Natural Product: NPC144474

Natural Product ID:  NPC144474
Common Name:   Sarcodictyin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H36N2O6
Standard InCHIKey:  VHZOZCRALQEBDG-BEMXCNERSA-N
Standard InCHI:  InChI=1S/C28H36N2O6/c1-17(2)20-9-7-18(3)21-14-24(35-25(31)10-8-19-15-30(5)16-29-19)27(4)11-12-28(33,36-27)23(13-22(20)21)26(32)34-6/h7-8,10-13,15-17,20-22,24,33H,9,14H2,1-6H3/b10-8+,23-13-/t20-,21+,22-,24+,27+,28-/m1/s1
Canonical SMILES:  COC(=O)/C/1=C/[C@H]2[C@@H](C[C@@H]([C@]3(O[C@]1(O)C=C3)C)OC(=O)/C=C/c1ncn(c1)C)C(=CC[C@@H]2C(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
NPO32836 bellonella albiflora Species Alcyoniidae Eukaryota PMID[12713406]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT309 Cell Line 1A9 Homo sapiens IC50 = 340 nM 11575945
NPT165 Cell Line HeLa Homo sapiens IC50 = 0.017 ug/ml 19845338
NPT309 Cell Line 1A9 Homo sapiens IC50 = 340 nM 26408453

  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 NPC144474 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 NPC133782
1.0 High Similarity NPC527
0.9643 High Similarity NPC101676
0.9045 High Similarity NPC300139
0.9045 High Similarity NPC233431
0.7286 Intermediate Similarity NPC54537
0.6718 Remote Similarity NPC473585
0.6667 Remote Similarity NPC477118
0.6633 Remote Similarity NPC477120
0.6615 Remote Similarity NPC477119
0.6583 Remote Similarity NPC265111
0.6368 Remote Similarity NPC124276
0.6286 Remote Similarity NPC243319
0.6199 Remote Similarity NPC12100
0.6193 Remote Similarity NPC242923
0.6158 Remote Similarity NPC472834
0.6154 Remote Similarity NPC201900
0.6071 Remote Similarity NPC308906
0.6019 Remote Similarity NPC157821
0.6018 Remote Similarity NPC2395
0.6 Remote Similarity NPC276373
0.5982 Remote Similarity NPC127677
0.5982 Remote Similarity NPC162812
0.5972 Remote Similarity NPC5802
0.5946 Remote Similarity NPC292517
0.5943 Remote Similarity NPC280638
0.5939 Remote Similarity NPC235885
0.5936 Remote Similarity NPC46225
0.5924 Remote Similarity NPC313504
0.5924 Remote Similarity NPC470139
0.5914 Remote Similarity NPC8590
0.5909 Remote Similarity NPC258062
0.5909 Remote Similarity NPC476516
0.5882 Remote Similarity NPC48042
0.5882 Remote Similarity NPC472550
0.5882 Remote Similarity NPC304179
0.5877 Remote Similarity NPC17305
0.5876 Remote Similarity NPC472833
0.5872 Remote Similarity NPC98715
0.587 Remote Similarity NPC150447
0.5867 Remote Similarity NPC18308
0.5867 Remote Similarity NPC30570
0.5867 Remote Similarity NPC472832
0.5864 Remote Similarity NPC225821
0.5857 Remote Similarity NPC209917
0.5848 Remote Similarity NPC282247
0.5848 Remote Similarity NPC54744
0.5841 Remote Similarity NPC238945
0.5837 Remote Similarity NPC63041
0.5833 Remote Similarity NPC477795
0.5833 Remote Similarity NPC477796
0.5833 Remote Similarity NPC477806
0.5833 Remote Similarity NPC477805
0.583 Remote Similarity NPC54981
0.5819 Remote Similarity NPC323244
0.5809 Remote Similarity NPC476517
0.5804 Remote Similarity NPC151976
0.5804 Remote Similarity NPC472553
0.5803 Remote Similarity NPC282531
0.5787 Remote Similarity NPC89987
0.578 Remote Similarity NPC300183
0.5771 Remote Similarity NPC477908
0.5771 Remote Similarity NPC206343
0.5761 Remote Similarity NPC470140
0.5758 Remote Similarity NPC57797
0.5758 Remote Similarity NPC76565
0.5758 Remote Similarity NPC250807
0.5752 Remote Similarity NPC319128
0.5752 Remote Similarity NPC228331
0.574 Remote Similarity NPC271862
0.5733 Remote Similarity NPC87856
0.5733 Remote Similarity NPC473850
0.5733 Remote Similarity NPC475498
0.5733 Remote Similarity NPC475137
0.5727 Remote Similarity NPC42678
0.5727 Remote Similarity NPC477907
0.5727 Remote Similarity NPC477910
0.5727 Remote Similarity NPC204491
0.5727 Remote Similarity NPC132211
0.5727 Remote Similarity NPC477909
