Natural Product: NPC475330

Natural Product ID:  NPC475330
Common Name:   Patellamide F
IUPAC Name:  
Synonyms:   Patellamide F
Molecular Formula:   C37H46N8O6S2
Standard InCHIKey:  DIJMIACMPAVWLR-HJXMHUEUSA-N
Standard InCHI:  InChI=1S/C37H46N8O6S2/c1-17(2)26-34-39-23(14-50-34)30(46)38-22(13-21-11-9-8-10-12-21)36-40-24(15-52-36)31(47)43-27(18(3)4)35-45-29(20(7)51-35)33(49)44-28(19(5)6)37-41-25(16-53-37)32(48)42-26/h8-12,15-20,22-23,26-29H,13-14H2,1-7H3,(H,38,46)(H,42,48)(H,43,47)(H,44,49)/t20-,22-,23+,26+,27+,28-,29+/m1/s1
Canonical SMILES:  OC1=N[C@H](Cc2ccccc2)c2scc(n2)C(=N[C@@H](C(C)C)C2=N[C@@H]([C@H](O2)C)C(=N[C@@H](c2nc(C(=N[C@H](C3=N[C@H]1CO3)C(C)C)O)cs2)C(C)C)O)O
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
NPO4712 Lissoclinum patella Species Didemnidae Eukaryota PMID[7623037]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified LC50 = 48000 nM Open TG-GATES in vivo data: Biochemistry

