Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | Whole plant | steroidal saponins |
PMID[16933867] |
|
NPO958 | Tambja ceutae | Species | Polyceridae | Eukaryota | UNPD* | |||
NPO16714 | Campanula pendula | Species | Campanulaceae | Eukaryota | UNPD* | |||
NPO6345 | Podocarpus sellowii | Species | Podocarpaceae | Eukaryota | UNPD* | |||
NPO7377 | Hemiphragma heterophyllum | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO6107 | Acacia lemmoni | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO4773 | Pteromys volans | Species | Sciuridae | Eukaryota | UNPD* | |||
NPO1244 | Trimusculus conica | Species | Trimusculidae | Eukaryota | UNPD* | |||
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | UNPD* | |||
NPO4350 | Chlorella pyrenoidosa | Species | Chlorellaceae | Eukaryota | UNPD* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | UNPD* | |||
NPO3023 | Achillea pratensis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO7093 | Oncorhynchus keta | Species | Salmonidae | Eukaryota | UNPD* | |||
NPO27244 | Dysosma pleiantha | Species | Berberidaceae | Eukaryota | UNPD* | |||
NPO5739 | Rubus foliolosus | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO241 | Teucrium cossonii | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO7640 | Klaseopsis chinensis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO2339 | Turnera ulmifolia | Species | Passifloraceae | Eukaryota | UNPD* | |||
NPO1814 | Euphorbia cattimandoo | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO4847 | Lasianthus wallichii | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO6523 | Streptococcus pneumoniae | Species | Streptococcaceae | Bacteria | UNPD* | |||
NPO9099 | Carissa spinarum | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO5518 | Thuja dolabrata | Species | Cupressaceae | Eukaryota | UNPD* | |||
NPO5809 | Xanthoparmelia tinctina | Species | Parmeliaceae | Eukaryota | UNPD* | |||
NPO6951 | Dictyota spinulosa | Species | Dictyotaceae | Eukaryota | UNPD* | |||
NPO4050 | Boronia lanceolata | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO586 | Lomandra hastilis | Species | Asparagaceae | Eukaryota | UNPD* | |||
NPO4204 | Ochradenus baccatus | Species | Resedaceae | Eukaryota | UNPD* | |||
NPO4411 | Plantago ovata | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO6421 | Neolitsea sericea | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO1977 | Arum montanum | Species | Araceae | Eukaryota | UNPD* | |||
NPO15684 | Bipolaris maydis | Species | Pleosporaceae | Eukaryota | UNPD* | |||
NPO4125 | Corydalis crystallina | Species | Papaveraceae | Eukaryota | UNPD* | |||
NPO7161 | Capparis angulata | Species | Capparaceae | Eukaryota | UNPD* | |||
NPO6722 | Anaphalis margaritacea | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO27992 | Solanum nigrum linn | Species | Solanaceae | Eukaryota | TCMSP* | |||
NPO10450 | Clerodendrum infortunatum | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | TM-MC* | |||
NPO3456 | Eucalyptus campanulata | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO518 | Mercurialis leiocarpa | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO798 | Chloranthus holostegius | Species | Chloranthaceae | Eukaryota | UNPD* | |||
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | TCMID* | |||
NPO3913 | Alcea nudiflora | Species | Malvaceae | Eukaryota | UNPD* | |||
NPO3528 | Cinnamomum pedunculatum | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO1659 | Primula denticulata | Species | Primulaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 250 | nM | 16933867 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 1570 | nM | 16933867 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | = | 4490 | nM | 16933867 |