0.5722 Remote Similarity NPC76544
0.5722 Remote Similarity NPC226184
0.5722 Remote Similarity NPC167285
0.5721 Remote Similarity NPC472555
0.5721 Remote Similarity NPC216428
0.5721 Remote Similarity NPC475835
0.572 Remote Similarity NPC328924
0.5714 Remote Similarity NPC280290
0.5708 Remote Similarity NPC473506
0.5708 Remote Similarity NPC267965
0.5695 Remote Similarity NPC71238
0.5684 Remote Similarity NPC476110
0.5684 Remote Similarity NPC328186
0.5684 Remote Similarity NPC228377
0.5684 Remote Similarity NPC122968
0.5684 Remote Similarity NPC477787
0.5684 Remote Similarity NPC475600
0.5684 Remote Similarity NPC87152
0.5684 Remote Similarity NPC146824
0.5684 Remote Similarity NPC475631
0.5683 Remote Similarity NPC264674
0.568 Remote Similarity NPC472436
0.5677 Remote Similarity NPC62367
0.5672 Remote Similarity NPC35208
0.5672 Remote Similarity NPC475426
0.5672 Remote Similarity NPC170751
0.567 Remote Similarity NPC472752
0.5665 Remote Similarity NPC477902
0.566 Remote Similarity NPC475362
0.566 Remote Similarity NPC471977
0.566 Remote Similarity NPC470486
0.566 Remote Similarity NPC328798
0.566 Remote Similarity NPC475644
0.566 Remote Similarity NPC471190
0.566 Remote Similarity NPC325775
0.5658 Remote Similarity NPC470306
0.5658 Remote Similarity NPC203614
0.5654 Remote Similarity NPC129909
0.5652 Remote Similarity NPC136924
0.5647 Remote Similarity NPC477911
0.5636 Remote Similarity NPC116622
0.5634 Remote Similarity NPC61435
0.5633 Remote Similarity NPC6981
0.5633 Remote Similarity NPC471014
0.5633 Remote Similarity NPC471016
0.5633 Remote Similarity NPC475408
0.5628 Remote Similarity NPC477901
0.5622 Remote Similarity NPC11445
0.5622 Remote Similarity NPC472435
0.562 Remote Similarity NPC37473
0.5617 Remote Similarity NPC124029
0.5617 Remote Similarity NPC57690
0.5612 Remote Similarity NPC316841
0.5612 Remote Similarity NPC473689
0.5612 Remote Similarity NPC160666
0.5612 Remote Similarity NPC475303
0.5612 Remote Similarity NPC292416
0.5612 Remote Similarity NPC475596
0.5612 Remote Similarity NPC477906
0.5609 Remote Similarity NPC144779
0.5609 Remote Similarity NPC294579
0.5607 Remote Similarity NPC327769
0.5605 Remote Similarity NPC238457
0.5603 Remote Similarity NPC477912
0.5602 Remote Similarity NPC192306

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC144474 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
0.6684 Remote Similarity NPD1233 Suspended
0.6604 Remote Similarity NPD5072 Discontinued
0.6599 Remote Similarity NPD1641 Discontinued
0.6526 Remote Similarity NPD7465 Suspended
0.6498 Remote Similarity NPD2813 Phase 3
0.6498 Remote Similarity NPD2812 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6619 Phase 3
0.6438 Remote Similarity NPD8105 Discontinued
0.6436 Remote Similarity NPD3002 Clinical (unspecified phase)
0.6409 Remote Similarity NPD5827 Discontinued
0.6351 Remote Similarity NPD6718 Discontinued
0.6347 Remote Similarity NPD5524 Approved
0.6347 Remote Similarity NPD5523 Approved
0.6337 Remote Similarity NPD1308 Approved
0.6325 Remote Similarity NPD8375 Approved
0.6319 Remote Similarity NPD568 Approved
0.6319 Remote Similarity NPD566 Approved
0.6319 Remote Similarity NPD567 Approved
0.6286 Remote Similarity NPD9081 Clinical (unspecified phase)
0.6286 Remote Similarity NPD5665 Clinical (unspecified phase)
0.6271 Remote Similarity NPD8371 Clinical (unspecified phase)
0.6255 Remote Similarity NPD8291 Clinical (unspecified phase)
0.6215 Remote Similarity NPD7103 Approved
0.6201 Remote Similarity NPD8119 Discontinued
0.6199 Remote Similarity NPD7471 Discontinued
0.6172 Remote Similarity NPD8641 Approved
0.6154 Remote Similarity NPD4950 Approved
0.615 Remote Similarity NPD8629 Discontinued
0.6131 Remote Similarity NPD1037 Clinical (unspecified phase)
0.6126 Remote Similarity NPD8271 Discontinued
0.6117 Remote Similarity NPD962 Phase 3
0.6094 Remote Similarity NPD8409 Suspended
0.6091 Remote Similarity NPD7182 Clinical (unspecified phase)
0.6089 Remote Similarity NPD3432 Approved
0.6071 Remote Similarity NPD4555 Clinical (unspecified phase)
0.6066 Remote Similarity NPD875 Clinical (unspecified phase)
0.6043 Remote Similarity NPD6708 Discontinued
0.6041 Remote Similarity NPD2786 Discontinued
0.604 Remote Similarity NPD1272 Clinical (unspecified phase)
0.601 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6009 Remote Similarity NPD6142 Phase 3
0.6008 Remote Similarity NPD7197 Approved
0.6 Remote Similarity NPD7398 Approved
0.6 Remote Similarity NPD7397 Approved
0.5991 Remote Similarity NPD7276 Approved
0.5991 Remote Similarity NPD7277 Approved
0.5982 Remote Similarity NPD7980 Clinical (unspecified phase)
0.5952 Remote Similarity NPD7689 Approved
0.5951 Remote Similarity NPD963 Discontinued
0.5948 Remote Similarity NPD8004 Discontinued
0.5935 Remote Similarity NPD722 Clinical (unspecified phase)
0.5924 Remote Similarity NPD996 Phase 2
0.5924 Remote Similarity NPD7857 Phase 3
0.5924 Remote Similarity NPD7856 Phase 2
0.5924 Remote Similarity NPD994 Phase 2
0.5917 Remote Similarity NPD7486 Phase 1
0.5913 Remote Similarity NPD5887 Clinical (unspecified phase)
0.5909 Remote Similarity NPD7850 Discontinued
0.5909 Remote Similarity NPD4612 Discontinued
0.5909 Remote Similarity NPD7851 Phase 1
0.5901 Remote Similarity NPD6763 Discontinued
0.5891 Remote Similarity NPD966 Clinical (unspecified phase)
0.589 Remote Similarity NPD7323 Phase 2
0.5877 Remote Similarity NPD459 Clinical (unspecified phase)
0.5876 Remote Similarity NPD3906 Approved
0.5869 Remote Similarity NPD8113 Phase 2
0.5864 Remote Similarity NPD8410 Clinical (unspecified phase)
0.5862 Remote Similarity NPD7767 Approved
0.5857 Remote Similarity NPD7233 Approved
0.5857 Remote Similarity NPD7234 Approved
0.5851 Remote Similarity NPD6460 Clinical (unspecified phase)
0.5845 Remote Similarity NPD7270 Phase 2
0.5842 Remote Similarity NPD3347 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6856 Discontinued
0.583 Remote Similarity NPD949 Phase 1
0.5826 Remote Similarity NPD6849 Phase 2
0.5826 Remote Similarity NPD6850 Phase 2
0.5819 Remote Similarity NPD7694 Discontinued
0.5819 Remote Similarity NPD8292 Phase 2
0.5808 Remote Similarity NPD6381 Phase 2
0.58 Remote Similarity NPD5461 Discontinued
0.5798 Remote Similarity NPD4938 Phase 2
0.5797 Remote Similarity NPD2523 Phase 2
0.5797 Remote Similarity NPD2526 Phase 2
0.5792 Remote Similarity NPD7834 Approved
0.5789 Remote Similarity NPD8373 Clinical (unspecified phase)
0.5785 Remote Similarity NPD8468 Phase 2
0.5785 Remote Similarity NPD4990 Clinical (unspecified phase)
0.5783 Remote Similarity NPD7923 Phase 2
0.5783 Remote Similarity NPD6036 Suspended
0.5776 Remote Similarity NPD8075 Discontinued
0.5773 Remote Similarity NPD2965 Clinical (unspecified phase)
0.5771 Remote Similarity NPD8258 Clinical (unspecified phase)
0.5771 Remote Similarity NPD8257 Approved
0.5771 Remote Similarity NPD8256 Approved
0.5766 Remote Similarity NPD7776 Approved
0.5766 Remote Similarity NPD7981 Discontinued
0.5762 Remote Similarity NPD5684 Clinical (unspecified phase)
0.5762 Remote Similarity NPD5683 Clinical (unspecified phase)
0.5762 Remote Similarity NPD5682 Phase 3
0.5753 Remote Similarity NPD2879 Approved
0.5753 Remote Similarity NPD3497 Clinical (unspecified phase)
0.5753 Remote Similarity NPD2881 Approved
0.5753 Remote Similarity NPD5721 Clinical (unspecified phase)
0.5751 Remote Similarity NPD7161 Clinical (unspecified phase)
0.5751 Remote Similarity NPD7842 Phase 2
0.5746 Remote Similarity NPD1623 Approved
0.5741 Remote Similarity NPD6206 Phase 1
0.5741 Remote Similarity NPD4953 Phase 3
0.5738 Remote Similarity NPD6970 Phase 2
0.5736 Remote Similarity NPD1274 Clinical (unspecified phase)
0.5727 Remote Similarity NPD2412 Clinical (unspecified phase)
0.5726 Remote Similarity NPD5821 Approved
0.5722 Remote Similarity NPD536 Clinical (unspecified phase)
0.5721 Remote Similarity NPD3839 Phase 2
0.5721 Remote Similarity NPD3840 Phase 2
0.5708 Remote Similarity NPD5679 Clinical (unspecified phase)
0.5708 Remote Similarity NPD6992 Phase 2
0.5708 Remote Similarity NPD7557 Clinical (unspecified phase)
0.5708 Remote Similarity NPD4334 Discontinued
0.5702 Remote Similarity NPD8325 Phase 3
0.5702 Remote Similarity NPD5080 Phase 2
0.5702 Remote Similarity NPD6218 Discontinued
0.5702 Remote Similarity NPD8327 Clinical (unspecified phase)
0.5702 Remote Similarity NPD8326 Phase 3
0.5701 Remote Similarity NPD5425 Phase 1
0.5695 Remote Similarity NPD7947 Clinical (unspecified phase)
0.5694 Remote Similarity NPD7061 Clinical (unspecified phase)
0.5692 Remote Similarity NPD1027 Approved
0.5692 Remote Similarity NPD1030 Approved
0.5692 Remote Similarity NPD1029 Clinical (unspecified phase)
0.5692 Remote Similarity NPD8287 Phase 1
0.5692 Remote Similarity NPD8288 Phase 2
0.5691 Remote Similarity NPD1430 Approved
0.5691 Remote Similarity NPD1431 Approved
0.5685 Remote Similarity NPD3697 Discontinued
0.5685 Remote Similarity NPD8442 Discontinued
0.5685 Remote Similarity NPD3405 Phase 3
0.5682 Remote Similarity NPD2807 Discontinued
0.5674 Remote Similarity NPD460 Discontinued
0.5674 Remote Similarity NPD3485 Clinical (unspecified phase)
0.5673 Remote Similarity NPD4896 Clinical (unspecified phase)
0.5672 Remote Similarity NPD8159 Discontinued
0.5667 Remote Similarity NPD5107 Clinical (unspecified phase)
0.5663 Remote Similarity NPD8049 Phase 2
0.5661 Remote Similarity NPD8412 Phase 1
0.5661 Remote Similarity NPD7860 Clinical (unspecified phase)
0.566 Remote Similarity NPD7887 Approved
0.566 Remote Similarity NPD7888 Approved
0.5658 Remote Similarity NPD5079 Phase 2
0.5654 Remote Similarity NPD3785 Clinical (unspecified phase)
0.565 Remote Similarity NPD1197 Approved
0.565 Remote Similarity NPD3905 Phase 3
0.5648 Remote Similarity NPD4427 Phase 2
0.5647 Remote Similarity NPD5907 Phase 3
0.5644 Remote Similarity NPD8261 Discontinued
0.5633 Remote Similarity NPD7996 Phase 2
0.563 Remote Similarity NPD7273 Clinical (unspecified phase)
0.563 Remote Similarity NPD6223 Clinical (unspecified phase)
0.5622 Remote Similarity NPD4070 Clinical (unspecified phase)
0.562 Remote Similarity NPD6715 Discontinued
0.5617 Remote Similarity NPD6164 Phase 2
0.5617 Remote Similarity NPD6165 Phase 2
0.5613 Remote Similarity NPD6721 Phase 1
0.5612 Remote Similarity NPD8316 Phase 2
0.5612 Remote Similarity NPD8317 Phase 2
0.5611 Remote Similarity NPD5486 Discontinued
0.5609 Remote Similarity NPD5533 Discontinued
0.5607 Remote Similarity NPD3870 Clinical (unspecified phase)
0.5607 Remote Similarity NPD3871 Clinical (unspecified phase)
0.5605 Remote Similarity NPD2876 Phase 3
0.5605 Remote Similarity NPD6732 Clinical (unspecified phase)
0.5605 Remote Similarity NPD2877 Clinical (unspecified phase)
0.5605 Remote Similarity NPD2008 Discontinued
0.5604 Remote Similarity NPD8421 Discontinued
0.5602 Remote Similarity NPD5176 Approved
0.5602 Remote Similarity NPD38 Approved
0.56 Remote Similarity NPD6545 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5478977
ChEMBL   CHEMBL370543
ZINC  

Physicochemical Properties

Molecular Weight:  496.26
ALogP:  2.0769
MLogP:  3.66
XLogP:  4.917
# Rotatable Bonds:  14
Polar Surface Area:  99.88
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  36

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs