Natural Product: NPC243782

Natural Product ID:  NPC243782
Common Name:   Kutzneride 6
IUPAC Name:  
Synonyms:   Kutzneride 6
Molecular Formula:   C37H47Cl2N7O13
Standard InCHIKey:  ZIRIUMCQSORLJA-HDJMJMBUSA-N
Standard InCHI:  InChI=1S/C37H47Cl2N7O13/c1-35(2,3)27-32(55)46-19(10-15(47)13-40-46)29(52)41-18(14-58-5)28(51)42-25(21(48)11-22(49)50)31(54)45-20(30(53)44-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(38)23(39)24(16)43-34(37)45/h6-7,13,15,18-21,25-27,34,43,47-48,57H,8-12,14H2,1-5H3,(H,41,52)(H,42,51)(H,44,53)(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](O)C=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 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 > 230000 nM 10.6019/CHEMBL1201861
NPT2647 Organism Drechslera Drechslera MIC > 400000 nM 10.6019/CHEMBL1201861
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum MIC > 230000 nM 10.6019/CHEMBL1201861
NPT1278 Organism Fusarium culmorum Fusarium culmorum MIC > 230000 nM 10.6019/CHEMBL1201861

  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 NPC243782 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
0.9953 High Similarity NPC137437
0.9953 High Similarity NPC112839
0.9406 High Similarity NPC44357
0.9406 High Similarity NPC24661
0.9364 High Similarity NPC265592
0.9364 High Similarity NPC275134
0.9321 High Similarity NPC256007
0.9321 High Similarity NPC473702
0.7403 Intermediate Similarity NPC471663
0.6531 Remote Similarity NPC471197
0.6514 Remote Similarity NPC68650
0.6504 Remote Similarity NPC471198
0.6502 Remote Similarity NPC285622
0.6432 Remote Similarity NPC470786
0.6391 Remote Similarity NPC307396
0.639 Remote Similarity NPC225400
0.6364 Remote Similarity NPC472538
0.6364 Remote Similarity NPC471155
0.6337 Remote Similarity NPC285192
0.6337 Remote Similarity NPC270241
0.6331 Remote Similarity NPC15384
0.6331 Remote Similarity NPC244425
0.6305 Remote Similarity NPC248601
0.6304 Remote Similarity NPC323198
0.6265 Remote Similarity NPC89987
0.625 Remote Similarity NPC469443
0.6205 Remote Similarity NPC471124
0.6204 Remote Similarity NPC470491
0.6204 Remote Similarity NPC475259
0.6186 Remote Similarity NPC276430
0.6181 Remote Similarity NPC64216
0.6178 Remote Similarity NPC220852
0.6173 Remote Similarity NPC295548
0.6171 Remote Similarity NPC314882
0.6157 Remote Similarity NPC129624
0.6157 Remote Similarity NPC14812
0.6151 Remote Similarity NPC473371
0.6138 Remote Similarity NPC471945
0.6138 Remote Similarity NPC471950
0.6132 Remote Similarity NPC471436
0.6122 Remote Similarity NPC470490
0.612 Remote Similarity NPC478157
0.6113 Remote Similarity NPC471951
0.6113 Remote Similarity NPC478158
0.6113 Remote Similarity NPC471946
0.6111 Remote Similarity NPC259626
0.6107 Remote Similarity NPC285343
0.6107 Remote Similarity NPC28945
0.6098 Remote Similarity NPC220060
0.6098 Remote Similarity NPC470488
0.6089 Remote Similarity NPC475359
0.6089 Remote Similarity NPC191817
0.6087 Remote Similarity NPC219397
0.6085 Remote Similarity NPC282092
0.6083 Remote Similarity NPC472540
0.6083 Remote Similarity NPC470787
0.6083 Remote Similarity NPC472539
0.6082 Remote Similarity NPC477181
0.6082 Remote Similarity NPC254850
0.6082 Remote Similarity NPC477180
0.6082 Remote Similarity NPC477178
0.608 Remote Similarity NPC54744
0.6073 Remote Similarity NPC469444
0.6068 Remote Similarity NPC2933
0.6058 Remote Similarity NPC472542
0.6058 Remote Similarity NPC472541
0.6057 Remote Similarity NPC477174
0.6057 Remote Similarity NPC477173
0.6043 Remote Similarity NPC477462
0.6041 Remote Similarity NPC477179
0.6032 Remote Similarity NPC219350
0.6032 Remote Similarity NPC194699
0.6027 Remote Similarity NPC114806
0.6027 Remote Similarity NPC471122
0.6026 Remote Similarity NPC256288
0.6022 Remote Similarity NPC478006
0.6016 Remote Similarity NPC470489
0.6009 Remote Similarity NPC297145
0.6009 Remote Similarity NPC197743
0.6 Remote Similarity NPC274268
0.6 Remote Similarity NPC245741
0.6 Remote Similarity NPC155143
0.6 Remote Similarity NPC469445
0.6 Remote Similarity NPC162104
