Natural Product: NPC44357

Natural Product ID:  NPC44357
Common Name:   Kutzneride 1
IUPAC Name:  
Synonyms:   Kutzneride 1
Molecular Formula:   C37H49Cl2N7O12
Standard InCHIKey:  IAEFGGKMOTXDSA-DGKNJCPKSA-N
Standard InCHI:  InChI=1S/C37H49Cl2N7O12/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/h8-9,18-21,25-27,34,40,43,47,56H,6-7,10-15H2,1-5H3,(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]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)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
NPT4152 Organism Neonectria radicicola Neonectria radicicola Inhibition = 60 % 16203143
NPT3660 Organism Fusarium avenaceum Fusarium avenaceum Inhibition = 60 % 16203143
NPT6216 Organism Cylindrocladium canadense Calonectria canadensis Inhibition = 60 % 16919944
NPT1278 Organism Fusarium culmorum Fusarium culmorum MIC = 210000 nM PubChem BioAssay data set
NPT2647 Organism Drechslera Drechslera MIC = 230000 nM PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 12000 nM PubChem BioAssay data set
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum MIC = 60000 nM PubChem BioAssay data set

  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 NPC44357 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 NPC24661
0.9953 High Similarity NPC275134
0.9953 High Similarity NPC265592
0.9907 High Similarity NPC473702
0.9907 High Similarity NPC256007
0.945 High Similarity NPC137437
0.945 High Similarity NPC112839
0.9406 High Similarity NPC243782
0.7902 Intermediate Similarity NPC471663
0.6758 Remote Similarity NPC285622
0.6468 Remote Similarity NPC68650
0.6432 Remote Similarity NPC475259
0.6432 Remote Similarity NPC470491
0.6423 Remote Similarity NPC471197
0.6414 Remote Similarity NPC469443
0.6397 Remote Similarity NPC471198
0.6392 Remote Similarity NPC323198
0.638 Remote Similarity NPC471124
0.6364 Remote Similarity NPC471945
0.6364 Remote Similarity NPC471950
0.6364 Remote Similarity NPC14812
0.636 Remote Similarity NPC471436
0.6349 Remote Similarity NPC470490
0.6349 Remote Similarity NPC225400
0.6348 Remote Similarity NPC259626
0.6348 Remote Similarity NPC307396
0.6337 Remote Similarity NPC471951
0.6337 Remote Similarity NPC471946
0.6322 Remote Similarity NPC472538
0.6322 Remote Similarity NPC470786
0.6322 Remote Similarity NPC470488
0.6322 Remote Similarity NPC471155
0.6311 Remote Similarity NPC475359
0.6311 Remote Similarity NPC191817
0.6307 Remote Similarity NPC254850
0.6307 Remote Similarity NPC477178
0.6307 Remote Similarity NPC477181
0.6307 Remote Similarity NPC477180
0.6304 Remote Similarity NPC2933
0.6296 Remote Similarity NPC270241
0.6281 Remote Similarity NPC477174
0.6281 Remote Similarity NPC477173
0.627 Remote Similarity NPC64216
0.6266 Remote Similarity NPC477179
0.6261 Remote Similarity NPC256288
0.6256 Remote Similarity NPC129624
0.6255 Remote Similarity NPC220060
0.6245 Remote Similarity NPC473371
0.624 Remote Similarity NPC470489
0.623 Remote Similarity NPC469444
0.623 Remote Similarity NPC285192
0.6223 Remote Similarity NPC229484
0.6218 Remote Similarity NPC90967
0.62 Remote Similarity NPC248601
0.6199 Remote Similarity NPC471122
0.6197 Remote Similarity NPC292675
0.619 Remote Similarity NPC477159
0.6189 Remote Similarity NPC194699
0.6189 Remote Similarity NPC219350
0.618 Remote Similarity NPC473615
0.6175 Remote Similarity NPC219397
0.616 Remote Similarity NPC244425
0.616 Remote Similarity NPC15384
0.6154 Remote Similarity NPC469445
0.615 Remote Similarity NPC475123
0.615 Remote Similarity NPC475204
0.6147 Remote Similarity NPC473341
0.6147 Remote Similarity NPC473404
0.6144 Remote Similarity NPC276430
0.6126 Remote Similarity NPC474896
0.6126 Remote Similarity NPC114806
0.6111 Remote Similarity NPC282092
0.6111 Remote Similarity NPC475609
0.6102 Remote Similarity NPC31097
0.61 Remote Similarity NPC89987
0.6099 Remote Similarity NPC73655
0.6089 Remote Similarity NPC277306
0.6089 Remote Similarity NPC469442
0.6087 Remote Similarity NPC272174
0.6082 Remote Similarity NPC277350
0.6081 Remote Similarity NPC24617
0.608 Remote Similarity NPC478157