NPT395 | Cell Line | SF-268 | Homo sapiens | IC50 | = | 3190 | nM | 16933867 |
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 NPC30856 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 | NPC470864 |
1.0 | High Similarity | NPC284104 |
1.0 | High Similarity | NPC116756 |
1.0 | High Similarity | NPC184617 |
1.0 | High Similarity | NPC103616 |
1.0 | High Similarity | NPC97700 |
1.0 | High Similarity | NPC84111 |
1.0 | High Similarity | NPC232037 |
1.0 | High Similarity | NPC470865 |
1.0 | High Similarity | NPC160426 |
1.0 | High Similarity | NPC98018 |
1.0 | High Similarity | NPC128572 |
1.0 | High Similarity | NPC132080 |
1.0 | High Similarity | NPC470863 |
1.0 | High Similarity | NPC470866 |
1.0 | High Similarity | NPC475625 |
1.0 | High Similarity | NPC287483 |
1.0 | High Similarity | NPC475643 |
0.9889 | High Similarity | NPC83137 |
0.9889 | High Similarity | NPC232611 |
0.9889 | High Similarity | NPC470861 |
0.9889 | High Similarity | NPC115165 |
0.9889 | High Similarity | NPC307534 |
0.9889 | High Similarity | NPC303069 |
0.9889 | High Similarity | NPC470862 |
0.9889 | High Similarity | NPC51520 |
0.9889 | High Similarity | NPC476112 |
0.9888 | High Similarity | NPC19400 |
0.9888 | High Similarity | NPC206003 |
0.9888 | High Similarity | NPC107188 |
0.9888 | High Similarity | NPC475351 |
0.9888 | High Similarity | NPC211354 |
0.9888 | High Similarity | NPC6295 |
0.9888 | High Similarity | NPC473610 |
0.9888 | High Similarity | NPC107962 |
0.9888 | High Similarity | NPC473727 |
0.978 | High Similarity | NPC473518 |
0.978 | High Similarity | NPC291548 |
0.9778 | High Similarity | NPC195297 |
0.9778 | High Similarity | NPC473601 |
0.9775 | High Similarity | NPC217205 |
0.9775 | High Similarity | NPC291203 |
0.9775 | High Similarity | NPC471464 |
0.9775 | High Similarity | NPC264101 |
0.967 | High Similarity | NPC274200 |
0.9663 | High Similarity | NPC297348 |
0.9663 | High Similarity | NPC249204 |
0.9663 | High Similarity | NPC325828 |
0.9663 | High Similarity | NPC477451 |
0.9663 | High Similarity | NPC234352 |
0.9663 | High Similarity | NPC177834 |
0.9663 | High Similarity | NPC477547 |
0.9663 | High Similarity | NPC141769 |
0.9663 | High Similarity | NPC250393 |
0.9663 | High Similarity | NPC48339 |
0.956 | High Similarity | NPC139271 |
0.956 | High Similarity | NPC304011 |
0.956 | High Similarity | NPC121453 |
0.9556 | High Similarity | NPC174024 |
0.9556 | High Similarity | NPC179859 |
0.9556 | High Similarity | NPC312678 |
0.9556 | High Similarity | NPC291547 |
0.9556 | High Similarity | NPC131693 |
0.9556 | High Similarity | NPC475436 |
0.9556 | High Similarity | NPC253268 |
0.9556 | High Similarity | NPC222731 |
0.9556 | High Similarity | NPC294686 |
0.9556 | High Similarity | NPC473851 |
0.9451 | High Similarity | NPC474399 |
0.9444 | High Similarity | NPC172838 |
0.9444 | High Similarity | NPC149400 |
0.9444 | High Similarity | NPC88962 |
0.9444 | High Similarity | NPC137004 |
0.9444 | High Similarity | NPC144790 |
0.9341 | High Similarity | NPC305418 |
0.9341 | High Similarity | NPC24960 |
0.9341 | High Similarity | NPC473774 |
0.9341 | High Similarity | NPC45959 |
0.9341 | High Similarity | NPC252253 |
0.9247 | High Similarity | NPC477223 |
0.9247 | High Similarity | NPC477222 |
0.9222 | High Similarity | NPC473542 |
0.9222 | High Similarity | NPC65550 |
0.914 | High Similarity | NPC476510 |
0.914 | High Similarity | NPC142264 |
0.9121 | High Similarity | NPC204881 |
0.9121 | High Similarity | NPC149966 |
0.9121 | High Similarity | NPC307167 |
0.9121 | High Similarity | NPC473830 |
0.9121 | High Similarity | NPC210759 |
0.9121 | High Similarity | NPC5632 |
0.9121 | High Similarity | NPC229801 |
0.9043 | High Similarity | NPC210157 |
0.9043 | High Similarity | NPC233649 |
0.9043 | High Similarity | NPC475207 |
0.9043 | High Similarity | NPC470591 |
0.9043 | High Similarity | NPC470028 |
0.9022 | High Similarity | NPC473726 |
0.9022 | High Similarity | NPC311246 |
0.9022 | High Similarity | NPC167644 |
0.9 | High Similarity | NPC281004 |
0.8958 | High Similarity | NPC475574 |
0.8947 | High Similarity | NPC473616 |
0.8925 | High Similarity | NPC175 |
0.8925 | High Similarity | NPC477224 |
0.8925 | High Similarity | NPC309866 |
0.8925 | High Similarity | NPC113500 |
0.8925 | High Similarity | NPC3538 |
0.8901 | High Similarity | NPC20822 |
0.8901 | High Similarity | NPC102725 |
0.8901 | High Similarity | NPC131466 |
0.8901 | High Similarity | NPC473472 |
0.8901 | High Similarity | NPC82955 |
0.89 | High Similarity | NPC220836 |
0.89 | High Similarity | NPC473817 |
0.89 | High Similarity | NPC94086 |
0.89 | High Similarity | NPC233433 |
0.89 | High Similarity | NPC92297 |
0.89 | High Similarity | NPC273002 |
0.883 | High Similarity | NPC473067 |
0.883 | High Similarity | NPC477494 |
0.883 | High Similarity | NPC473065 |
0.883 | High Similarity | NPC471429 |
0.883 | High Similarity | NPC471424 |
0.883 | High Similarity | NPC106701 |
0.883 | High Similarity | NPC205129 |
0.883 | High Similarity | NPC473064 |
0.883 | High Similarity | NPC189575 |
0.883 | High Similarity | NPC471425 |
0.883 | High Similarity | NPC92196 |
0.8812 | High Similarity | NPC470867 |
0.8804 | High Similarity | NPC279329 |
0.8804 | High Similarity | NPC223143 |
0.88 | High Similarity | NPC51172 |
0.88 | High Similarity | NPC475319 |
0.88 | High Similarity | NPC202898 |
0.88 | High Similarity | NPC125324 |
0.88 | High Similarity | NPC92890 |
0.88 | High Similarity | NPC49032 |
0.8763 | High Similarity | NPC476512 |
0.8763 | High Similarity | NPC472081 |
0.8763 | High Similarity | NPC108227 |
0.875 | High Similarity | NPC473638 |
0.8737 | High Similarity | NPC203434 |
0.8737 | High Similarity | NPC237071 |
0.8737 | High Similarity | NPC296936 |
0.8737 | High Similarity | NPC238796 |
0.8723 | High Similarity | NPC77717 |
0.8723 | High Similarity | NPC267238 |
0.8723 | High Similarity | NPC471373 |
0.8723 | High Similarity | NPC253611 |
0.8723 | High Similarity | NPC148593 |
0.8713 | High Similarity | NPC151134 |
0.871 | High Similarity | NPC36372 |
0.871 | High Similarity | NPC473637 |
0.871 | High Similarity | NPC476668 |
0.871 | High Similarity | NPC293609 |
0.8681 | High Similarity | NPC140446 |
0.8681 | High Similarity | NPC43912 |
0.8673 | High Similarity | NPC310031 |
0.8673 | High Similarity | NPC134967 |
0.8673 | High Similarity | NPC470029 |
0.8673 | High Similarity | NPC310138 |
0.8673 | High Similarity | NPC80191 |
0.8673 | High Similarity | NPC114700 |
0.8617 | High Similarity | NPC171741 |
0.8617 | High Similarity | NPC277774 |
0.8617 | High Similarity | NPC224003 |
0.8617 | High Similarity | NPC323231 |
0.8617 | High Similarity | NPC470623 |
0.8617 | High Similarity | NPC18724 |
0.8617 | High Similarity | NPC476669 |
0.86 | High Similarity | NPC215408 |
0.8586 | High Similarity | NPC139181 |
0.8586 | High Similarity | NPC476837 |
0.8586 | High Similarity | NPC97260 |
0.8571 | High Similarity | NPC476839 |
0.8571 | High Similarity | NPC477225 |
0.8571 | High Similarity | NPC476838 |
0.8556 | High Similarity | NPC227260 |
0.8544 | High Similarity | NPC92710 |
0.8526 | High Similarity | NPC475325 |
0.8526 | High Similarity | NPC473503 |
0.8526 | High Similarity | NPC30687 |
0.8515 | High Similarity | NPC54619 |
0.8511 | High Similarity | NPC59006 |
0.8469 | Intermediate Similarity | NPC20028 |
0.8469 | Intermediate Similarity | NPC471426 |
0.8469 | Intermediate Similarity | NPC471427 |
0.8469 | Intermediate Similarity | NPC471428 |