0.5992 Remote Similarity NPC90967
0.5992 Remote Similarity NPC66191
0.5992 Remote Similarity NPC316297
0.5992 Remote Similarity NPC314817
0.5992 Remote Similarity NPC323752
0.5992 Remote Similarity NPC229484
0.5991 Remote Similarity NPC314358
0.5984 Remote Similarity NPC281049
0.5983 Remote Similarity NPC475123
0.5983 Remote Similarity NPC475204
0.5982 Remote Similarity NPC24617
0.5975 Remote Similarity NPC299806
0.5972 Remote Similarity NPC315283
0.5972 Remote Similarity NPC314388
0.5966 Remote Similarity NPC292675
0.5961 Remote Similarity NPC475609
0.5959 Remote Similarity NPC475506
0.5957 Remote Similarity NPC470112
0.5957 Remote Similarity NPC470903
0.5957 Remote Similarity NPC477159
0.5957 Remote Similarity NPC167763
0.5955 Remote Similarity NPC475168
0.5955 Remote Similarity NPC7817
0.5949 Remote Similarity NPC473615
0.5946 Remote Similarity NPC470902
0.5945 Remote Similarity NPC313867
0.5945 Remote Similarity NPC316008
0.5941 Remote Similarity NPC51047
0.5941 Remote Similarity NPC477635
0.5941 Remote Similarity NPC477630
0.594 Remote Similarity NPC39822
0.594 Remote Similarity NPC49583
0.5936 Remote Similarity NPC321939
0.5936 Remote Similarity NPC277306
0.5936 Remote Similarity NPC320968
0.5936 Remote Similarity NPC469442
0.5925 Remote Similarity NPC104712
0.5924 Remote Similarity NPC473815
0.5918 Remote Similarity NPC477551
0.5917 Remote Similarity NPC470728
0.5916 Remote Similarity NPC474877
0.5916 Remote Similarity NPC300114
0.5916 Remote Similarity NPC475859
0.5916 Remote Similarity NPC475969
0.5915 Remote Similarity NPC473404
0.5914 Remote Similarity NPC474896
0.5914 Remote Similarity NPC314056
0.5913 Remote Similarity NPC75634
0.5909 Remote Similarity NPC477638
0.5909 Remote Similarity NPC477632
0.5905 Remote Similarity NPC471165
0.5901 Remote Similarity NPC473341
0.5897 Remote Similarity NPC472842
0.5893 Remote Similarity NPC315467
0.5891 Remote Similarity NPC31097
0.5889 Remote Similarity NPC25539
0.5887 Remote Similarity NPC328494
0.5885 Remote Similarity NPC319232
0.5885 Remote Similarity NPC473375
0.5885 Remote Similarity NPC24370
0.5885 Remote Similarity NPC97100
0.5878 Remote Similarity NPC470730
0.5878 Remote Similarity NPC470729
0.5878 Remote Similarity NPC106118
0.5878 Remote Similarity NPC477175
0.5878 Remote Similarity NPC477176
0.5875 Remote Similarity NPC272174
0.5872 Remote Similarity NPC478009
0.5872 Remote Similarity NPC478010
0.5872 Remote Similarity NPC5620
0.5871 Remote Similarity NPC63279
0.587 Remote Similarity NPC473000
0.587 Remote Similarity NPC476514
0.5865 Remote Similarity NPC177056
0.5863 Remote Similarity NPC277350
0.5862 Remote Similarity NPC244536
0.5861 Remote Similarity NPC476515
0.5861 Remote Similarity NPC302548
0.5859 Remote Similarity NPC77777
0.5857 Remote Similarity NPC107077
0.5857 Remote Similarity NPC223791
0.5856 Remote Similarity NPC477177
0.5851 Remote Similarity NPC478013
0.5849 Remote Similarity NPC297642
0.5844 Remote Similarity NPC46009
0.5842 Remote Similarity NPC1203
0.5841 Remote Similarity NPC62104
0.5841 Remote Similarity NPC1390
0.5837 Remote Similarity NPC473640
0.5837 Remote Similarity NPC323662
0.5837 Remote Similarity NPC13367
0.5837 Remote Similarity NPC477552
0.5837 Remote Similarity NPC477550
0.5833 Remote Similarity NPC284706
0.5833 Remote Similarity NPC286871
0.5833 Remote Similarity NPC165743
0.583 Remote Similarity NPC475421
0.5826 Remote Similarity NPC476978
0.5826 Remote Similarity NPC477631
0.5826 Remote Similarity NPC472115
0.5826 Remote Similarity NPC472114
0.5818 Remote Similarity NPC145113
0.5816 Remote Similarity NPC291759
0.5812 Remote Similarity NPC50016
0.5809 Remote Similarity NPC473298
0.5809 Remote Similarity NPC240130
0.5809 Remote Similarity NPC61332
0.5802 Remote Similarity NPC328763
0.5799 Remote Similarity NPC315266
0.5798 Remote Similarity NPC97584
0.5796 Remote Similarity NPC475559
0.5796 Remote Similarity NPC324850
0.5795 Remote Similarity NPC14288
0.5794 Remote Similarity NPC162860
0.5789 Remote Similarity NPC309531
0.5789 Remote Similarity NPC475489

