Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO32571 | diacarnus erythraenus | Species | Podospongiidae | Eukaryota | Red Sea |
PMID[11678661] |
||
NPO9347 | Diacarnus megaspinorhabdosa | Species | Podospongiidae | Eukaryota |
PMID[18672931] |
|||
NPO4211 | Negombata corticata | Species | Latrunculiidae | Eukaryota |
PMID[20718475] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1864 | Cell Line | L5178Y | Mus musculus | EC50 | = | 10 | ug/ml | 19433363 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 11900 | nM | 16872140 |
NPT2 | Others | Unspecified | IC50 | = | 11900 | nM | 16872140 | |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 11900 | nM | 16872140 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 11900 | nM | 16872140 |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 11900 | nM | 16872140 |
NPT168 | Cell Line | P388 | Mus musculus | IC50 | > | 1 | ug/ml | 26122774 |
NPT176 | Organism | Artemia salina | Artemia salina | Activity | = | 45 | % | 10.6019/CHEMBL1201861 |
NPT176 | Organism | Artemia salina | Artemia salina | Activity | = | 55 | % | 19114678 |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 1 | ug/ml | 15217289 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 1 | ug/ml | 18543965 |
NPT168 | Cell Line | P388 | Mus musculus | IC50 | > | 1 | ug/ml | DrugMatrix in vivo data: Hematology |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 1 | ug/ml | DrugMatrix in vivo data: Hematology |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 1 | ug/ml | DrugMatrix in vivo data: Hematology |
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 NPC306805 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 | NPC215987 |
0.9333 | High Similarity | NPC472021 |
0.9167 | High Similarity | NPC472019 |
0.9167 | High Similarity | NPC472020 |
0.9167 | High Similarity | NPC226602 |
0.875 | High Similarity | NPC476330 |
0.873 | High Similarity | NPC474552 |
0.8462 | Intermediate Similarity | NPC469926 |
0.8254 | Intermediate Similarity | NPC475821 |
0.8194 | Intermediate Similarity | NPC476325 |
0.8194 | Intermediate Similarity | NPC476264 |
0.8056 | Intermediate Similarity | NPC59602 |
0.8056 | Intermediate Similarity | NPC476987 |
0.8056 | Intermediate Similarity | NPC475744 |
0.8056 | Intermediate Similarity | NPC474316 |
0.8056 | Intermediate Similarity | NPC152754 |
0.8056 | Intermediate Similarity | NPC476985 |
0.7973 | Intermediate Similarity | NPC268502 |
0.7973 | Intermediate Similarity | NPC254996 |
0.7945 | Intermediate Similarity | NPC122847 |
0.7778 | Intermediate Similarity | NPC330016 |
0.7746 | Intermediate Similarity | NPC470243 |
0.7733 | Intermediate Similarity | NPC308545 |
0.7733 | Intermediate Similarity | NPC82488 |
0.7639 | Intermediate Similarity | NPC167145 |
0.7639 | Intermediate Similarity | NPC474755 |
0.7632 | Intermediate Similarity | NPC476265 |
0.7632 | Intermediate Similarity | NPC274522 |
0.76 | Intermediate Similarity | NPC476986 |
0.76 | Intermediate Similarity | NPC470905 |
0.7532 | Intermediate Similarity | NPC476988 |
0.7468 | Intermediate Similarity | NPC475193 |
0.7468 | Intermediate Similarity | NPC120158 |
0.7467 | Intermediate Similarity | NPC469867 |
0.7467 | Intermediate Similarity | NPC474003 |
0.7463 | Intermediate Similarity | NPC469922 |
0.7436 | Intermediate Similarity | NPC476984 |
0.7436 | Intermediate Similarity | NPC475395 |
0.7429 | Intermediate Similarity | NPC469925 |
0.7424 | Intermediate Similarity | NPC469924 |
0.7333 | Intermediate Similarity | NPC469514 |
0.7333 | Intermediate Similarity | NPC474447 |
0.7308 | Intermediate Similarity | NPC172309 |
0.7308 | Intermediate Similarity | NPC117960 |
0.7308 | Intermediate Similarity | NPC14044 |
0.7273 | Intermediate Similarity | NPC474754 |
0.725 | Intermediate Similarity | NPC471343 |
0.7246 | Intermediate Similarity | NPC314103 |
0.7237 | Intermediate Similarity | NPC471151 |
0.7215 | Intermediate Similarity | NPC476292 |
0.7215 | Intermediate Similarity | NPC474605 |
0.7206 | Intermediate Similarity | NPC469923 |
0.72 | Intermediate Similarity | NPC179922 |
0.7162 | Intermediate Similarity | NPC109510 |
0.7125 | Intermediate Similarity | NPC476100 |
0.7125 | Intermediate Similarity | NPC476983 |
0.7105 | Intermediate Similarity | NPC239127 |
0.7105 | Intermediate Similarity | NPC266119 |
0.7083 | Intermediate Similarity | NPC319007 |
0.7083 | Intermediate Similarity | NPC119838 |
0.7073 | Intermediate Similarity | NPC476104 |
0.7073 | Intermediate Similarity | NPC475181 |
0.7042 | Intermediate Similarity | NPC135043 |
0.7042 | Intermediate Similarity | NPC315525 |
0.7037 | Intermediate Similarity | NPC65133 |
0.7027 | Intermediate Similarity | NPC96322 |
0.7013 | Intermediate Similarity | NPC477918 |
0.7013 | Intermediate Similarity | NPC281296 |
0.7 | Intermediate Similarity | NPC13494 |
0.6984 | Remote Similarity | NPC314084 |
0.6974 | Remote Similarity | NPC474419 |
0.6974 | Remote Similarity | NPC255060 |
0.6962 | Remote Similarity | NPC1882 |
0.6962 | Remote Similarity | NPC469920 |
0.6951 | Remote Similarity | NPC471344 |
0.6933 | Remote Similarity | NPC475230 |
0.6933 | Remote Similarity | NPC238425 |
0.6933 | Remote Similarity | NPC474543 |
0.6933 | Remote Similarity | NPC472018 |
0.6923 | Remote Similarity | NPC121200 |
0.6912 | Remote Similarity | NPC470363 |
0.6901 | Remote Similarity | NPC157518 |
0.6885 | Remote Similarity | NPC249754 |
0.6883 | Remote Similarity | NPC471046 |
0.6875 | Remote Similarity | NPC475481 |
0.6875 | Remote Similarity | NPC79277 |
0.6867 | Remote Similarity | NPC262085 |
0.6867 | Remote Similarity | NPC476982 |
0.6867 | Remote Similarity | NPC477441 |
0.6857 | Remote Similarity | NPC235788 |
0.6842 | Remote Similarity | NPC474551 |
0.6842 | Remote Similarity | NPC317212 |
0.6842 | Remote Similarity | NPC55508 |
0.6842 | Remote Similarity | NPC477867 |
0.6835 | Remote Similarity | NPC113363 |
0.6829 | Remote Similarity | NPC477434 |
0.6825 | Remote Similarity | NPC305182 |
0.6824 | Remote Similarity | NPC471342 |
0.6824 | Remote Similarity | NPC469866 |
0.6812 | Remote Similarity | NPC469921 |
0.6812 | Remote Similarity | NPC478126 |
0.6806 | Remote Similarity | NPC241949 |
0.68 | Remote Similarity | NPC478227 |
0.6795 | Remote Similarity | NPC307865 |
0.6795 | Remote Similarity | NPC108014 |
0.6774 | Remote Similarity | NPC13105 |
0.6769 | Remote Similarity | NPC72722 |
0.6757 | Remote Similarity | NPC178541 |
0.6753 | Remote Similarity | NPC477934 |
0.6753 | Remote Similarity | NPC179858 |
0.675 | Remote Similarity | NPC125366 |
0.6747 | Remote Similarity | NPC477205 |
0.6721 | Remote Similarity | NPC308301 |
0.6714 | Remote Similarity | NPC306750 |
0.6714 | Remote Similarity | NPC253204 |
0.6712 | Remote Similarity | NPC41542 |
0.6712 | Remote Similarity | NPC328304 |
0.6712 | Remote Similarity | NPC329466 |
0.6711 | Remote Similarity | NPC248567 |
0.6707 | Remote Similarity | NPC472847 |
0.6707 | Remote Similarity | NPC475989 |
0.6707 | Remote Similarity | NPC476721 |
0.6706 | Remote Similarity | NPC471221 |
0.6706 | Remote Similarity | NPC221993 |
0.6667 | Remote Similarity | NPC329490 |
0.6667 | Remote Similarity | NPC216137 |
0.6667 | Remote Similarity | NPC477933 |
0.6667 | Remote Similarity | NPC477932 |
0.6667 | Remote Similarity | NPC328639 |
0.6667 | Remote Similarity | NPC475951 |
0.6667 | Remote Similarity | NPC474020 |
0.6667 | Remote Similarity | NPC295256 |
0.6667 | Remote Similarity | NPC69462 |
0.6667 | Remote Similarity | NPC120395 |
0.6667 | Remote Similarity | NPC476717 |
0.6629 | Remote Similarity | NPC217329 |
