Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29956 | Sanicula lamelligera | Species | Apiaceae | Eukaryota | Whole plants | Mountain Emei, Sichuan Province, China | 2008-OCT |
PMID[21561060] |
NPO29956 | Sanicula lamelligera | Species | Apiaceae | Eukaryota | Whole Plants |
PMID[21561060] |
||
NPO23706 | Breea segeta | NA | NA | NA | TM-MC* | |||
NPO11697 | Cirsium setosum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO23548 | Leonurus japonicus | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO2345 | Coriandrum sativum | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO27665 | Erythroxylum cambodianum | Species | Erythroxylaceae | Eukaryota | TCMID* | |||
NPO25618 | Eriobotrya japonica | Species | Rosaceae | Eukaryota | TCMID* | |||
NPO19755 | Artemisia anomala | Species | Asteraceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT659 | Cell Line | SMMC-7721 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | > | 64400 | nM | 21561060 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | > | 259100 | nM | 21561060 |
NPT1452 | Cell Line | C8166 | Homo sapiens | CC50 | > | 259100 | nM | 21561060 |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | > | 64400 | nM | 21561060 |
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 NPC34581 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 |
---|---|---|
0.8132 | Intermediate Similarity | NPC474835 |
0.8041 | Intermediate Similarity | NPC194941 |
0.7912 | Intermediate Similarity | NPC474249 |
0.7912 | Intermediate Similarity | NPC261990 |
0.7835 | Intermediate Similarity | NPC214277 |
0.7789 | Intermediate Similarity | NPC125551 |
0.7789 | Intermediate Similarity | NPC91197 |
0.7789 | Intermediate Similarity | NPC309503 |
0.7789 | Intermediate Similarity | NPC239547 |
0.7789 | Intermediate Similarity | NPC155319 |
0.7789 | Intermediate Similarity | NPC96597 |
0.7755 | Intermediate Similarity | NPC473070 |
0.7742 | Intermediate Similarity | NPC91654 |
0.7742 | Intermediate Similarity | NPC67398 |
0.7742 | Intermediate Similarity | NPC474792 |
0.7732 | Intermediate Similarity | NPC198992 |
0.7732 | Intermediate Similarity | NPC280991 |
0.7708 | Intermediate Similarity | NPC81483 |
0.7708 | Intermediate Similarity | NPC169468 |
0.7708 | Intermediate Similarity | NPC312325 |
0.7708 | Intermediate Similarity | NPC307517 |
0.7708 | Intermediate Similarity | NPC61630 |
0.7677 | Intermediate Similarity | NPC473068 |
0.766 | Intermediate Similarity | NPC25701 |
0.766 | Intermediate Similarity | NPC2003 |
0.7653 | Intermediate Similarity | NPC150463 |
0.7634 | Intermediate Similarity | NPC289361 |
0.7609 | Intermediate Similarity | NPC477748 |
0.76 | Intermediate Similarity | NPC239961 |
0.7576 | Intermediate Similarity | NPC151516 |
0.7551 | Intermediate Similarity | NPC154127 |
0.7527 | Intermediate Similarity | NPC202886 |
0.7526 | Intermediate Similarity | NPC198422 |
0.7526 | Intermediate Similarity | NPC40182 |
0.75 | Intermediate Similarity | NPC248312 |
0.75 | Intermediate Similarity | NPC471755 |
0.75 | Intermediate Similarity | NPC90583 |
0.75 | Intermediate Similarity | NPC471756 |
0.7475 | Intermediate Similarity | NPC121423 |
0.7475 | Intermediate Similarity | NPC223834 |
0.7451 | Intermediate Similarity | NPC473069 |
0.7447 | Intermediate Similarity | NPC477749 |
0.7447 | Intermediate Similarity | NPC302584 |
0.7426 | Intermediate Similarity | NPC82251 |
0.7423 | Intermediate Similarity | NPC474194 |
0.7419 | Intermediate Similarity | NPC309310 |
0.7396 | Intermediate Similarity | NPC108141 |
0.7379 | Intermediate Similarity | NPC206618 |
0.7375 | Intermediate Similarity | NPC86856 |
0.7353 | Intermediate Similarity | NPC472390 |
0.7349 | Intermediate Similarity | NPC474078 |
0.7347 | Intermediate Similarity | NPC70733 |
0.7347 | Intermediate Similarity | NPC477928 |
0.7347 | Intermediate Similarity | NPC56071 |
0.7326 | Intermediate Similarity | NPC229655 |
0.732 | Intermediate Similarity | NPC256230 |
0.7308 | Intermediate Similarity | NPC83005 |