  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 NPC475330 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
0.9938 High Similarity NPC174652
0.9938 High Similarity NPC229160
0.9938 High Similarity NPC263485
0.9938 High Similarity NPC25316
0.9689 High Similarity NPC476080
0.9689 High Similarity NPC161242
0.9689 High Similarity NPC475534
0.9259 High Similarity NPC476103
0.9198 High Similarity NPC24990
0.7967 Intermediate Similarity NPC329961
0.7944 Intermediate Similarity NPC96016
0.788 Intermediate Similarity NPC165538
0.7869 Intermediate Similarity NPC122427
0.7688 Intermediate Similarity NPC120917
0.765 Intermediate Similarity NPC49051
0.7625 Intermediate Similarity NPC74917
0.7375 Intermediate Similarity NPC89592
0.7286 Intermediate Similarity NPC145178
0.7286 Intermediate Similarity NPC475350
0.7286 Intermediate Similarity NPC14877
0.7264 Intermediate Similarity NPC251036
0.7233 Intermediate Similarity NPC51692
0.7166 Intermediate Similarity NPC161143
0.715 Intermediate Similarity NPC106235
0.715 Intermediate Similarity NPC239660
0.7125 Intermediate Similarity NPC267605
0.7044 Intermediate Similarity NPC135558
0.6897 Remote Similarity NPC319751
0.6884 Remote Similarity NPC469858
0.6818 Remote Similarity NPC473398
0.6813 Remote Similarity NPC214375
0.678 Remote Similarity NPC119481
0.6724 Remote Similarity NPC469801
0.6697 Remote Similarity NPC475196
0.6618 Remote Similarity NPC75498
0.6554 Remote Similarity NPC475390
0.6536 Remote Similarity NPC283783
0.65 Remote Similarity NPC313966
0.65 Remote Similarity NPC314254
0.6489 Remote Similarity NPC475920
0.6443 Remote Similarity NPC249662
0.6402 Remote Similarity NPC79386
0.6368 Remote Similarity NPC470146
0.6368 Remote Similarity NPC101980
0.6368 Remote Similarity NPC97078
0.6364 Remote Similarity NPC478030
0.6321 Remote Similarity NPC317725
0.6321 Remote Similarity NPC317362
0.6321 Remote Similarity NPC318930
0.6321 Remote Similarity NPC326407
0.6307 Remote Similarity NPC89489
0.6268 Remote Similarity NPC257511
0.6257 Remote Similarity NPC315252
0.6234 Remote Similarity NPC75609
0.6234 Remote Similarity NPC140284
0.6223 Remote Similarity NPC237219
0.6176 Remote Similarity NPC475568
0.6166 Remote Similarity NPC164006
0.6163 Remote Similarity NPC475604
0.6124 Remote Similarity NPC103268
0.6073 Remote Similarity NPC49195
0.6059 Remote Similarity NPC188104
0.6038 Remote Similarity NPC314930
0.6038 Remote Similarity NPC214827
0.6021 Remote Similarity NPC56058
0.6021 Remote Similarity NPC522
0.6011 Remote Similarity NPC474070
0.601 Remote Similarity NPC132662
0.5978 Remote Similarity NPC470824
0.5957 Remote Similarity NPC14101
0.5953 Remote Similarity NPC475024
0.5936 Remote Similarity NPC475683
0.5936 Remote Similarity NPC157194
0.5936 Remote Similarity NPC474080
0.5936 Remote Similarity NPC474102
0.5936 Remote Similarity NPC474079
0.5936 Remote Similarity NPC21449
0.5926 Remote Similarity NPC268063
0.5926 Remote Similarity NPC224609
0.5922 Remote Similarity NPC197881
0.5915 Remote Similarity NPC138562
0.5914 Remote Similarity NPC315061
0.5909 Remote Similarity NPC300315
0.5898 Remote Similarity NPC315411
0.5892 Remote Similarity NPC474069
0.5885 Remote Similarity NPC231110
0.5882 Remote Similarity NPC474064
0.5882 Remote Similarity NPC474103
0.5882 Remote Similarity NPC474068
0.5882 Remote Similarity NPC82436
0.5882 Remote Similarity NPC7817
0.5882 Remote Similarity NPC475168
0.5877 Remote Similarity NPC313421
