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 | = | 3.5 | ug/ml | 24828374 |
NPT111 | Cell Line | K562 | Homo sapiens | LC50 | = | 3.6 | ug/ml | 24828374 |
NPT2 | Others | Unspecified | MIC | = | 50 | ug/ml | 24828374 | |
NPT2 | Others | Unspecified | MIC | = | 60 | 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 |
NPT1190 | Organism | Salmonella enterica | Salmonella enterica | 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 NPC476922 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 |
---|---|---|
0.9394 | High Similarity | NPC476920 |
0.8824 | High Similarity | NPC476919 |
0.8 | Intermediate Similarity | NPC476921 |
0.7925 | Intermediate Similarity | NPC476926 |
0.7778 | Intermediate Similarity | NPC476918 |
0.7619 | Intermediate Similarity | NPC477964 |
0.7129 | Intermediate Similarity | NPC157479 |
0.703 | Intermediate Similarity | NPC147513 |
0.6814 | Remote Similarity | NPC476328 |
0.6733 | Remote Similarity | NPC215474 |
0.6696 | Remote Similarity | NPC476276 |
0.6667 | Remote Similarity | NPC324405 |
0.6667 | Remote Similarity | NPC477121 |
0.6634 | Remote Similarity | NPC90150 |
0.65 | Remote Similarity | NPC176336 |
0.646 | Remote Similarity | NPC77703 |
0.6273 | Remote Similarity | NPC93027 |
0.6111 | Remote Similarity | NPC43308 |
0.6075 | Remote Similarity | NPC311769 |
0.6075 | Remote Similarity | NPC182106 |
0.5981 | Remote Similarity | NPC318515 |
0.5909 | Remote Similarity | NPC259252 |
0.59 | Remote Similarity | NPC265789 |
0.5897 | Remote Similarity | NPC474001 |
0.5841 | Remote Similarity | NPC247316 |
0.584 | Remote Similarity | NPC145501 |
0.5826 | Remote Similarity | NPC247220 |
0.5804 | Remote Similarity | NPC47230 |
0.5804 | Remote Similarity | NPC17143 |
0.5789 | Remote Similarity | NPC476754 |
0.578 | Remote Similarity | NPC75810 |
0.5772 | Remote Similarity | NPC72688 |
0.5772 | Remote Similarity | NPC63511 |
0.5743 | Remote Similarity | NPC21773 |
0.5741 | Remote Similarity | NPC477124 |
0.5727 | Remote Similarity | NPC166458 |
0.5682 | Remote Similarity | NPC321197 |
0.5673 | Remote Similarity | NPC7214 |
0.5669 | Remote Similarity | NPC246904 |
0.5664 | Remote Similarity | NPC473056 |
0.566 | Remote Similarity | NPC211322 |
0.5652 | Remote Similarity | NPC324078 |
0.5644 | Remote Similarity | NPC473442 |
0.5644 | Remote Similarity | NPC120167 |
0.5641 | Remote Similarity | NPC140300 |
0.5641 | Remote Similarity | NPC184033 |
0.5636 | Remote Similarity | NPC152684 |
0.5631 | Remote Similarity | NPC476904 |
0.5625 | Remote Similarity | NPC317363 |
0.562 | Remote Similarity | NPC470596 |
0.56 | Remote Similarity | NPC143173 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC476922 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 |
---|---|---|---|
0.5833 | Remote Similarity | NPD7333 | Discontinued |
PubChem CID   | 90683097 |
ChEMBL   | CHEMBL3298427 |
ZINC   |
Molecular Weight:   | 572.24 |
ALogP:   | -0.555 |
MLogP:   | 3.22 |
XLogP:   | 4.649 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 157.87 |
# H-Bond Aceptor:   | 9 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 38 |