0.7308 | Intermediate Similarity | NPC46407 |
0.7303 | Intermediate Similarity | NPC16090 |
0.73 | Intermediate Similarity | NPC201191 |
0.7292 | Intermediate Similarity | NPC96736 |
0.7292 | Intermediate Similarity | NPC211238 |
0.7292 | Intermediate Similarity | NPC477927 |
0.7292 | Intermediate Similarity | NPC178949 |
0.7292 | Intermediate Similarity | NPC72817 |
0.7282 | Intermediate Similarity | NPC177524 |
0.7282 | Intermediate Similarity | NPC38948 |
0.7282 | Intermediate Similarity | NPC219900 |
0.7282 | Intermediate Similarity | NPC392 |
0.7273 | Intermediate Similarity | NPC80471 |
0.7273 | Intermediate Similarity | NPC5908 |
0.7273 | Intermediate Similarity | NPC110373 |
0.7264 | Intermediate Similarity | NPC75167 |
0.7264 | Intermediate Similarity | NPC311592 |
0.7255 | Intermediate Similarity | NPC470763 |
0.7255 | Intermediate Similarity | NPC85670 |
0.7255 | Intermediate Similarity | NPC470767 |
0.7253 | Intermediate Similarity | NPC266718 |
0.7253 | Intermediate Similarity | NPC166279 |
0.7253 | Intermediate Similarity | NPC475035 |
0.725 | Intermediate Similarity | NPC31496 |
0.7245 | Intermediate Similarity | NPC240372 |
0.7228 | Intermediate Similarity | NPC473123 |
0.7228 | Intermediate Similarity | NPC473124 |
0.7222 | Intermediate Similarity | NPC473852 |
0.7222 | Intermediate Similarity | NPC77319 |
0.7222 | Intermediate Similarity | NPC474418 |
0.7222 | Intermediate Similarity | NPC471351 |
0.7222 | Intermediate Similarity | NPC50305 |
0.7222 | Intermediate Similarity | NPC27507 |
0.7222 | Intermediate Similarity | NPC244402 |
0.7222 | Intermediate Similarity | NPC471354 |
0.7222 | Intermediate Similarity | NPC243196 |
0.7222 | Intermediate Similarity | NPC157376 |
0.7222 | Intermediate Similarity | NPC99728 |
0.7222 | Intermediate Similarity | NPC196429 |
0.7222 | Intermediate Similarity | NPC142066 |
0.7222 | Intermediate Similarity | NPC84987 |
0.7222 | Intermediate Similarity | NPC87250 |
0.7222 | Intermediate Similarity | NPC471353 |
0.7222 | Intermediate Similarity | NPC309034 |
0.7222 | Intermediate Similarity | NPC158344 |
0.7222 | Intermediate Similarity | NPC471355 |
0.7222 | Intermediate Similarity | NPC20072 |
0.7222 | Intermediate Similarity | NPC34390 |
0.7204 | Intermediate Similarity | NPC475037 |
0.7196 | Intermediate Similarity | NPC181145 |
0.7191 | Intermediate Similarity | NPC127295 |
0.7191 | Intermediate Similarity | NPC163362 |
0.7191 | Intermediate Similarity | NPC100697 |
0.7188 | Intermediate Similarity | NPC472196 |
0.7188 | Intermediate Similarity | NPC320089 |
0.7188 | Intermediate Similarity | NPC472195 |
0.7188 | Intermediate Similarity | NPC238090 |
0.7184 | Intermediate Similarity | NPC122816 |
0.7174 | Intermediate Similarity | NPC477747 |
0.7174 | Intermediate Similarity | NPC477746 |
0.7172 | Intermediate Similarity | NPC157739 |
0.7159 | Intermediate Similarity | NPC272841 |
0.7158 | Intermediate Similarity | NPC117596 |
0.7158 | Intermediate Similarity | NPC327253 |
0.7157 | Intermediate Similarity | NPC203354 |
0.7157 | Intermediate Similarity | NPC473127 |
0.7157 | Intermediate Similarity | NPC110656 |
0.7157 | Intermediate Similarity | NPC470768 |
0.7156 | Intermediate Similarity | NPC83287 |
0.7143 | Intermediate Similarity | NPC177047 |
0.7143 | Intermediate Similarity | NPC472989 |
0.7143 | Intermediate Similarity | NPC103627 |
0.7143 | Intermediate Similarity | NPC170974 |
0.7143 | Intermediate Similarity | NPC143446 |
0.7143 | Intermediate Similarity | NPC471879 |
0.7143 | Intermediate Similarity | NPC191439 |
0.713 | Intermediate Similarity | NPC99620 |
0.713 | Intermediate Similarity | NPC193382 |
0.713 | Intermediate Similarity | NPC5311 |
0.713 | Intermediate Similarity | NPC199428 |
0.713 | Intermediate Similarity | NPC310341 |
0.7129 | Intermediate Similarity | NPC470571 |
0.7129 | Intermediate Similarity | NPC472815 |
0.7115 | Intermediate Similarity | NPC272576 |
0.7115 | Intermediate Similarity | NPC48548 |
