Natural Product: NPC478256

Natural Product ID:  NPC478256
Common Name:   Nodupetide
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H49N5O7
Standard InCHIKey:  HWMVMWVGJHANPN-RAPIQGGHSA-N
Standard InCHI:  InChI=1S/C28H49N5O7/c1-10-17(8)20-12-21(34)29-13-22(35)32-23(15(4)5)27(38)31-19(11-14(2)3)26(37)30-18(9)25(36)33-24(16(6)7)28(39)40-20/h14-20,23-24H,10-13H2,1-9H3,(H,29,34)(H,30,37)(H,31,38)(H,32,35)(H,33,36)/t17-,18-,19?,20-,23-,24-/m0/s1
Canonical SMILES:  CC[C@@H]([C@@H]1CC(=NCC(=N[C@@H](C(C)C)C(=NC(C(=N[C@H](C(=N[C@H](C(=O)O1)C(C)C)O)C)O)CC(C)C)O)O)O)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
NPO33690 Nodulisporium sp. IFB-A163 Species Xylariaceae Eukaryota isolated from the R. pedestris gut DOI[10.1016/j.tetlet.2017.01.009]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 5 µM 10.1016/j.tetlet.2017.01.009
NPT2720 Organism Nilaparvata lugens Nilaparvata lugens LD50 = 70 ng/larva 10.1016/j.tetlet.2017.01.009

  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 NPC478256 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
0.9265 High Similarity NPC43219
0.913 High Similarity NPC86064
0.8451 Intermediate Similarity NPC138435
0.831 Intermediate Similarity NPC141325
0.8286 Intermediate Similarity NPC476285
0.8286 Intermediate Similarity NPC476291
0.8219 Intermediate Similarity NPC476130
0.8219 Intermediate Similarity NPC476324
0.8077 Intermediate Similarity NPC145748
0.8077 Intermediate Similarity NPC155670
0.8077 Intermediate Similarity NPC95478
0.7975 Intermediate Similarity NPC227051
0.7945 Intermediate Similarity NPC476248
0.7887 Intermediate Similarity NPC314273
0.7887 Intermediate Similarity NPC474299
0.7887 Intermediate Similarity NPC28348
0.7887 Intermediate Similarity NPC193280
0.7887 Intermediate Similarity NPC475808
0.7887 Intermediate Similarity NPC473985
0.7887 Intermediate Similarity NPC474298
0.7763 Intermediate Similarity NPC316242
0.7711 Intermediate Similarity NPC477729
0.7662 Intermediate Similarity NPC315131
0.7662 Intermediate Similarity NPC478017
0.7662 Intermediate Similarity NPC315535
0.7639 Intermediate Similarity NPC472579
0.7632 Intermediate Similarity NPC472594
0.76 Intermediate Similarity NPC472595
0.7561 Intermediate Similarity NPC477728
0.7468 Intermediate Similarity NPC314466
0.7333 Intermediate Similarity NPC474403
0.7284 Intermediate Similarity NPC477730
0.726 Intermediate Similarity NPC470110
0.7246 Intermediate Similarity NPC327170
0.7246 Intermediate Similarity NPC329564
0.7215 Intermediate Similarity NPC473984
0.7206 Intermediate Similarity NPC472578
0.7183 Intermediate Similarity NPC145658
0.7143 Intermediate Similarity NPC477644
0.7123 Intermediate Similarity NPC470109
0.7101 Intermediate Similarity NPC473599
0.7101 Intermediate Similarity NPC317143
0.7101 Intermediate Similarity NPC321468
0.7101 Intermediate Similarity NPC316826
0.7101 Intermediate Similarity NPC327748
0.7077 Intermediate Similarity NPC322946
0.7073 Intermediate Similarity NPC47135
0.7059 Intermediate Similarity NPC318260
0.7059 Intermediate Similarity NPC317147
0.7033 Intermediate Similarity NPC220234
0.7031 Intermediate Similarity NPC80350
0.7 Intermediate Similarity NPC471129
0.6986 Remote Similarity NPC470108
0.6932 Remote Similarity NPC270005
0.6932 Remote Similarity NPC471098
0.6932 Remote Similarity NPC62263
0.6932 Remote Similarity NPC208537
0.6932 Remote Similarity NPC173763
0.6897 Remote Similarity NPC475801
0.6897 Remote Similarity NPC474593
0.6883 Remote Similarity NPC477643
0.6883 Remote Similarity NPC477641
0.6883 Remote Similarity NPC320865
0.6875 Remote Similarity NPC37681
0.6842 Remote Similarity NPC477642
0.6818 Remote Similarity NPC474576
0.6809 Remote Similarity NPC124554
0.6809 Remote Similarity NPC5864
0.6809 Remote Similarity NPC301148
0.6747 Remote Similarity NPC246005
0.6667 Remote Similarity NPC124549
0.6667 Remote Similarity NPC474312
0.662 Remote Similarity NPC320598
0.662 Remote Similarity NPC254541
0.6618 Remote Similarity NPC316889
0.6618 Remote Similarity NPC321118
0.6591 Remote Similarity NPC193386
0.6579 Remote Similarity NPC195165
0.6562 Remote Similarity NPC198344
0.6556 Remote Similarity NPC315237
0.6538 Remote Similarity NPC477200
0.6494 Remote Similarity NPC474812
0.6479 Remote Similarity NPC176164
0.6479 Remote Similarity NPC189301
0.6471 Remote Similarity NPC137327
0.6465 Remote Similarity NPC171734
0.6465 Remote Similarity NPC67009
0.6463 Remote Similarity NPC477145
0.6463 Remote Similarity NPC473741
0.6456 Remote Similarity NPC315897
0.6418 Remote Similarity NPC329181
0.6418 Remote Similarity NPC319110
0.6389 Remote Similarity NPC321536
0.6377 Remote Similarity NPC270041
0.6375 Remote Similarity NPC263281
0.6375 Remote Similarity NPC178919
0.6353 Remote Similarity NPC84128
0.6353 Remote Similarity NPC53858
0.6316 Remote Similarity NPC475440
0.6316 Remote Similarity NPC474402
0.6286 Remote Similarity NPC322573
0.6269 Remote Similarity NPC328378
0.6265 Remote Similarity NPC191774
0.6264 Remote Similarity NPC477538
0.625 Remote Similarity NPC55274
0.6237 Remote Similarity NPC470283
0.6207 Remote Similarity NPC320936
0.619 Remote Similarity NPC474833
0.6162 Remote Similarity NPC323720
0.6154 Remote Similarity NPC471202
0.6154 Remote Similarity NPC63191
0.6154 Remote Similarity NPC10716
0.6146 Remote Similarity NPC475758
0.6136 Remote Similarity NPC476523
0.6133 Remote Similarity NPC145627
0.6133 Remote Similarity NPC327252
0.6129 Remote Similarity NPC226513
0.6122 Remote Similarity NPC475149
0.6122 Remote Similarity NPC471097
0.6119 Remote Similarity NPC87359
0.6119 Remote Similarity NPC180402
0.6105 Remote Similarity NPC473597
0.61 Remote Similarity NPC475918
0.61 Remote Similarity NPC475637
0.6095 Remote Similarity NPC471645
0.6082 Remote Similarity NPC13175
0.6082 Remote Similarity NPC475791
0.6081 Remote Similarity NPC143722
0.6076 Remote Similarity NPC126779
0.6076 Remote Similarity NPC29598
0.6076 Remote Similarity NPC212866
0.6047 Remote Similarity NPC476302
0.6044 Remote Similarity NPC322966
0.6027 Remote Similarity NPC328447
0.6027 Remote Similarity NPC190385
0.6023 Remote Similarity NPC323180
0.6 Remote Similarity NPC273814
0.6 Remote Similarity NPC263065
0.6 Remote Similarity NPC205176
0.6 Remote Similarity NPC189178
0.5978 Remote Similarity NPC39290
0.5978 Remote Similarity NPC159369
0.5974 Remote Similarity NPC41429
0.5974 Remote Similarity NPC128559
0.5972 Remote Similarity NPC325985
0.5972 Remote Similarity NPC38463
0.5955 Remote Similarity NPC175419
0.5949 Remote Similarity NPC306696
0.5943 Remote Similarity NPC103391
0.5943 Remote Similarity NPC472536
0.5942 Remote Similarity NPC327239
0.593 Remote Similarity NPC476137
0.593 Remote Similarity NPC476156
0.593 Remote Similarity NPC476243
