Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO31745 | Streptomyces scsio 03032 | Species | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | > | 100000 | nM | 24547685 |
NPT395 | Cell Line | SF-268 | Homo sapiens | IC50 | > | 100000 | nM | 24547685 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 100000 | nM | 24547685 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | > | 128 | ug/ml | 24547685 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | > | 128 | ug/ml | 24547685 |
NPT1261 | Organism | Bacillus thuringiensis | Bacillus thuringiensis | MIC | > | 128 | ug/ml | 24547685 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 128 | ug/ml | 24547685 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 128 | ug/ml | 24547685 |
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 NPC314550 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 |
---|---|---|
0.7358 | Intermediate Similarity | NPC324506 |
0.7193 | Intermediate Similarity | NPC188785 |
0.7043 | Intermediate Similarity | NPC77703 |
0.7034 | Intermediate Similarity | NPC271562 |
0.696 | Remote Similarity | NPC470788 |
0.6916 | Remote Similarity | NPC475975 |
0.6838 | Remote Similarity | NPC475598 |
0.6838 | Remote Similarity | NPC9687 |
0.6838 | Remote Similarity | NPC474855 |
0.6838 | Remote Similarity | NPC293377 |
0.6838 | Remote Similarity | NPC273907 |
0.6838 | Remote Similarity | NPC76785 |
0.6838 | Remote Similarity | NPC151706 |
0.6838 | Remote Similarity | NPC475318 |
0.6838 | Remote Similarity | NPC49577 |
0.6838 | Remote Similarity | NPC260045 |
0.6838 | Remote Similarity | NPC79465 |
0.6838 | Remote Similarity | NPC474787 |
0.6838 | Remote Similarity | NPC118099 |
0.6838 | Remote Similarity | NPC476102 |
0.6838 | Remote Similarity | NPC90194 |
0.6838 | Remote Similarity | NPC474811 |
0.6833 | Remote Similarity | NPC476276 |
0.6767 | Remote Similarity | NPC120335 |
0.6746 | Remote Similarity | NPC235625 |
0.6718 | Remote Similarity | NPC476951 |
0.6694 | Remote Similarity | NPC207820 |
0.6694 | Remote Similarity | NPC474099 |
0.6692 | Remote Similarity | NPC97580 |
0.6667 | Remote Similarity | NPC476328 |
0.664 | Remote Similarity | NPC272166 |
0.6639 | Remote Similarity | NPC474827 |
0.6639 | Remote Similarity | NPC68001 |
0.6639 | Remote Similarity | NPC199831 |
0.6639 | Remote Similarity | NPC474828 |
0.6617 | Remote Similarity | NPC470539 |
0.6614 | Remote Similarity | NPC17581 |
0.6614 | Remote Similarity | NPC476155 |
0.6591 | Remote Similarity | NPC247902 |
0.6591 | Remote Similarity | NPC262880 |
0.6589 | Remote Similarity | NPC315188 |
0.6587 | Remote Similarity | NPC66007 |
0.6567 | Remote Similarity | NPC41162 |
0.6549 | Remote Similarity | NPC276822 |
0.6515 | Remote Similarity | NPC309525 |
0.6512 | Remote Similarity | NPC11379 |
0.65 | Remote Similarity | NPC476877 |
0.6481 | Remote Similarity | NPC226982 |
0.6481 | Remote Similarity | NPC277341 |
0.6466 | Remote Similarity | NPC469739 |
0.6452 | Remote Similarity | NPC251122 |
0.6452 | Remote Similarity | NPC469603 |
0.6423 | Remote Similarity | NPC140251 |
0.6423 | Remote Similarity | NPC307903 |
0.6417 | Remote Similarity | NPC474244 |
0.64 | Remote Similarity | NPC58281 |
0.6393 | Remote Similarity | NPC476876 |
0.6385 | Remote Similarity | NPC477143 |
0.6385 | Remote Similarity | NPC477140 |
0.6376 | Remote Similarity | NPC475342 |
0.6357 | Remote Similarity | NPC470300 |
0.6356 | Remote Similarity | NPC52820 |
0.6351 | Remote Similarity | NPC315809 |
0.6351 | Remote Similarity | NPC314050 |
0.6336 | Remote Similarity | NPC23963 |
0.6328 | Remote Similarity | NPC288629 |
0.6324 | Remote Similarity | NPC477988 |
0.632 | Remote Similarity | NPC63511 |
0.632 | Remote Similarity | NPC473232 |
0.6316 | Remote Similarity | NPC36254 |
0.6311 | Remote Similarity | NPC64168 |
0.6299 | Remote Similarity | NPC130124 |
0.6299 | Remote Similarity | NPC193471 |
0.6288 | Remote Similarity | NPC273185 |
0.6231 | Remote Similarity | NPC476952 |
0.6231 | Remote Similarity | NPC201889 |
0.6231 | Remote Similarity | NPC106791 |
0.623 | Remote Similarity | NPC279833 |
0.623 | Remote Similarity | NPC6271 |
0.623 | Remote Similarity | NPC265094 |
0.623 | Remote Similarity | NPC173690 |
0.623 | Remote Similarity | NPC80439 |
0.6228 | Remote Similarity | NPC316186 |
0.622 | Remote Similarity | NPC476269 |
0.6218 | Remote Similarity | NPC476344 |
0.6202 | Remote Similarity | NPC30196 |
0.6194 | Remote Similarity | NPC313342 |
0.6194 | Remote Similarity | NPC313333 |
0.6194 | Remote Similarity | NPC314512 |
0.6194 | Remote Similarity | NPC314451 |
0.6186 | Remote Similarity | NPC150041 |
0.6186 | Remote Similarity | NPC40663 |
0.6179 | Remote Similarity | NPC469604 |
0.6154 | Remote Similarity | NPC6531 |
0.6154 | Remote Similarity | NPC315848 |
0.6154 | Remote Similarity | NPC315210 |
0.6148 | Remote Similarity | NPC474371 |
0.6148 | Remote Similarity | NPC473289 |
0.6143 | Remote Similarity | NPC99864 |
0.6142 | Remote Similarity | NPC476875 |
0.6142 | Remote Similarity | NPC168758 |
0.6142 | Remote Similarity | NPC181510 |
0.6142 | Remote Similarity | NPC316984 |
0.6142 | Remote Similarity | NPC30911 |
0.6142 | Remote Similarity | NPC47857 |
0.6138 | Remote Similarity | NPC251439 |
0.6136 | Remote Similarity | NPC88190 |
0.6136 | Remote Similarity | NPC230849 |
0.6121 | Remote Similarity | NPC17143 |
0.6121 | Remote Similarity | NPC47230 |
0.6121 | Remote Similarity | NPC476019 |
0.6107 | Remote Similarity | NPC284656 |
0.6099 | Remote Similarity | NPC287401 |
0.6098 | Remote Similarity | NPC474563 |
0.6096 | Remote Similarity | NPC476978 |
0.6094 | Remote Similarity | NPC261750 |
0.6094 | Remote Similarity | NPC60432 |
0.6094 | Remote Similarity | NPC1111 |
0.609 | Remote Similarity | NPC160688 |
0.6087 | Remote Similarity | NPC322966 |
0.608 | Remote Similarity | NPC475800 |
0.6071 | Remote Similarity | NPC120420 |
0.6068 | Remote Similarity | NPC314500 |
0.6063 | Remote Similarity | NPC476290 |
0.6056 | Remote Similarity | NPC45813 |
0.6054 | Remote Similarity | NPC315266 |
0.6053 | Remote Similarity | NPC322672 |
0.6048 | Remote Similarity | NPC133420 |
0.6031 | Remote Similarity | NPC476190 |
0.6031 | Remote Similarity | NPC475642 |
0.6029 | Remote Similarity | NPC477987 |
0.6029 | Remote Similarity | NPC329401 |
0.6014 | Remote Similarity | NPC262077 |
0.6 | Remote Similarity | NPC323168 |
0.6 | Remote Similarity | NPC103391 |
0.6 | Remote Similarity | NPC471768 |
0.6 | Remote Similarity | NPC473525 |
0.6 | Remote Similarity | NPC314629 |
0.6 | Remote Similarity | NPC477990 |
0.6 | Remote Similarity | NPC111162 |
0.6 | Remote Similarity | NPC293550 |
0.6 | Remote Similarity | NPC472536 |
0.6 | Remote Similarity | NPC477989 |
0.5985 | Remote Similarity | NPC314282 |
0.5985 | Remote Similarity | NPC471673 |
0.5985 | Remote Similarity | NPC471109 |
0.5985 | Remote Similarity | NPC174463 |
0.5984 | Remote Similarity | NPC474725 |
0.5984 | Remote Similarity | NPC316730 |
0.5984 | Remote Similarity | NPC26597 |
0.5969 | Remote Similarity | NPC478024 |
0.5968 | Remote Similarity | NPC471260 |
0.5966 | Remote Similarity | NPC473162 |
0.5966 | Remote Similarity | NPC313265 |
0.5965 | Remote Similarity | NPC319913 |
0.5959 | Remote Similarity | NPC309450 |
0.5959 | Remote Similarity | NPC304299 |
0.5959 | Remote Similarity | NPC247776 |
0.5959 | Remote Similarity | NPC475278 |
0.5959 | Remote Similarity | NPC475266 |
0.5959 | Remote Similarity | NPC71866 |
0.5957 | Remote Similarity | NPC130309 |
0.5956 | Remote Similarity | NPC470654 |
0.5956 | Remote Similarity | NPC470653 |
0.5956 | Remote Similarity | NPC470650 |
0.5956 | Remote Similarity | NPC469999 |
0.5954 | Remote Similarity | NPC296043 |
0.5952 | Remote Similarity | NPC251330 |
0.5952 | Remote Similarity | NPC176773 |
0.5946 | Remote Similarity | NPC476560 |
0.594 | Remote Similarity | NPC35037 |
0.5933 | Remote Similarity | NPC240848 |
0.5929 | Remote Similarity | NPC477220 |
0.5926 | Remote Similarity | NPC200964 |
0.5923 | Remote Similarity | NPC469597 |
0.5921 | Remote Similarity | NPC162104 |
0.5918 | Remote Similarity | NPC77905 |
0.5912 | Remote Similarity | NPC474082 |
0.5912 | Remote Similarity | NPC6975 |
0.5912 | Remote Similarity | NPC175726 |
0.5909 | Remote Similarity | NPC473446 |
0.5909 | Remote Similarity | NPC329216 |
0.5909 | Remote Similarity | NPC473695 |
0.5906 | Remote Similarity | NPC70235 |
0.5906 | Remote Similarity | NPC470072 |
0.5906 | Remote Similarity | NPC314358 |
0.5891 | Remote Similarity | NPC21713 |
0.5891 | Remote Similarity | NPC474411 |
0.5891 | Remote Similarity | NPC474431 |
0.5891 | Remote Similarity | NPC475608 |
0.5887 | Remote Similarity | NPC200589 |
0.5887 | Remote Similarity | NPC133089 |
0.5887 | Remote Similarity | NPC475149 |
0.5887 | Remote Similarity | NPC471097 |
0.5882 | Remote Similarity | NPC66855 |
0.5878 | Remote Similarity | NPC52748 |
0.5873 | Remote Similarity | NPC271269 |
0.5873 | Remote Similarity | NPC471259 |
0.5873 | Remote Similarity | NPC472615 |
0.5873 | Remote Similarity | NPC154601 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC314550 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 |
---|---|---|---|
0.6667 | Remote Similarity | NPD7333 | Discontinued |
0.664 | Remote Similarity | NPD1000 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD8273 | Phase 1 |
0.6231 | Remote Similarity | NPD7641 | Discontinued |
0.6194 | Remote Similarity | NPD8341 | Approved |
0.6194 | Remote Similarity | NPD8299 | Approved |
0.6194 | Remote Similarity | NPD8342 | Approved |
0.6194 | Remote Similarity | NPD8340 | Approved |
0.6143 | Remote Similarity | NPD8415 | Approved |
0.6142 | Remote Similarity | NPD2204 | Approved |
0.6099 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.6084 | Remote Similarity | NPD8173 | Phase 2 |
0.6084 | Remote Similarity | NPD8172 | Phase 2 |
0.6047 | Remote Similarity | NPD1376 | Discontinued |
0.6029 | Remote Similarity | NPD8451 | Approved |
0.5985 | Remote Similarity | NPD8448 | Approved |
0.5942 | Remote Similarity | NPD6792 | Phase 3 |
0.5938 | Remote Similarity | NPD6420 | Discontinued |
0.5935 | Remote Similarity | NPD7118 | Clinical (unspecified phase) |
0.5929 | Remote Similarity | NPD3661 | Approved |
0.5929 | Remote Similarity | NPD3664 | Approved |
0.5929 | Remote Similarity | NPD3662 | Phase 3 |
0.5929 | Remote Similarity | NPD3663 | Approved |
0.5926 | Remote Similarity | NPD7624 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD7623 | Phase 3 |
0.5915 | Remote Similarity | NPD4619 | Approved |
0.5915 | Remote Similarity | NPD4621 | Approved |
0.5912 | Remote Similarity | NPD3677 | Clinical (unspecified phase) |
0.5896 | Remote Similarity | NPD7299 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD7747 | Phase 1 |
0.587 | Remote Similarity | NPD7746 | Phase 1 |
0.5857 | Remote Similarity | NPD8390 | Approved |
0.5857 | Remote Similarity | NPD8392 | Approved |
0.5857 | Remote Similarity | NPD8391 | Approved |
0.5852 | Remote Similarity | NPD7739 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD6311 | Approved |
0.5833 | Remote Similarity | NPD6309 | Approved |
0.5833 | Remote Similarity | NPD6310 | Approved |
0.58 | Remote Similarity | NPD6676 | Phase 2 |
0.5797 | Remote Similarity | NPD2584 | Suspended |
0.5789 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5786 | Remote Similarity | NPD2628 | Approved |
0.5786 | Remote Similarity | NPD2160 | Approved |
0.5786 | Remote Similarity | NPD2627 | Approved |
0.5786 | Remote Similarity | NPD2626 | Approved |
0.5786 | Remote Similarity | NPD2625 | Approved |
0.5786 | Remote Similarity | NPD2159 | Approved |
0.5775 | Remote Similarity | NPD2613 | Approved |
0.5769 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.5766 | Remote Similarity | NPD7642 | Approved |
0.5764 | Remote Similarity | NPD7086 | Phase 2 |
0.575 | Remote Similarity | NPD5779 | Approved |
0.575 | Remote Similarity | NPD5778 | Approved |
0.5738 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5725 | Remote Similarity | NPD2610 | Approved |
0.5725 | Remote Similarity | NPD2611 | Approved |
0.5725 | Remote Similarity | NPD4216 | Approved |
0.5725 | Remote Similarity | NPD2608 | Approved |
0.5725 | Remote Similarity | NPD4215 | Approved |
0.5725 | Remote Similarity | NPD3132 | Approved |
0.5725 | Remote Similarity | NPD2612 | Approved |
0.5725 | Remote Similarity | NPD3131 | Approved |
0.5725 | Remote Similarity | NPD2609 | Approved |
0.5725 | Remote Similarity | NPD4217 | Approved |
0.5725 | Remote Similarity | NPD4218 | Approved |
0.5724 | Remote Similarity | NPD8416 | Discontinued |
0.5714 | Remote Similarity | NPD7613 | Discontinued |
0.5704 | Remote Similarity | NPD3159 | Discontinued |
0.5704 | Remote Similarity | NPD5759 | Approved |
0.5704 | Remote Similarity | NPD5204 | Approved |
0.5695 | Remote Similarity | NPD2575 | Approved |
0.5685 | Remote Similarity | NPD7113 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD8384 | Approved |
0.5667 | Remote Similarity | NPD7983 | Approved |
0.5655 | Remote Similarity | NPD3615 | Approved |
0.5655 | Remote Similarity | NPD2574 | Discontinued |
0.5655 | Remote Similarity | NPD2572 | Clinical (unspecified phase) |
0.5655 | Remote Similarity | NPD3614 | Approved |
0.5655 | Remote Similarity | NPD3088 | Approved |
0.5655 | Remote Similarity | NPD4746 | Phase 3 |
0.5655 | Remote Similarity | NPD3087 | Approved |
0.5655 | Remote Similarity | NPD2571 | Approved |
0.5655 | Remote Similarity | NPD2570 | Approved |
0.5655 | Remote Similarity | NPD3616 | Approved |
0.5655 | Remote Similarity | NPD2566 | Approved |
0.5655 | Remote Similarity | NPD4745 | Approved |
0.5655 | Remote Similarity | NPD2573 | Approved |
0.5655 | Remote Similarity | NPD3089 | Approved |
0.5655 | Remote Similarity | NPD3090 | Approved |
0.5652 | Remote Similarity | NPD5362 | Discontinued |
0.5646 | Remote Similarity | NPD5725 | Approved |
0.5638 | Remote Similarity | NPD7512 | Approved |
0.5638 | Remote Similarity | NPD7511 | Approved |
0.5625 | Remote Similarity | NPD4497 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD4794 | Discontinued |
0.562 | Remote Similarity | NPD8444 | Approved |
0.562 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.562 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD7839 | Suspended |
PubChem CID   | |
ChEMBL   | CHEMBL3109454 |
ZINC   |
Molecular Weight:   | 437.26 |
ALogP:   | 1.5914 |
MLogP:   | 3.88 |
XLogP:   | 2.558 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 81 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 3 |
# Rings:   | 4 |
# Heavy Atoms:   | 32 |