Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO33616 | Coscinoderma sp. | Species | Spongiidae | Eukaryota | at a depth of 15 m off the coast of Weno Island, Chuuk state, Federated States of Micronesia | 2010-FEB |
PMID[24828374] |
|
NPO33616 | Coscinoderma sp. | Species | Spongiidae | Eukaryota | at a depth of 15 m off the coast of Weno Island, Chuuk state, Micronesia | 2010-FEB |
PMID[24828374] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | LC50 | = | 1.9 | ug/ml | 24828374 |
NPT111 | Cell Line | K562 | Homo sapiens | LC50 | = | 3.9 | ug/ml | 24828374 |
NPT2 | Others | Unspecified | MIC | = | 27 | ug/ml | 24828374 | |
NPT2 | Others | Unspecified | MIC | = | 64 | ug/ml | 24828374 | |
NPT1190 | Organism | Salmonella enterica | Salmonella enterica | MIC | = | 100 | ug/ml | 24828374 |
NPT2 | Others | Unspecified | IC50 | > | 100000 | nM | 24828374 | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 100 | ug/ml | 24828374 |
NPT3145 | Organism | Bacillus subtilis subsp. spizizenii ATCC 6633 | Bacillus subtilis subsp. spizizenii ATCC 6633 | MIC | > | 100 | ug/ml | 24828374 |
NPT3147 | Organism | Kocuria rhizophila | Kocuria rhizophila | MIC | > | 100 | ug/ml | 24828374 |
NPT2 | Others | Unspecified | MIC | > | 100 | ug/ml | 24828374 | |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 100 | ug/ml | 24828374 |
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 NPC476921 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 |
---|---|---|
0.95 | High Similarity | NPC476918 |
0.93 | High Similarity | NPC476926 |
0.8 | Intermediate Similarity | NPC476922 |
0.7905 | Intermediate Similarity | NPC477964 |
0.789 | Intermediate Similarity | NPC476920 |
0.7568 | Intermediate Similarity | NPC476276 |
0.7568 | Intermediate Similarity | NPC476919 |
0.7545 | Intermediate Similarity | NPC476328 |
0.7255 | Intermediate Similarity | NPC157479 |
0.7157 | Intermediate Similarity | NPC147513 |
0.7143 | Intermediate Similarity | NPC17143 |
0.7143 | Intermediate Similarity | NPC47230 |
0.6917 | Remote Similarity | NPC477121 |
0.6875 | Remote Similarity | NPC77703 |
0.6863 | Remote Similarity | NPC215474 |
0.68 | Remote Similarity | NPC321197 |
0.6765 | Remote Similarity | NPC90150 |
0.675 | Remote Similarity | NPC145501 |
0.6695 | Remote Similarity | NPC63511 |
0.6638 | Remote Similarity | NPC185929 |
0.6636 | Remote Similarity | NPC324405 |
0.6579 | Remote Similarity | NPC474001 |
0.6545 | Remote Similarity | NPC93027 |
0.6509 | Remote Similarity | NPC311769 |
0.6509 | Remote Similarity | NPC182106 |
0.6415 | Remote Similarity | NPC318515 |
0.641 | Remote Similarity | NPC469604 |
0.6393 | Remote Similarity | NPC469597 |
0.6387 | Remote Similarity | NPC24596 |
0.6379 | Remote Similarity | NPC474244 |
0.6364 | Remote Similarity | NPC474411 |
0.6364 | Remote Similarity | NPC474431 |
0.6348 | Remote Similarity | NPC26597 |
0.633 | Remote Similarity | NPC259252 |
0.632 | Remote Similarity | NPC474006 |
0.6281 | Remote Similarity | NPC469603 |
0.6271 | Remote Similarity | NPC470596 |
0.625 | Remote Similarity | NPC474099 |
0.6239 | Remote Similarity | NPC43308 |
0.6218 | Remote Similarity | NPC86906 |
0.6198 | Remote Similarity | NPC218602 |
0.6195 | Remote Similarity | NPC476754 |
0.6179 | Remote Similarity | NPC80834 |
0.6179 | Remote Similarity | NPC469968 |
0.6174 | Remote Similarity | NPC184033 |
0.6168 | Remote Similarity | NPC477124 |
0.6154 | Remote Similarity | NPC188785 |
0.6154 | Remote Similarity | NPC39473 |
0.6147 | Remote Similarity | NPC322672 |
0.6121 | Remote Similarity | NPC140685 |
0.6116 | Remote Similarity | NPC470595 |
0.6102 | Remote Similarity | NPC226509 |
0.6102 | Remote Similarity | NPC152718 |
0.6091 | Remote Similarity | NPC473525 |
0.6087 | Remote Similarity | NPC325960 |
0.6087 | Remote Similarity | NPC319692 |
0.6083 | Remote Similarity | NPC195841 |
0.6083 | Remote Similarity | NPC233256 |
0.608 | Remote Similarity | NPC176336 |
0.6055 | Remote Similarity | NPC75810 |
0.6055 | Remote Similarity | NPC319913 |
0.6053 | Remote Similarity | NPC324078 |
0.6048 | Remote Similarity | NPC474452 |
0.604 | Remote Similarity | NPC265789 |
0.6034 | Remote Similarity | NPC52820 |
0.6017 | Remote Similarity | NPC34193 |
0.6016 | Remote Similarity | NPC472313 |
0.6 | Remote Similarity | NPC475239 |
0.6 | Remote Similarity | NPC478137 |
0.6 | Remote Similarity | NPC119329 |
0.6 | Remote Similarity | NPC469958 |
0.5968 | Remote Similarity | NPC79238 |
0.5968 | Remote Similarity | NPC474459 |
0.5966 | Remote Similarity | NPC58200 |
0.5965 | Remote Similarity | NPC476753 |
0.5965 | Remote Similarity | NPC476752 |
0.5965 | Remote Similarity | NPC247316 |
0.5948 | Remote Similarity | NPC247220 |
0.5948 | Remote Similarity | NPC476903 |
0.5926 | Remote Similarity | NPC473810 |
0.5917 | Remote Similarity | NPC68001 |
0.5917 | Remote Similarity | NPC199831 |
0.5917 | Remote Similarity | NPC474828 |
0.5917 | Remote Similarity | NPC474827 |
0.5897 | Remote Similarity | NPC140300 |
0.5882 | Remote Similarity | NPC21773 |
0.5878 | Remote Similarity | NPC472458 |
0.5856 | Remote Similarity | NPC166458 |
0.584 | Remote Similarity | NPC143173 |
0.5833 | Remote Similarity | NPC50815 |
0.5833 | Remote Similarity | NPC476755 |
0.5833 | Remote Similarity | NPC247060 |
0.5825 | Remote Similarity | NPC144947 |
0.582 | Remote Similarity | NPC258130 |
0.582 | Remote Similarity | NPC55462 |
0.582 | Remote Similarity | NPC230677 |
0.5812 | Remote Similarity | NPC289140 |
0.581 | Remote Similarity | NPC7214 |
0.5804 | Remote Similarity | NPC324506 |
0.5802 | Remote Similarity | NPC242692 |
0.5798 | Remote Similarity | NPC128698 |
0.5798 | Remote Similarity | NPC239768 |
0.5794 | Remote Similarity | NPC211322 |
0.5789 | Remote Similarity | NPC53240 |
0.5789 | Remote Similarity | NPC473056 |
0.5789 | Remote Similarity | NPC84171 |
0.5784 | Remote Similarity | NPC473442 |
0.5784 | Remote Similarity | NPC120167 |
0.5781 | Remote Similarity | NPC246904 |
0.578 | Remote Similarity | NPC142683 |
0.5776 | Remote Similarity | NPC477290 |
0.5772 | Remote Similarity | NPC25340 |
0.5769 | Remote Similarity | NPC168975 |
0.5769 | Remote Similarity | NPC75485 |
0.5769 | Remote Similarity | NPC476904 |
0.5766 | Remote Similarity | NPC34811 |
0.5766 | Remote Similarity | NPC152684 |
0.5766 | Remote Similarity | NPC474013 |
0.5766 | Remote Similarity | NPC30984 |
0.5763 | Remote Similarity | NPC292819 |
0.5763 | Remote Similarity | NPC4834 |
0.576 | Remote Similarity | NPC328052 |
0.576 | Remote Similarity | NPC72688 |
0.5741 | Remote Similarity | NPC104545 |
0.5739 | Remote Similarity | NPC477122 |
0.5727 | Remote Similarity | NPC21667 |
0.5726 | Remote Similarity | NPC220730 |
0.5714 | Remote Similarity | NPC44733 |
0.5714 | Remote Similarity | NPC91604 |
0.5714 | Remote Similarity | NPC58281 |
0.5703 | Remote Similarity | NPC476814 |
0.5703 | Remote Similarity | NPC472536 |
0.5703 | Remote Similarity | NPC476813 |
0.5703 | Remote Similarity | NPC103391 |
0.5702 | Remote Similarity | NPC174342 |
0.5702 | Remote Similarity | NPC471654 |
0.5702 | Remote Similarity | NPC477973 |
0.5702 | Remote Similarity | NPC249312 |
0.5702 | Remote Similarity | NPC471083 |
0.5701 | Remote Similarity | NPC280654 |
0.5701 | Remote Similarity | NPC260385 |
0.5701 | Remote Similarity | NPC110094 |
0.5691 | Remote Similarity | NPC36497 |
0.5688 | Remote Similarity | NPC471898 |
0.5688 | Remote Similarity | NPC278459 |
0.5686 | Remote Similarity | NPC90782 |
0.5682 | Remote Similarity | NPC470277 |
0.568 | Remote Similarity | NPC470536 |
0.5678 | Remote Similarity | NPC9487 |
0.5676 | Remote Similarity | NPC96095 |
0.5676 | Remote Similarity | NPC248758 |
0.5676 | Remote Similarity | NPC477289 |
0.5676 | Remote Similarity | NPC25833 |
0.5669 | Remote Similarity | NPC56796 |
0.5667 | Remote Similarity | NPC474985 |
0.5662 | Remote Similarity | NPC478136 |
0.566 | Remote Similarity | NPC474463 |
0.5659 | Remote Similarity | NPC288629 |
0.5656 | Remote Similarity | NPC474563 |
0.5656 | Remote Similarity | NPC241879 |
0.5652 | Remote Similarity | NPC120335 |
0.5649 | Remote Similarity | NPC35037 |
0.5648 | Remote Similarity | NPC199595 |
0.5645 | Remote Similarity | NPC169375 |
0.5636 | Remote Similarity | NPC320514 |
0.5636 | Remote Similarity | NPC200513 |
0.5635 | Remote Similarity | NPC476290 |
0.5631 | Remote Similarity | NPC97614 |
0.563 | Remote Similarity | NPC237286 |
0.563 | Remote Similarity | NPC91036 |
0.563 | Remote Similarity | NPC309525 |
0.563 | Remote Similarity | NPC474164 |
0.5625 | Remote Similarity | NPC60350 |
0.5625 | Remote Similarity | NPC76283 |
0.5625 | Remote Similarity | NPC2709 |
0.5625 | Remote Similarity | NPC65661 |
0.562 | Remote Similarity | NPC474348 |
0.5619 | Remote Similarity | NPC211641 |
0.5615 | Remote Similarity | NPC473573 |
0.5614 | Remote Similarity | NPC472302 |
0.561 | Remote Similarity | NPC477000 |
0.561 | Remote Similarity | NPC477001 |
0.5607 | Remote Similarity | NPC471899 |
0.5607 | Remote Similarity | NPC107039 |
0.5607 | Remote Similarity | NPC471897 |
0.5607 | Remote Similarity | NPC472300 |
0.5603 | Remote Similarity | NPC23217 |
0.5603 | Remote Similarity | NPC329842 |
0.5603 | Remote Similarity | NPC65120 |
0.5603 | Remote Similarity | NPC145707 |
0.5603 | Remote Similarity | NPC4036 |
0.5603 | Remote Similarity | NPC145067 |
0.5603 | Remote Similarity | NPC472264 |
0.5603 | Remote Similarity | NPC158030 |
0.5603 | Remote Similarity | NPC233455 |
0.5603 | Remote Similarity | NPC230064 |
0.5603 | Remote Similarity | NPC476064 |
0.56 | Remote Similarity | NPC207820 |
0.56 | Remote Similarity | NPC159367 |
0.56 | Remote Similarity | NPC140251 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC476921 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 |
---|---|---|---|
0.6518 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6083 | Remote Similarity | NPD7333 | Discontinued |
0.6047 | Remote Similarity | NPD6909 | Approved |
0.6047 | Remote Similarity | NPD6908 | Approved |
0.6 | Remote Similarity | NPD1376 | Discontinued |
0.5676 | Remote Similarity | NPD3668 | Phase 3 |
0.5669 | Remote Similarity | NPD8078 | Approved |
0.5669 | Remote Similarity | NPD8077 | Approved |
0.5636 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD5737 | Approved |
0.5614 | Remote Similarity | NPD6672 | Approved |
0.5603 | Remote Similarity | NPD7515 | Phase 2 |
PubChem CID   | 90683095 |
ChEMBL   | CHEMBL3298426 |
ZINC   |
Molecular Weight:   | 564.30 |
ALogP:   | 0.1393 |
MLogP:   | 3.77 |
XLogP:   | 5.843 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 132.42 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 39 |