0.593 Remote Similarity NPC474702
0.593 Remote Similarity NPC476117
0.5922 Remote Similarity NPC329305
0.5914 Remote Similarity NPC476019
0.5897 Remote Similarity NPC326651
0.5897 Remote Similarity NPC325117
0.5897 Remote Similarity NPC322319
0.5882 Remote Similarity NPC233108
0.5872 Remote Similarity NPC169328
0.5872 Remote Similarity NPC477237
0.587 Remote Similarity NPC470284
0.5867 Remote Similarity NPC470363
0.5844 Remote Similarity NPC57420
0.5844 Remote Similarity NPC315744
0.5843 Remote Similarity NPC472351
0.5842 Remote Similarity NPC74035
0.5824 Remote Similarity NPC119633
0.5824 Remote Similarity NPC171698
0.5824 Remote Similarity NPC270957
0.5824 Remote Similarity NPC323958
0.5824 Remote Similarity NPC321340
0.5823 Remote Similarity NPC118524
0.5821 Remote Similarity NPC308301
0.5818 Remote Similarity NPC310467
0.5814 Remote Similarity NPC31756
0.581 Remote Similarity NPC476875
0.5797 Remote Similarity NPC245027
0.5797 Remote Similarity NPC174246
0.5797 Remote Similarity NPC162620
0.5797 Remote Similarity NPC84636
0.5797 Remote Similarity NPC226027
0.5797 Remote Similarity NPC62045
0.5797 Remote Similarity NPC43204
0.5775 Remote Similarity NPC329495
0.5773 Remote Similarity NPC47076
0.5773 Remote Similarity NPC134504
0.5769 Remote Similarity NPC174304
0.5769 Remote Similarity NPC325597
0.5766 Remote Similarity NPC477238
0.5765 Remote Similarity NPC330017
0.5761 Remote Similarity NPC52533
0.575 Remote Similarity NPC319046
0.5735 Remote Similarity NPC319709
0.5735 Remote Similarity NPC289484
0.5714 Remote Similarity NPC105297
0.5699 Remote Similarity NPC292345

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478256 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
0.8676 High Similarity NPD3724 Clinical (unspecified phase)
0.8116 Intermediate Similarity NPD2263 Discontinued
0.7662 Intermediate Similarity NPD7918 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD7917 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD2689 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1453 Phase 1
0.716 Intermediate Similarity NPD1448 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD3160 Suspended
0.7077 Intermediate Similarity NPD9441 Phase 2
0.7073 Intermediate Similarity NPD7345 Approved
0.6883 Remote Similarity NPD2256 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3187 Discontinued
0.6622 Remote Similarity NPD1831 Phase 3
0.6618 Remote Similarity NPD9419 Clinical (unspecified phase)
0.6517 Remote Similarity NPD3716 Discontinued
0.6456 Remote Similarity NPD1825 Clinical (unspecified phase)
0.6456 Remote Similarity NPD6944 Clinical (unspecified phase)
0.6413 Remote Similarity NPD8394 Approved
0.6395 Remote Similarity NPD3733 Clinical (unspecified phase)
0.6304 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6292 Remote Similarity NPD4759 Clinical (unspecified phase)
0.6286 Remote Similarity NPD1830 Clinical (unspecified phase)
0.6279 Remote Similarity NPD4829 Discontinued
0.6277 Remote Similarity NPD4228 Discovery
0.6277 Remote Similarity NPD6428 Approved
0.6267 Remote Similarity NPD364 Discontinued
0.6265 Remote Similarity NPD4278 Clinical (unspecified phase)
0.6264 Remote Similarity NPD6094 Approved
0.6264 Remote Similarity NPD6095 Approved
0.625 Remote Similarity NPD9433 Approved
0.6222 Remote Similarity NPD4264 Clinical (unspecified phase)
0.6216 Remote Similarity NPD574 Approved
0.6203 Remote Similarity NPD2695 Approved
0.6203 Remote Similarity NPD2697 Approved
0.6203 Remote Similarity NPD2694 Approved
0.6203 Remote Similarity NPD2696 Approved
0.617 Remote Similarity NPD7844 Discontinued
0.6133 Remote Similarity NPD575 Clinical (unspecified phase)
0.6092 Remote Similarity NPD7643 Phase 1
0.6076 Remote Similarity NPD7840 Approved
0.6076 Remote Similarity NPD1815 Discontinued
0.6076 Remote Similarity NPD4242 Approved
0.6067 Remote Similarity NPD3723 Clinical (unspecified phase)
0.6049 Remote Similarity NPD1147 Phase 2
0.6027 Remote Similarity NPD9661 Approved
0.6027 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6026 Remote Similarity NPD1429 Clinical (unspecified phase)
0.6024 Remote Similarity NPD2257 Approved
0.6019 Remote Similarity NPD6421 Discontinued
0.6 Remote Similarity NPD9205 Approved
0.6 Remote Similarity NPD9204 Approved
0.5972 Remote Similarity NPD9659 Approved
0.597 Remote Similarity NPD379 Clinical (unspecified phase)
0.5949 Remote Similarity NPD4241 Registered
0.5926 Remote Similarity NPD2262 Clinical (unspecified phase)
0.5922 Remote Similarity NPD6413 Approved
0.5889 Remote Similarity NPD7760 Phase 2
0.5889 Remote Similarity NPD7759 Phase 2
0.5882 Remote Similarity NPD8144 Approved
0.5882 Remote Similarity NPD8143 Approved
0.5854 Remote Similarity NPD6704 Discontinued
0.5851 Remote Similarity NPD6699 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4277 Approved
0.5833 Remote Similarity NPD4276 Approved
0.5823 Remote Similarity NPD5380 Approved
0.5823 Remote Similarity NPD886 Clinical (unspecified phase)
0.5797 Remote Similarity NPD9018 Approved
0.5797 Remote Similarity NPD9017 Approved
0.5795 Remote Similarity NPD2683 Discontinued
0.5794 Remote Similarity NPD7915 Approved
0.5794 Remote Similarity NPD7916 Approved
0.5783 Remote Similarity NPD355 Phase 2
0.5769 Remote Similarity NPD8306 Approved
0.5769 Remote Similarity NPD348 Approved
0.5769 Remote Similarity NPD8305 Approved
0.575 Remote Similarity NPD337 Discontinued
0.5743 Remote Similarity NPD8045 Clinical (unspecified phase)
0.5743 Remote Similarity NPD6122 Discontinued
0.5735 Remote Similarity NPD3211 Approved
0.5733 Remote Similarity NPD354 Approved
0.5732 Remote Similarity NPD9446 Approved
0.5714 Remote Similarity NPD8038 Phase 2
0.5714 Remote Similarity NPD903 Approved
0.5714 Remote Similarity NPD329 Discontinued
0.5699 Remote Similarity NPD618 Clinical (unspecified phase)
0.5672 Remote Similarity NPD9658 Clinical (unspecified phase)
0.567 Remote Similarity NPD7841 Clinical (unspecified phase)
0.5652 Remote Similarity NPD2266 Phase 2
0.5634 Remote Similarity NPD8846 Approved
0.5634 Remote Similarity NPD61 Approved
0.5634 Remote Similarity NPD8847 Approved
0.5632 Remote Similarity NPD4815 Discontinued
0.5612 Remote Similarity NPD3190 Approved
0.5612 Remote Similarity NPD3189 Approved
0.5612 Remote Similarity NPD3191 Approved
0.561 Remote Similarity NPD3725 Approved
0.561 Remote Similarity NPD3726 Approved
0.561 Remote Similarity NPD9445 Approved
0.56 Remote Similarity NPD8418 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  567.36
ALogP:  0.5774
MLogP:  3.22
XLogP:  3.046
# Rotatable Bonds:  20
Polar Surface Area:  189.25
# H-Bond Aceptor:  12
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  40

Download Data

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