0.6079 Remote Similarity NPC46009
0.6077 Remote Similarity NPC220852
0.6074 Remote Similarity NPC477551
0.6073 Remote Similarity NPC478158
0.6071 Remote Similarity NPC281049
0.6071 Remote Similarity NPC77777
0.6069 Remote Similarity NPC28945
0.6068 Remote Similarity NPC299806
0.6066 Remote Similarity NPC295548
0.6055 Remote Similarity NPC7817
0.6055 Remote Similarity NPC475168
0.6045 Remote Similarity NPC470902
0.6042 Remote Similarity NPC470787
0.6042 Remote Similarity NPC472539
0.6042 Remote Similarity NPC472540
0.604 Remote Similarity NPC54744
0.604 Remote Similarity NPC25539
0.6034 Remote Similarity NPC473298
0.6034 Remote Similarity NPC61332
0.6034 Remote Similarity NPC240130
0.6028 Remote Similarity NPC472842
0.6027 Remote Similarity NPC472102
0.6027 Remote Similarity NPC162104
0.6027 Remote Similarity NPC309531
0.6026 Remote Similarity NPC245741
0.6025 Remote Similarity NPC328763
0.6019 Remote Similarity NPC314358
0.6017 Remote Similarity NPC472541
0.6017 Remote Similarity NPC472542
0.6015 Remote Similarity NPC314882
0.6009 Remote Similarity NPC1390
0.6009 Remote Similarity NPC62104
0.6008 Remote Similarity NPC285343
0.6007 Remote Similarity NPC476514
0.6 Remote Similarity NPC477462
0.6 Remote Similarity NPC475969
0.6 Remote Similarity NPC477638
0.6 Remote Similarity NPC475859
0.6 Remote Similarity NPC476515
0.6 Remote Similarity NPC474877
0.6 Remote Similarity NPC315283
0.6 Remote Similarity NPC314388
0.6 Remote Similarity NPC477632
0.6 Remote Similarity NPC85651
0.6 Remote Similarity NPC286871
0.5992 Remote Similarity NPC284706
0.5992 Remote Similarity NPC323662
0.5992 Remote Similarity NPC477552
0.5992 Remote Similarity NPC477550
0.5991 Remote Similarity NPC472115
0.5991 Remote Similarity NPC472114
0.5983 Remote Similarity NPC470112
0.5983 Remote Similarity NPC167763
0.5983 Remote Similarity NPC470903
0.5972 Remote Similarity NPC313867
0.5972 Remote Similarity NPC316008
0.5966 Remote Similarity NPC51047
0.5965 Remote Similarity NPC473000
0.5964 Remote Similarity NPC197743
0.5964 Remote Similarity NPC297145
0.5962 Remote Similarity NPC477175
0.5962 Remote Similarity NPC49583
0.5962 Remote Similarity NPC470730
0.5962 Remote Similarity NPC470729
0.5962 Remote Similarity NPC477176
0.5959 Remote Similarity NPC155143
0.5958 Remote Similarity NPC314083
0.5954 Remote Similarity NPC63279
0.5954 Remote Similarity NPC323752
0.595 Remote Similarity NPC302548
0.5943 Remote Similarity NPC214428
0.5941 Remote Similarity NPC25401
0.5941 Remote Similarity NPC470728
0.5939 Remote Similarity NPC477177
0.5934 Remote Similarity NPC34717
0.5932 Remote Similarity NPC297642
0.5931 Remote Similarity NPC13367
0.5931 Remote Similarity NPC470548
0.5925 Remote Similarity NPC470784
0.5924 Remote Similarity NPC102959
0.5921 Remote Similarity NPC1203
0.5918 Remote Similarity NPC475506
0.5917 Remote Similarity NPC477631
0.5916 Remote Similarity NPC165743
0.5915 Remote Similarity NPC159963
0.5913 Remote Similarity NPC328494
0.5909 Remote Similarity NPC291173
0.5905 Remote Similarity NPC50016
0.5904 Remote Similarity NPC477630
0.5904 Remote Similarity NPC477635
0.5903 Remote Similarity NPC5719
0.5903 Remote Similarity NPC217804
0.5903 Remote Similarity NPC210377
0.5903 Remote Similarity NPC22883
0.5901 Remote Similarity NPC321939
0.59 Remote Similarity NPC60516
0.5899 Remote Similarity NPC5620
0.5898 Remote Similarity NPC274268
0.5896 Remote Similarity NPC320968
0.5893 Remote Similarity NPC324850
0.5887 Remote Similarity NPC137627
0.5885 Remote Similarity NPC475559
0.5882 Remote Similarity NPC181928
0.5882 Remote Similarity NPC14994
0.5878 Remote Similarity NPC475489
0.5878 Remote Similarity NPC14288
0.5873 Remote Similarity NPC75634
0.587 Remote Similarity NPC40234
0.587 Remote Similarity NPC478006
0.5869 Remote Similarity NPC477394
0.5869 Remote Similarity NPC122886
0.5868 Remote Similarity NPC221687
0.5865 Remote Similarity NPC470785
0.5862 Remote Similarity NPC33949
0.5862 Remote Similarity NPC476227
0.5862 Remote Similarity NPC471165
0.586 Remote Similarity NPC239762
0.586 Remote Similarity NPC163392

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC44357 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
0.6784 Remote Similarity NPD6058 Phase 2
0.6549 Remote Similarity NPD7252 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6326 Remote Similarity NPD4731 Phase 3
0.6308 Remote Similarity NPD7576 Discontinued
0.6255 Remote Similarity NPD7805 Phase 3
0.6245 Remote Similarity NPD6878 Phase 2
0.6245 Remote Similarity NPD6879 Phase 2
0.6194 Remote Similarity NPD8463 Approved
0.6188 Remote Similarity NPD3790 Phase 2
0.6186 Remote Similarity NPD5308 Clinical (unspecified phase)
0.6184 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6161 Remote Similarity NPD4976 Discontinued
0.616 Remote Similarity NPD7429 Clinical (unspecified phase)
0.6144 Remote Similarity NPD8240 Discontinued
0.614 Remote Similarity NPD5309 Clinical (unspecified phase)
0.6137 Remote Similarity NPD6557 Phase 2
0.6118 Remote Similarity NPD5214 Phase 2
0.6034 Remote Similarity NPD3227 Phase 2
0.6032 Remote Similarity NPD8027 Approved
0.5982 Remote Similarity NPD4485 Approved
0.5963 Remote Similarity NPD4588 Clinical (unspecified phase)
0.5962 Remote Similarity NPD6035 Phase 2
0.5947 Remote Similarity NPD6982 Phase 2
0.5943 Remote Similarity NPD6519 Phase 2
0.5941 Remote Similarity NPD2327 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6596 Phase 2
0.5929 Remote Similarity NPD7218 Clinical (unspecified phase)
0.5923 Remote Similarity NPD7574 Phase 2
0.5897 Remote Similarity NPD7963 Phase 3
0.588 Remote Similarity NPD5498 Phase 2
0.5878 Remote Similarity NPD8372 Clinical (unspecified phase)
0.5877 Remote Similarity NPD1702 Phase 3
0.5875 Remote Similarity NPD5042 Phase 1
0.5872 Remote Similarity NPD7149 Clinical (unspecified phase)
0.5861 Remote Similarity NPD5856 Discontinued
0.5858 Remote Similarity NPD5449 Clinical (unspecified phase)
0.5857 Remote Similarity NPD4900 Clinical (unspecified phase)
0.5851 Remote Similarity NPD6665 Discontinued
0.5844 Remote Similarity NPD5411 Discontinued
0.5841 Remote Similarity NPD7599 Phase 2
0.5833 Remote Similarity NPD7470 Discontinued
0.5827 Remote Similarity NPD3757 Clinical (unspecified phase)
0.5824 Remote Similarity NPD7412 Clinical (unspecified phase)
0.5823 Remote Similarity NPD4901 Clinical (unspecified phase)
0.5815 Remote Similarity NPD7600 Phase 2
0.5811 Remote Similarity NPD8329 Phase 3
0.5811 Remote Similarity NPD6078 Clinical (unspecified phase)
0.5809 Remote Similarity NPD3884 Discontinued
0.5808 Remote Similarity NPD3363 Clinical (unspecified phase)
0.5808 Remote Similarity NPD8303 Discontinued
0.5806 Remote Similarity NPD6445 Discontinued
0.5802 Remote Similarity NPD4771 Phase 2
0.5801 Remote Similarity NPD2350 Clinical (unspecified phase)
0.58 Remote Similarity NPD5054 Clinical (unspecified phase)
0.5793 Remote Similarity NPD5807 Phase 2
0.5787 Remote Similarity NPD3243 Approved
0.5785 Remote Similarity NPD7569 Approved
0.5785 Remote Similarity NPD7570 Approved
0.5776 Remote Similarity NPD7772 Phase 3
0.5772 Remote Similarity NPD6249 Phase 2
0.5772 Remote Similarity NPD6248 Phase 2
0.5763 Remote Similarity NPD4086 Phase 1
0.576 Remote Similarity NPD6905 Phase 2
0.5758 Remote Similarity NPD5830 Clinical (unspecified phase)
0.5752 Remote Similarity NPD7118 Clinical (unspecified phase)
0.5752 Remote Similarity NPD7105 Phase 1
0.575 Remote Similarity NPD6483 Approved
0.575 Remote Similarity NPD6484 Approved
0.5746 Remote Similarity NPD6154 Approved
0.5744 Remote Similarity NPD5076 Approved
0.5744 Remote Similarity NPD3304 Phase 2
0.5744 Remote Similarity NPD5077 Approved
0.5732 Remote Similarity NPD2397 Discontinued
0.5726 Remote Similarity NPD7973 Discontinued
0.5726 Remote Similarity NPD6238 Discontinued
0.572 Remote Similarity NPD5587 Approved
0.572 Remote Similarity NPD7589 Clinical (unspecified phase)
0.572 Remote Similarity NPD8271 Discontinued
0.572 Remote Similarity NPD7824 Approved
0.5709 Remote Similarity NPD7542 Phase 3
0.5709 Remote Similarity NPD7621 Clinical (unspecified phase)
0.5704 Remote Similarity NPD7432 Phase 2
0.5703 Remote Similarity NPD2498 Approved
0.5695 Remote Similarity NPD5941 Approved
0.5695 Remote Similarity NPD5942 Approved
0.5694 Remote Similarity NPD8173 Phase 2
0.5694 Remote Similarity NPD8172 Phase 2
0.5691 Remote Similarity NPD4423 Clinical (unspecified phase)
0.5689 Remote Similarity NPD6670 Clinical (unspecified phase)
0.5684 Remote Similarity NPD8124 Phase 3
0.5684 Remote Similarity NPD8126 Clinical (unspecified phase)
0.568 Remote Similarity NPD5487 Phase 1
0.5679 Remote Similarity NPD4699 Discontinued
0.5677 Remote Similarity NPD7080 Clinical (unspecified phase)
0.5672 Remote Similarity NPD3990 Phase 3
0.5672 Remote Similarity NPD6735 Approved
0.567 Remote Similarity NPD6689 Clinical (unspecified phase)
0.5664 Remote Similarity NPD7616 Discontinued
0.5663 Remote Similarity NPD7903 Clinical (unspecified phase)
0.5661 Remote Similarity NPD1339 Discontinued
0.566 Remote Similarity NPD8374 Phase 3
0.5658 Remote Similarity NPD8630 Approved
0.5658 Remote Similarity NPD5715 Clinical (unspecified phase)
0.5657 Remote Similarity NPD2723 Phase 3
0.5649 Remote Similarity NPD5596 Phase 2
0.5644 Remote Similarity NPD7730 Approved
0.5644 Remote Similarity NPD7731 Approved
0.5638 Remote Similarity NPD2564 Approved
0.5638 Remote Similarity NPD2565 Phase 2
0.5633 Remote Similarity NPD4526 Approved
0.5633 Remote Similarity NPD4528 Approved
0.5633 Remote Similarity NPD4591 Clinical (unspecified phase)
0.5633 Remote Similarity NPD4590 Approved
0.5633 Remote Similarity NPD4529 Approved
0.5632 Remote Similarity NPD6615 Clinical (unspecified phase)
0.563 Remote Similarity NPD3989 Phase 3
0.5628 Remote Similarity NPD5003 Discontinued
0.5628 Remote Similarity NPD3828 Approved
0.5625 Remote Similarity NPD7594 Clinical (unspecified phase)
0.5622 Remote Similarity NPD6805 Discontinued
0.5619 Remote Similarity NPD3306 Approved
0.5619 Remote Similarity NPD1879 Approved
0.5614 Remote Similarity NPD1663 Discontinued
0.5613 Remote Similarity NPD4454 Phase 2
0.5613 Remote Similarity NPD8493 Clinical (unspecified phase)
0.5608 Remote Similarity NPD7809 Clinical (unspecified phase)
0.5605 Remote Similarity NPD3230 Clinical (unspecified phase)
0.56 Remote Similarity NPD7613 Discontinued
0.56 Remote Similarity NPD7727 Phase 2

Structure

External Identifiers

PubChem CID   11585982
ChEMBL   CHEMBL507102
ZINC  

Physicochemical Properties

Molecular Weight:  853.28
ALogP:  -1.6248
MLogP:  3.22
XLogP:  1.3
# Rotatable Bonds:  20
Polar Surface Area:  275.74
# H-Bond Aceptor:  19
# H-Bond Donor:  8
# Rings:  6
# Heavy Atoms:  58

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs