD6483 Approved
0.5697 Remote Similarity NPD5076 Approved
0.5697 Remote Similarity NPD3304 Phase 2
0.5697 Remote Similarity NPD5077 Approved
0.5685 Remote Similarity NPD2397 Discontinued
0.568 Remote Similarity NPD7973 Discontinued
0.568 Remote Similarity NPD6238 Discontinued
0.5677 Remote Similarity NPD7824 Approved
0.5677 Remote Similarity NPD7589 Clinical (unspecified phase)
0.5676 Remote Similarity NPD8271 Discontinued
0.5673 Remote Similarity NPD5587 Approved
0.5665 Remote Similarity NPD7542 Phase 3
0.5664 Remote Similarity NPD5982 Phase 2
0.5663 Remote Similarity NPD7621 Clinical (unspecified phase)
0.5662 Remote Similarity NPD7432 Phase 2
0.5657 Remote Similarity NPD2498 Approved
0.5645 Remote Similarity NPD4423 Clinical (unspecified phase)
0.5644 Remote Similarity NPD5941 Approved
0.5644 Remote Similarity NPD5942 Approved
0.5642 Remote Similarity NPD8172 Phase 2
0.5642 Remote Similarity NPD8173 Phase 2
0.5639 Remote Similarity NPD6670 Clinical (unspecified phase)
0.5636 Remote Similarity NPD8124 Phase 3
0.5636 Remote Similarity NPD8126 Clinical (unspecified phase)
0.5635 Remote Similarity NPD5487 Phase 1
0.5633 Remote Similarity NPD4699 Discontinued
0.563 Remote Similarity NPD6735 Approved
0.5628 Remote Similarity NPD7080 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3990 Phase 3
0.562 Remote Similarity NPD7616 Discontinued
0.5619 Remote Similarity NPD6689 Clinical (unspecified phase)
0.5618 Remote Similarity NPD8374 Phase 3
0.5618 Remote Similarity NPD7903 Clinical (unspecified phase)
0.5615 Remote Similarity NPD1339 Discontinued
0.5613 Remote Similarity NPD2723 Phase 3
0.5609 Remote Similarity NPD8630 Approved
0.5609 Remote Similarity NPD5715 Clinical (unspecified phase)
0.5602 Remote Similarity NPD7731 Approved
0.5602 Remote Similarity NPD5596 Phase 2
0.5602 Remote Similarity NPD7730 Approved

Structure

External Identifiers

PubChem CID   11564188
ChEMBL   CHEMBL507808
ZINC  

Physicochemical Properties

Molecular Weight:  887.24
ALogP:  -0.6429
MLogP:  3.11
XLogP:  1.581
# Rotatable Bonds:  21
Polar Surface Area:  275.74
# H-Bond Aceptor:  19
# H-Bond Donor:  8
# Rings:  6
# Heavy Atoms:  59

Download Data

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Biological Activities  
Similar NPs/Drugs