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC243782 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
0.6681 Remote Similarity NPD6058 Phase 2
0.6509 Remote Similarity NPD5214 Phase 2
0.6409 Remote Similarity NPD7576 Discontinued
0.6336 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7252 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4731 Phase 3
0.6186 Remote Similarity NPD8240 Discontinued
0.618 Remote Similarity NPD6557 Phase 2
0.6157 Remote Similarity NPD5308 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5309 Clinical (unspecified phase)
0.6102 Remote Similarity NPD7805 Phase 3
0.6087 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5449 Clinical (unspecified phase)
0.6067 Remote Similarity NPD7429 Clinical (unspecified phase)
0.6052 Remote Similarity NPD8463 Approved
0.6032 Remote Similarity NPD5054 Clinical (unspecified phase)
0.6023 Remote Similarity NPD6154 Approved
0.6009 Remote Similarity NPD6878 Phase 2
0.6009 Remote Similarity NPD3227 Phase 2
0.6009 Remote Similarity NPD6879 Phase 2
0.5947 Remote Similarity NPD6735 Approved
0.5947 Remote Similarity NPD3790 Phase 2
0.5934 Remote Similarity NPD7963 Phase 3
0.5925 Remote Similarity NPD6982 Phase 2
0.5921 Remote Similarity NPD4976 Discontinued
0.5917 Remote Similarity NPD2327 Clinical (unspecified phase)
0.5906 Remote Similarity NPD7218 Clinical (unspecified phase)
0.5902 Remote Similarity NPD5856 Discontinued
0.588 Remote Similarity NPD8027 Approved
0.5878 Remote Similarity NPD6035 Phase 2
0.5873 Remote Similarity NPD7470 Discontinued
0.5862 Remote Similarity NPD4086 Phase 1
0.5854 Remote Similarity NPD6519 Phase 2
0.5833 Remote Similarity NPD4900 Clinical (unspecified phase)
0.5815 Remote Similarity NPD4485 Approved
0.5815 Remote Similarity NPD7599 Phase 2
0.5804 Remote Similarity NPD3757 Clinical (unspecified phase)
0.5801 Remote Similarity NPD5830 Clinical (unspecified phase)
0.58 Remote Similarity NPD4901 Clinical (unspecified phase)
0.5792 Remote Similarity NPD4588 Clinical (unspecified phase)
0.5789 Remote Similarity NPD8329 Phase 3
0.5789 Remote Similarity NPD7600 Phase 2
0.5787 Remote Similarity NPD5498 Phase 2
0.5785 Remote Similarity NPD3304 Phase 2
0.5785 Remote Similarity NPD5042 Phase 1
0.5783 Remote Similarity NPD6445 Discontinued
0.5783 Remote Similarity NPD1702 Phase 3
0.5783 Remote Similarity NPD3363 Clinical (unspecified phase)
0.5774 Remote Similarity NPD2397 Discontinued
0.5765 Remote Similarity NPD3780 Phase 2
0.5763 Remote Similarity NPD7574 Phase 2
0.5761 Remote Similarity NPD6665 Discontinued
0.576 Remote Similarity NPD2723 Phase 3
0.5755 Remote Similarity NPD5411 Discontinued
0.5749 Remote Similarity NPD7621 Clinical (unspecified phase)
0.5741 Remote Similarity NPD7161 Clinical (unspecified phase)
0.5727 Remote Similarity NPD7118 Clinical (unspecified phase)
0.572 Remote Similarity NPD3884 Discontinued
0.572 Remote Similarity NPD5487 Phase 1