0.7115 | Intermediate Similarity | NPC135015 |
0.7115 | Intermediate Similarity | NPC128795 |
0.7115 | Intermediate Similarity | NPC473288 |
0.7115 | Intermediate Similarity | NPC217921 |
0.7113 | Intermediate Similarity | NPC305160 |
0.7113 | Intermediate Similarity | NPC159698 |
0.7113 | Intermediate Similarity | NPC294293 |
0.7103 | Intermediate Similarity | NPC264153 |
0.7103 | Intermediate Similarity | NPC473159 |
0.71 | Intermediate Similarity | NPC130792 |
0.71 | Intermediate Similarity | NPC64348 |
0.7093 | Intermediate Similarity | NPC308489 |
0.7087 | Intermediate Similarity | NPC473199 |
0.7087 | Intermediate Similarity | NPC51719 |
0.7087 | Intermediate Similarity | NPC41681 |
0.7083 | Intermediate Similarity | NPC472124 |
0.7083 | Intermediate Similarity | NPC472125 |
0.7083 | Intermediate Similarity | NPC472126 |
0.7071 | Intermediate Similarity | NPC473555 |
0.7071 | Intermediate Similarity | NPC471770 |
0.7071 | Intermediate Similarity | NPC278939 |
0.7071 | Intermediate Similarity | NPC278506 |
0.7064 | Intermediate Similarity | NPC203862 |
0.7064 | Intermediate Similarity | NPC152615 |
0.7064 | Intermediate Similarity | NPC93883 |
0.7059 | Intermediate Similarity | NPC281378 |
0.7059 | Intermediate Similarity | NPC120009 |
0.7053 | Intermediate Similarity | NPC470819 |
0.7048 | Intermediate Similarity | NPC473328 |
0.7048 | Intermediate Similarity | NPC316974 |
0.7048 | Intermediate Similarity | NPC473318 |
0.7048 | Intermediate Similarity | NPC472901 |
0.7048 | Intermediate Similarity | NPC257853 |
0.7048 | Intermediate Similarity | NPC28844 |
0.7048 | Intermediate Similarity | NPC8431 |
0.7048 | Intermediate Similarity | NPC473570 |
0.7048 | Intermediate Similarity | NPC40728 |
0.7037 | Intermediate Similarity | NPC69576 |
0.7037 | Intermediate Similarity | NPC84949 |
0.7037 | Intermediate Similarity | NPC106446 |
0.7037 | Intermediate Similarity | NPC31354 |
0.7037 | Intermediate Similarity | NPC471633 |
0.703 | Intermediate Similarity | NPC11974 |
0.703 | Intermediate Similarity | NPC129372 |
0.703 | Intermediate Similarity | NPC309425 |
0.703 | Intermediate Similarity | NPC472023 |
0.703 | Intermediate Similarity | NPC88000 |
0.703 | Intermediate Similarity | NPC472554 |
0.703 | Intermediate Similarity | NPC285231 |
0.703 | Intermediate Similarity | NPC47566 |
0.703 | Intermediate Similarity | NPC160734 |
0.703 | Intermediate Similarity | NPC4831 |
0.703 | Intermediate Similarity | NPC477717 |
0.703 | Intermediate Similarity | NPC21568 |
0.7027 | Intermediate Similarity | NPC475556 |
0.7027 | Intermediate Similarity | NPC48692 |
0.7027 | Intermediate Similarity | NPC475629 |
0.7027 | Intermediate Similarity | NPC474466 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC34581 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 |
---|---|---|---|
0.7282 | Intermediate Similarity | NPD6686 | Approved |
0.7156 | Intermediate Similarity | NPD7328 | Approved |
0.7156 | Intermediate Similarity | NPD7327 | Approved |
0.7091 | Intermediate Similarity | NPD7516 | Approved |
0.6964 | Remote Similarity | NPD8380 | Approved |
0.6964 | Remote Similarity | NPD8379 | Approved |
0.6964 | Remote Similarity | NPD8296 | Approved |
0.6964 | Remote Similarity | NPD8378 | Approved |
0.6964 | Remote Similarity | NPD8335 | Approved |
0.6944 | Remote Similarity | NPD8133 | Approved |
0.6875 | Remote Similarity | NPD8377 | Approved |
0.6875 | Remote Similarity | NPD8294 | Approved |
0.6857 | Remote Similarity | NPD6412 | Phase 2 |
0.6814 | Remote Similarity | NPD7503 | Approved |
0.6814 | Remote Similarity | NPD8033 | Approved |
0.6636 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6581 | Remote Similarity | NPD7507 | Approved |
0.6574 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6555 | Remote Similarity | NPD7319 | Approved |
0.6505 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6465 | Remote Similarity | NPD6698 | Approved |
0.6465 | Remote Similarity | NPD46 | Approved |
0.6381 | Remote Similarity | NPD5344 | Discontinued |
0.6364 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6354 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.63 | Remote Similarity | NPD7838 | Discovery |
0.6273 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6271 | Remote Similarity | NPD8328 | Phase 3 |
0.619 | Remote Similarity | NPD4225 | Approved |
0.6162 | Remote Similarity | NPD7524 | Approved |
0.6161 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD1810 | Approved |
0.6154 | Remote Similarity | NPD1811 | Approved |
0.6102 | Remote Similarity | NPD6921 | Approved |
0.6082 | Remote Similarity | NPD3669 | Approved |
0.6082 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.605 | Remote Similarity | NPD6370 | Approved |
0.6038 | Remote Similarity | NPD7638 | Approved |
0.6034 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.602 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6019 | Remote Similarity | NPD8171 | Discontinued |
0.6 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD893 | Approved |
0.6 | Remote Similarity | NPD891 | Phase 3 |
0.6 | Remote Similarity | NPD888 | Phase 3 |
0.6 | Remote Similarity | NPD892 | Phase 3 |
0.5981 | Remote Similarity | NPD7639 | Approved |
0.5981 | Remote Similarity | NPD6648 | Approved |
0.5981 | Remote Similarity | NPD7640 | Approved |
0.5966 | Remote Similarity | NPD8517 | Approved |
0.5966 | Remote Similarity | NPD8513 | Phase 3 |
0.5966 | Remote Similarity | NPD8515 | Approved |
0.5966 | Remote Similarity | NPD8516 | Approved |
0.5949 | Remote Similarity | NPD905 | Approved |
0.5949 | Remote Similarity | NPD904 | Phase 3 |
0.5918 | Remote Similarity | NPD6695 | Phase 3 |
0.5909 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD6059 | Approved |
0.5882 | Remote Similarity | NPD6054 | Approved |
0.5875 | Remote Similarity | NPD2269 | Approved |
0.5862 | Remote Similarity | NPD371 | Approved |
0.5854 | Remote Similarity | NPD8293 | Discontinued |
0.5833 | Remote Similarity | NPD6015 | Approved |
0.5833 | Remote Similarity | NPD6016 | Approved |
0.5825 | Remote Similarity | NPD3168 | Discontinued |
0.5824 | Remote Similarity | NPD2686 | Approved |
0.5824 | Remote Similarity | NPD2687 | Approved |
0.5824 | Remote Similarity | NPD2254 | Approved |
0.5806 | Remote Similarity | NPD7736 | Approved |
0.5804 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD887 | Approved |
0.5802 | Remote Similarity | NPD895 | Approved |
0.5802 | Remote Similarity | NPD889 | Approved |
0.5802 | Remote Similarity | NPD894 | Approved |
0.5789 | Remote Similarity | NPD6371 | Approved |
0.5785 | Remote Similarity | NPD5988 | Approved |
0.5763 | Remote Similarity | NPD6009 | Approved |
0.575 | Remote Similarity | NPD6319 | Approved |
0.5738 | Remote Similarity | NPD7642 | Approved |
0.5738 | Remote Similarity | NPD6067 | Discontinued |
0.5698 | Remote Similarity | NPD6123 | Approved |
0.5691 | Remote Similarity | NPD7492 | Approved |
0.569 | Remote Similarity | NPD6882 | Approved |
0.5686 | Remote Similarity | NPD7750 | Discontinued |
0.566 | Remote Similarity | NPD5282 | Discontinued |
0.5645 | Remote Similarity | NPD6616 | Approved |
0.5645 | Remote Similarity | NPD8451 | Approved |
0.5641 | Remote Similarity | NPD4632 | Approved |
0.563 | Remote Similarity | NPD7115 | Discovery |
0.5619 | Remote Similarity | NPD7983 | Approved |
0.5619 | Remote Similarity | NPD7637 | Suspended |
0.5612 | Remote Similarity | NPD6931 | Approved |
0.5612 | Remote Similarity | NPD6930 | Phase 2 |
0.561 | Remote Similarity | NPD7829 | Approved |
0.561 | Remote Similarity | NPD7830 | Approved |
0.56 | Remote Similarity | NPD8448 | Approved |
0.56 | Remote Similarity | NPD7078 | Approved |
PubChem CID   | 14312562 |
ChEMBL   | CHEMBL1814429 |
ZINC   |
Molecular Weight:   | 386.19 |
ALogP:   | -1.1243 |
MLogP:   | 2.67 |
XLogP:   | 1.223 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 136.68 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 5 |
# Rings:   | 2 |
# Heavy Atoms:   | 27 |