0.6628 | Remote Similarity | NPC477443 |
0.6628 | Remote Similarity | NPC477440 |
0.6627 | Remote Similarity | NPC25037 |
0.6627 | Remote Similarity | NPC34984 |
0.6627 | Remote Similarity | NPC319909 |
0.6627 | Remote Similarity | NPC181871 |
0.6627 | Remote Similarity | NPC9060 |
0.6625 | Remote Similarity | NPC276647 |
0.6625 | Remote Similarity | NPC622 |
0.6625 | Remote Similarity | NPC73013 |
0.6623 | Remote Similarity | NPC477930 |
0.6591 | Remote Similarity | NPC228700 |
0.6591 | Remote Similarity | NPC474379 |
0.6585 | Remote Similarity | NPC248415 |
0.6585 | Remote Similarity | NPC477935 |
0.6585 | Remote Similarity | NPC477936 |
0.6582 | Remote Similarity | NPC169389 |
0.6579 | Remote Similarity | NPC197701 |
0.6575 | Remote Similarity | NPC84562 |
0.6575 | Remote Similarity | NPC473899 |
0.6571 | Remote Similarity | NPC204173 |
0.6562 | Remote Similarity | NPC90904 |
0.6562 | Remote Similarity | NPC55678 |
0.6557 | Remote Similarity | NPC287231 |
0.6557 | Remote Similarity | NPC47363 |
0.6552 | Remote Similarity | NPC477442 |
0.6552 | Remote Similarity | NPC477433 |
0.6552 | Remote Similarity | NPC477444 |
0.6548 | Remote Similarity | NPC473350 |
0.6548 | Remote Similarity | NPC477445 |
0.6548 | Remote Similarity | NPC474572 |
0.6543 | Remote Similarity | NPC134227 |
0.6538 | Remote Similarity | NPC60718 |
0.6538 | Remote Similarity | NPC199445 |
0.6538 | Remote Similarity | NPC228411 |
0.6533 | Remote Similarity | NPC107130 |
0.6517 | Remote Similarity | NPC309127 |
0.6517 | Remote Similarity | NPC247877 |
0.6517 | Remote Similarity | NPC206878 |
0.6508 | Remote Similarity | NPC324793 |
0.6508 | Remote Similarity | NPC477878 |
0.6506 | Remote Similarity | NPC69469 |
0.6506 | Remote Similarity | NPC15821 |
0.65 | Remote Similarity | NPC472608 |
0.6486 | Remote Similarity | NPC469868 |
0.6486 | Remote Similarity | NPC286842 |
0.6471 | Remote Similarity | NPC92139 |
0.6471 | Remote Similarity | NPC238593 |
0.6471 | Remote Similarity | NPC104961 |
0.6471 | Remote Similarity | NPC70555 |
0.6471 | Remote Similarity | NPC83242 |
0.6471 | Remote Similarity | NPC70422 |
0.6447 | Remote Similarity | NPC472017 |
0.6438 | Remote Similarity | NPC469791 |
0.6438 | Remote Similarity | NPC19311 |
0.6438 | Remote Similarity | NPC230047 |
0.6437 | Remote Similarity | NPC67653 |
0.6437 | Remote Similarity | NPC77001 |
0.6437 | Remote Similarity | NPC471459 |
0.6437 | Remote Similarity | NPC253618 |
0.6437 | Remote Similarity | NPC200580 |
0.6429 | Remote Similarity | NPC469407 |
0.6429 | Remote Similarity | NPC101138 |
0.6429 | Remote Similarity | NPC17935 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC306805 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 |
---|---|---|---|
0.7188 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.7083 | Intermediate Similarity | NPD229 | Approved |
0.6923 | Remote Similarity | NPD4802 | Phase 2 |
0.6923 | Remote Similarity | NPD4238 | Approved |
0.68 | Remote Similarity | NPD5777 | Approved |
0.6667 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD9496 | Clinical (unspecified phase) |
0.6557 | Remote Similarity | NPD2699 | Approved |
0.6528 | Remote Similarity | NPD7909 | Approved |
0.6508 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.65 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD3198 | Approved |
0.6375 | Remote Similarity | NPD6116 | Phase 1 |
0.6329 | Remote Similarity | NPD3702 | Approved |
0.6265 | Remote Similarity | NPD5369 | Approved |
0.625 | Remote Similarity | NPD6117 | Approved |
0.625 | Remote Similarity | NPD2266 | Phase 2 |
0.6212 | Remote Similarity | NPD9638 | Phase 2 |
0.6203 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD634 | Phase 3 |
0.6176 | Remote Similarity | NPD3730 | Approved |
0.6176 | Remote Similarity | NPD3728 | Approved |