0.5714 Remote Similarity NPD7149 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3990 Phase 3
0.5714 Remote Similarity NPD6078 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5807 Phase 2
0.5714 Remote Similarity NPD8303 Discontinued
0.5709 Remote Similarity NPD4454 Phase 2
0.5699 Remote Similarity NPD7772 Phase 3
0.5698 Remote Similarity NPD7589 Clinical (unspecified phase)
0.5697 Remote Similarity NPD5587 Approved
0.5687 Remote Similarity NPD4070 Clinical (unspecified phase)
0.5685 Remote Similarity NPD6248 Phase 2
0.5685 Remote Similarity NPD6249 Phase 2
0.5683 Remote Similarity NPD7432 Phase 2
0.5682 Remote Similarity NPD7412 Clinical (unspecified phase)
0.5673 Remote Similarity NPD4529 Approved
0.5673 Remote Similarity NPD4526 Approved
0.5673 Remote Similarity NPD4528 Approved
0.5672 Remote Similarity NPD3989 Phase 3
0.5668 Remote Similarity NPD4423 Clinical (unspecified phase)
0.5668 Remote Similarity NPD8173 Phase 2
0.5668 Remote Similarity NPD8172 Phase 2
0.5661 Remote Similarity NPD6483 Approved
0.5661 Remote Similarity NPD6484 Approved
0.566 Remote Similarity NPD8126 Clinical (unspecified phase)
0.566 Remote Similarity NPD8124 Phase 3
0.5659 Remote Similarity NPD6596 Phase 2
0.5658 Remote Similarity NPD7105 Phase 1
0.5658 Remote Similarity NPD1663 Discontinued
0.5656 Remote Similarity NPD5077 Approved
0.5656 Remote Similarity NPD5076 Approved
0.5652 Remote Similarity NPD8493 Clinical (unspecified phase)
0.565 Remote Similarity NPD4771 Phase 2
0.5647 Remote Similarity NPD2783 Phase 2
0.5647 Remote Similarity NPD7809 Clinical (unspecified phase)
0.5642 Remote Similarity NPD7616 Discontinued
0.564 Remote Similarity NPD6238 Discontinued
0.5639 Remote Similarity NPD7824 Approved
0.5639 Remote Similarity NPD8374 Phase 3
0.5637 Remote Similarity NPD8271 Discontinued
0.5637 Remote Similarity NPD8406 Clinical (unspecified phase)
0.5631 Remote Similarity NPD1968 Approved
0.5631 Remote Similarity NPD1967 Approved
0.5627 Remote Similarity NPD7542 Phase 3
0.562 Remote Similarity NPD7971 Clinical (unspecified phase)
0.562 Remote Similarity NPD7970 Approved
0.5618 Remote Similarity NPD8372 Clinical (unspecified phase)
0.5615 Remote Similarity NPD2565 Phase 2
0.5615 Remote Similarity NPD2564 Approved
0.5603 Remote Similarity NPD3918 Approved
0.5603 Remote Similarity NPD3917 Approved
0.5603 Remote Similarity NPD3916 Clinical (unspecified phase)
0.56 Remote Similarity NPD6805 Discontinued
0.56 Remote Similarity NPD5941 Approved
0.56 Remote Similarity NPD5942 Approved

Structure

External Identifiers

PubChem CID   44566398
ChEMBL   CHEMBL504428
ZINC  

Physicochemical Properties

Molecular Weight:  867.26
ALogP:  -1.5796
MLogP:  3.11
XLogP:  0.557
# Rotatable Bonds:  21
Polar Surface Area:  296.3
# H-Bond Aceptor:  20
# H-Bond Donor:  8
# Rings:  6
# Heavy Atoms:  59

Download Data

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Biological Activities  
Similar NPs/Drugs