0.5873 Remote Similarity NPC252616
0.5873 Remote Similarity NPC163147
0.5873 Remote Similarity NPC32583
0.5873 Remote Similarity NPC109498
0.5873 Remote Similarity NPC45576
0.5873 Remote Similarity NPC50274
0.5873 Remote Similarity NPC61667
0.5873 Remote Similarity NPC474090
0.5873 Remote Similarity NPC154873
0.5871 Remote Similarity NPC164228
0.5869 Remote Similarity NPC182507
0.5855 Remote Similarity NPC312887
0.5854 Remote Similarity NPC238242
0.5845 Remote Similarity NPC110602
0.5845 Remote Similarity NPC75726
0.5845 Remote Similarity NPC31385
0.5833 Remote Similarity NPC127775
0.5833 Remote Similarity NPC474538
0.582 Remote Similarity NPC185665
0.582 Remote Similarity NPC474094
0.582 Remote Similarity NPC474067
0.582 Remote Similarity NPC475737
0.5815 Remote Similarity NPC476978
0.5789 Remote Similarity NPC206724
0.5789 Remote Similarity NPC474515
0.5789 Remote Similarity NPC470902
0.5787 Remote Similarity NPC34319
0.5775 Remote Similarity NPC105717
0.5769 Remote Similarity NPC478029
0.5765 Remote Similarity NPC473886
0.5759 Remote Similarity NPC161108
0.5753 Remote Similarity NPC190329
0.5753 Remote Similarity NPC262077
0.5751 Remote Similarity NPC52587
0.575 Remote Similarity NPC477462
0.5747 Remote Similarity NPC46427
0.5735 Remote Similarity NPC163055
0.5729 Remote Similarity NPC202591
0.5729 Remote Similarity NPC470507
0.5729 Remote Similarity NPC212214
0.5728 Remote Similarity NPC18487
0.5722 Remote Similarity NPC83790
0.5722 Remote Similarity NPC287401
0.5722 Remote Similarity NPC128237
0.5721 Remote Similarity NPC24594
0.5721 Remote Similarity NPC472122
0.5721 Remote Similarity NPC193761
0.5714 Remote Similarity NPC222391
0.5714 Remote Similarity NPC476118
0.5708 Remote Similarity NPC162860
0.5708 Remote Similarity NPC478158
0.5707 Remote Similarity NPC256912
0.57 Remote Similarity NPC329731
0.57 Remote Similarity NPC4910
0.57 Remote Similarity NPC134480
0.5699 Remote Similarity NPC316008
0.5699 Remote Similarity NPC313867
0.5699 Remote Similarity NPC21126
0.5694 Remote Similarity NPC143325
0.5692 Remote Similarity NPC110129
0.5692 Remote Similarity NPC201014
0.569 Remote Similarity NPC252878
0.5685 Remote Similarity NPC475554
0.5684 Remote Similarity NPC478028
0.5683 Remote Similarity NPC253987
0.5674 Remote Similarity NPC475506
0.5673 Remote Similarity NPC46413
0.5672 Remote Similarity NPC473704
0.5672 Remote Similarity NPC469938
0.5668 Remote Similarity NPC314358
0.5654 Remote Similarity NPC148592
0.5654 Remote Similarity NPC286551
0.565 Remote Similarity NPC273714
0.5648 Remote Similarity NPC155143
0.5648 Remote Similarity NPC477815
0.5645 Remote Similarity NPC314388
0.5645 Remote Similarity NPC315283
0.5637 Remote Similarity NPC187827
0.5637 Remote Similarity NPC472105
0.5636 Remote Similarity NPC107077
0.5636 Remote Similarity NPC223791
0.5631 Remote Similarity NPC472294
0.5619 Remote Similarity NPC313804
0.5619 Remote Similarity NPC315804
0.5618 Remote Similarity NPC151779
0.5616 Remote Similarity NPC326575
0.5616 Remote Similarity NPC54420
0.5616 Remote Similarity NPC211997
0.5616 Remote Similarity NPC323927
0.5616 Remote Similarity NPC248454
0.5615 Remote Similarity NPC322878
0.5615 Remote Similarity NPC88121
0.5613 Remote Similarity NPC184933
0.5613 Remote Similarity NPC294693
0.5613 Remote Similarity NPC59827
0.5611 Remote Similarity NPC130309
0.5607 Remote Similarity NPC473640
0.5602 Remote Similarity NPC37548