0.6154 | Remote Similarity | NPD6081 | Approved |
0.6133 | Remote Similarity | NPD4224 | Phase 2 |
0.6119 | Remote Similarity | NPD3186 | Phase 1 |
0.6111 | Remote Similarity | NPD6411 | Approved |
0.6104 | Remote Similarity | NPD3726 | Approved |
0.6104 | Remote Similarity | NPD3725 | Approved |
0.6098 | Remote Similarity | NPD6115 | Approved |
0.6098 | Remote Similarity | NPD6118 | Approved |
0.6098 | Remote Similarity | NPD6114 | Approved |
0.6098 | Remote Similarity | NPD6697 | Approved |
0.6071 | Remote Similarity | NPD1780 | Approved |
0.6071 | Remote Similarity | NPD1779 | Approved |
0.6026 | Remote Similarity | NPD4245 | Approved |
0.6026 | Remote Similarity | NPD4244 | Approved |
0.6 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5978 | Remote Similarity | NPD5282 | Discontinued |
0.5949 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5949 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD3698 | Phase 2 |
0.5897 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5889 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5889 | Remote Similarity | NPD6101 | Approved |
0.5876 | Remote Similarity | NPD8138 | Approved |
0.5876 | Remote Similarity | NPD8086 | Approved |
0.5876 | Remote Similarity | NPD8083 | Approved |
0.5876 | Remote Similarity | NPD8082 | Approved |
0.5876 | Remote Similarity | NPD8139 | Approved |
0.5876 | Remote Similarity | NPD8085 | Approved |
0.5876 | Remote Similarity | NPD8084 | Approved |
0.587 | Remote Similarity | NPD6399 | Phase 3 |
0.5833 | Remote Similarity | NPD3206 | Approved |
0.5824 | Remote Similarity | NPD5785 | Approved |
0.5823 | Remote Similarity | NPD4789 | Approved |
0.5816 | Remote Similarity | NPD8276 | Approved |
0.5816 | Remote Similarity | NPD8275 | Approved |
0.5814 | Remote Similarity | NPD6435 | Approved |
0.5814 | Remote Similarity | NPD4269 | Approved |
0.5814 | Remote Similarity | NPD7345 | Approved |
0.5814 | Remote Similarity | NPD4270 | Approved |
0.5806 | Remote Similarity | NPD7900 | Approved |
0.5806 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD5360 | Phase 3 |
0.5769 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD5368 | Approved |
0.5761 | Remote Similarity | NPD8034 | Phase 2 |
0.5761 | Remote Similarity | NPD8035 | Phase 2 |
0.5758 | Remote Similarity | NPD8081 | Approved |
0.5745 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD2257 | Approved |
0.573 | Remote Similarity | NPD5786 | Approved |
0.573 | Remote Similarity | NPD7521 | Approved |
0.573 | Remote Similarity | NPD7146 | Approved |
0.573 | Remote Similarity | NPD7334 | Approved |
0.573 | Remote Similarity | NPD6684 | Approved |
0.573 | Remote Similarity | NPD6409 | Approved |
0.573 | Remote Similarity | NPD5330 | Approved |
0.5714 | Remote Similarity | NPD8301 | Approved |
0.5714 | Remote Similarity | NPD8300 | Approved |
0.5714 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.57 | Remote Similarity | NPD8393 | Approved |
0.5694 | Remote Similarity | NPD4279 | Approved |
0.5667 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD7902 | Approved |
0.5618 | Remote Similarity | NPD5363 | Approved |
0.5618 | Remote Similarity | NPD1694 | Approved |
0.5612 | Remote Similarity | NPD1700 | Approved |
0.5604 | Remote Similarity | NPD5737 | Approved |
0.5604 | Remote Similarity | NPD6672 | Approved |
0.5604 | Remote Similarity | NPD4264 | Clinical (unspecified phase) |
0.5604 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5604 | Remote Similarity | NPD6903 | Approved |
PubChem CID   | 10992296 |
ChEMBL   | CHEMBL493213 |
ZINC   |
Molecular Weight:   | 370.24 |
ALogP:   | 1.7069 |
MLogP:   | 3 |
XLogP:   | 2.305 |
# Rotatable Bonds:   | 17 |
Polar Surface Area:   | 78.9 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 26 |