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475330 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
0.7323 Intermediate Similarity NPD8260 Approved
0.7273 Intermediate Similarity NPD8071 Approved
0.7258 Intermediate Similarity NPD7977 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8339 Clinical (unspecified phase)
0.6927 Remote Similarity NPD6632 Clinical (unspecified phase)
0.6722 Remote Similarity NPD5189 Clinical (unspecified phase)
0.6684 Remote Similarity NPD6348 Clinical (unspecified phase)
0.6651 Remote Similarity NPD7806 Phase 2
0.6648 Remote Similarity NPD5634 Approved
0.6548 Remote Similarity NPD6349 Phase 1
0.6382 Remote Similarity NPD2015 Discontinued
0.6308 Remote Similarity NPD2957 Phase 2
0.6275 Remote Similarity NPD3127 Clinical (unspecified phase)
0.6237 Remote Similarity NPD6915 Approved
0.622 Remote Similarity NPD6888 Discontinued
0.6214 Remote Similarity NPD3469 Phase 3
0.6204 Remote Similarity NPD5191 Clinical (unspecified phase)
0.6158 Remote Similarity NPD4949 Discontinued
0.6154 Remote Similarity NPD924 Discontinued
0.615 Remote Similarity NPD6092 Discontinued
0.6131 Remote Similarity NPD1745 Approved
0.6121 Remote Similarity NPD4741 Phase 3
0.6121 Remote Similarity NPD4742 Phase 3
0.6108 Remote Similarity NPD3575 Approved
0.6108 Remote Similarity NPD3576 Approved
0.6099 Remote Similarity NPD7540 Clinical (unspecified phase)
0.6098 Remote Similarity NPD2717 Phase 2
0.6095 Remote Similarity NPD6308 Phase 1
0.6085 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6085 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6085 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6071 Remote Similarity NPD4856 Approved
0.6071 Remote Similarity NPD4855 Phase 1
0.6066 Remote Similarity NPD5503 Approved
0.6066 Remote Similarity NPD5502 Approved
0.6049 Remote Similarity NPD8284 Discontinued
0.6029 Remote Similarity NPD5828 Phase 2
0.6023 Remote Similarity NPD5702 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3015 Discontinued
0.6019 Remote Similarity NPD7321 Clinical (unspecified phase)
0.601 Remote Similarity NPD5755 Clinical (unspecified phase)
0.6 Remote Similarity NPD3759 Clinical (unspecified phase)
0.5991 Remote Similarity NPD7195 Clinical (unspecified phase)
0.5991 Remote Similarity NPD7816 Clinical (unspecified phase)
0.5982 Remote Similarity NPD7496 Phase 2
0.598 Remote Similarity NPD8110 Clinical (unspecified phase)
0.5978 Remote Similarity NPD649 Clinical (unspecified phase)
0.597 Remote Similarity NPD5596 Phase 2
0.5969 Remote Similarity NPD647 Approved
0.5968 Remote Similarity NPD1004 Phase 2
0.5968 Remote Similarity NPD1005 Phase 2
0.5965 Remote Similarity NPD4929 Approved
0.5965 Remote Similarity NPD4930 Approved
0.5965 Remote Similarity NPD4928 Approved
0.5956 Remote Similarity NPD7711 Discontinued
0.5943 Remote Similarity NPD4134 Clinical (unspecified phase)
0.5932 Remote Similarity NPD6205 Discontinued
0.5918 Remote Similarity NPD4650 Approved
0.5904 Remote Similarity NPD3835 Phase 3
0.5904 Remote Similarity NPD3833 Phase 3
0.5897 Remote Similarity NPD7770 Phase 3
0.5897 Remote Similarity NPD7133 Discontinued
0.5894 Remote Similarity NPD7127 Clinical (unspecified phase)
0.5892 Remote Similarity NPD3401 Clinical (unspecified phase)
0.5892 Remote Similarity NPD5595 Clinical (unspecified phase)
0.5888 Remote Similarity NPD8272 Phase 2
0.5888 Remote Similarity NPD754 Clinical (unspecified phase)
0.5885 Remote Similarity NPD6347 Phase 2
0.5885 Remote Similarity NPD704 Clinical (unspecified phase)
0.5873 Remote Similarity NPD7836 Clinical (unspecified phase)
0.5871 Remote Similarity NPD7104 Clinical (unspecified phase)
0.587 Remote Similarity NPD3834 Clinical (unspecified phase)
0.5867 Remote Similarity NPD6916 Clinical (unspecified phase)
0.5841 Remote Similarity NPD6324 Phase 1
0.5833 Remote Similarity NPD5439 Approved
0.5833 Remote Similarity NPD5438 Approved
0.5823 Remote Similarity NPD5435 Phase 1
0.582 Remote Similarity NPD6907 Phase 2
0.5816 Remote Similarity NPD7769 Phase 3
0.5812 Remote Similarity NPD1597 Phase 1
0.5806 Remote Similarity NPD4509 Discontinued
0.5799 Remote Similarity NPD3907 Clinical (unspecified phase)
0.5798 Remote Similarity NPD3328 Phase 2
0.5797 Remote Similarity NPD8063 Discontinued
0.5792 Remote Similarity NPD8464 Clinical (unspecified phase)
0.5782 Remote Similarity NPD1218 Approved
0.5782 Remote Similarity NPD1219 Approved
0.5782 Remote Similarity NPD7490 Discontinued
0.5775 Remote Similarity NPD4599 Clinical (unspecified phase)
0.5774 Remote Similarity NPD2543 Discontinued
0.5773 Remote Similarity NPD5452 Phase 2
0.5773 Remote Similarity NPD7494 Clinical (unspecified phase)
0.5772 Remote Similarity NPD5461 Discontinued
0.5765 Remote Similarity NPD6360 Discontinued
0.5764 Remote Similarity NPD8408 Discontinued
0.576 Remote Similarity NPD8322 Phase 2
0.5754 Remote Similarity NPD8061 Clinical (unspecified phase)
0.575 Remote Similarity NPD1260 Approved
0.5728 Remote Similarity NPD6137 Clinical (unspecified phase)
0.5722 Remote Similarity NPD4557 Approved
0.5721 Remote Similarity NPD5023 Discontinued
0.5714 Remote Similarity NPD5140 Approved
0.5714 Remote Similarity NPD7001 Phase 3
0.5714 Remote Similarity NPD7289 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5138 Approved
0.5714 Remote Similarity NPD5047 Clinical (unspecified phase)
0.57 Remote Similarity NPD2749 Discontinued
0.5699 Remote Similarity NPD6910 Phase 3
0.5694 Remote Similarity NPD5144 Discontinued
0.5694 Remote Similarity NPD8072 Approved
0.569 Remote Similarity NPD2389 Approved
0.5687 Remote Similarity NPD3396 Approved
0.5687 Remote Similarity NPD3395 Approved
0.5682 Remote Similarity NPD3843 Clinical (unspecified phase)
0.5678 Remote Similarity NPD2893 Phase 3
0.5676 Remote Similarity NPD4331 Approved
0.5674 Remote Similarity NPD1881 Approved
0.5673 Remote Similarity NPD2152 Clinical (unspecified phase)
0.5665 Remote Similarity NPD6368 Clinical (unspecified phase)
0.5664 Remote Similarity NPD8107 Approved
0.5664 Remote Similarity NPD6717 Clinical (unspecified phase)
0.5663 Remote Similarity NPD3487 Phase 1
0.5662 Remote Similarity NPD7981 Discontinued
0.5659 Remote Similarity NPD7928 Approved
0.5659 Remote Similarity NPD7929 Approved
0.5652 Remote Similarity NPD6170 Phase 2
0.565 Remote Similarity NPD3848 Phase 2
0.5647 Remote Similarity NPD8108 Approved
0.5646 Remote Similarity NPD3474 Discovery
0.5645 Remote Similarity NPD6119 Clinical (unspecified phase)
0.564 Remote Similarity NPD6751 Clinical (unspecified phase)
0.5639 Remote Similarity NPD6381 Phase 2
0.5635 Remote Similarity NPD8129 Discovery
0.5634 Remote Similarity NPD7021 Clinical (unspecified phase)
0.5632 Remote Similarity NPD9579 Approved
0.5631 Remote Similarity NPD7483 Phase 2
0.5631 Remote Similarity NPD7482 Phase 2
0.5625 Remote Similarity NPD5663 Discontinued
0.5625 Remote Similarity NPD5817 Discontinued
0.5622 Remote Similarity NPD6139 Clinical (unspecified phase)
0.5619 Remote Similarity NPD6911 Discontinued
0.5619 Remote Similarity NPD6455 Phase 3
0.5616 Remote Similarity NPD7834 Approved
0.5616 Remote Similarity NPD4415 Approved
0.5616 Remote Similarity NPD8122 Approved
0.5616 Remote Similarity NPD8123 Approved
0.5612 Remote Similarity NPD7738 Approved
0.5612 Remote Similarity NPD7737 Approved
0.5607 Remote Similarity NPD4470 Phase 2
0.5607 Remote Similarity NPD7946 Pre-registration
0.5606 Remote Similarity NPD4550 Clinical (unspecified phase)
0.5604 Remote Similarity NPD3279 Phase 2
0.5604 Remote Similarity NPD5323 Approved
0.5604 Remote Similarity NPD6227 Discontinued
0.56 Remote Similarity NPD5523 Approved
0.56 Remote Similarity NPD5524 Approved
0.56 Remote Similarity NPD1976 Approved

Structure

External Identifiers

PubChem CID   392480
ChEMBL   CHEMBL503588
ZINC  

Physicochemical Properties

Molecular Weight:  762.30
ALogP:  1.8292
MLogP:  3.77
XLogP:  6.47
# Rotatable Bonds:  16
Polar Surface Area:  255.8
# H-Bond Aceptor:  14
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  53

Download Data

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