0.8462 | Intermediate Similarity | NPC31896 |
0.8462 | Intermediate Similarity | NPC273290 |
0.8462 | Intermediate Similarity | NPC232044 |
0.8462 | Intermediate Similarity | NPC210569 |
0.8462 | Intermediate Similarity | NPC32361 |
0.8462 | Intermediate Similarity | NPC244431 |
0.8462 | Intermediate Similarity | NPC263359 |
0.8462 | Intermediate Similarity | NPC290612 |
0.8447 | Intermediate Similarity | NPC23808 |
0.8447 | Intermediate Similarity | NPC224314 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC30856 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 |
---|---|---|---|
0.9663 | High Similarity | NPD8171 | Discontinued |
0.8687 | High Similarity | NPD8170 | Clinical (unspecified phase) |
0.8315 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7545 | Intermediate Similarity | NPD8133 | Approved |
0.7456 | Intermediate Similarity | NPD8377 | Approved |
0.7456 | Intermediate Similarity | NPD8294 | Approved |
0.7391 | Intermediate Similarity | NPD8296 | Approved |
0.7391 | Intermediate Similarity | NPD8335 | Approved |
0.7391 | Intermediate Similarity | NPD8380 | Approved |
0.7391 | Intermediate Similarity | NPD8379 | Approved |
0.7391 | Intermediate Similarity | NPD8378 | Approved |
0.7353 | Intermediate Similarity | NPD7991 | Discontinued |
0.7241 | Intermediate Similarity | NPD8033 | Approved |
0.6983 | Remote Similarity | NPD7327 | Approved |
0.6983 | Remote Similarity | NPD7328 | Approved |
0.6923 | Remote Similarity | NPD7516 | Approved |
0.688 | Remote Similarity | NPD8450 | Suspended |
0.6813 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.68 | Remote Similarity | NPD8449 | Approved |
0.6702 | Remote Similarity | NPD1810 | Approved |
0.6702 | Remote Similarity | NPD1811 | Approved |
0.6696 | Remote Similarity | NPD6412 | Phase 2 |
0.6585 | Remote Similarity | NPD7507 | Approved |
0.6579 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6529 | Remote Similarity | NPD7503 | Approved |
0.6525 | Remote Similarity | NPD6940 | Discontinued |
0.6491 | Remote Similarity | NPD8174 | Phase 2 |
0.6471 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD7319 | Approved |
0.6383 | Remote Similarity | NPD2686 | Approved |
0.6383 | Remote Similarity | NPD4787 | Phase 1 |
0.6383 | Remote Similarity | NPD2687 | Approved |
0.6383 | Remote Similarity | NPD2254 | Approved |
0.6349 | Remote Similarity | NPD7736 | Approved |
0.6292 | Remote Similarity | NPD6123 | Approved |
0.629 | Remote Similarity | NPD8328 | Phase 3 |
0.6275 | Remote Similarity | NPD3669 | Approved |
0.6275 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6263 | Remote Similarity | NPD6118 | Approved |
0.6263 | Remote Similarity | NPD6114 | Approved |
0.6263 | Remote Similarity | NPD6697 | Approved |
0.6263 | Remote Similarity | NPD6115 | Approved |
0.6211 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.621 | Remote Similarity | NPD6370 | Approved |
0.6162 | Remote Similarity | NPD6116 | Phase 1 |
0.6142 | Remote Similarity | NPD8293 | Discontinued |
0.6061 | Remote Similarity | NPD6117 | Approved |
0.6048 | Remote Similarity | NPD6054 | Approved |
0.6048 | Remote Similarity | NPD6059 | Approved |
0.602 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5979 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5979 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5932 | Remote Similarity | NPD6686 | Approved |
0.5914 | Remote Similarity | NPD371 | Approved |
0.5906 | Remote Similarity | NPD6067 | Discontinued |
0.5876 | Remote Similarity | NPD4245 | Approved |
0.5876 | Remote Similarity | NPD4244 | Approved |
0.5873 | Remote Similarity | NPD6016 | Approved |
0.5873 | Remote Similarity | NPD6015 | Approved |
0.5859 | Remote Similarity | NPD7492 | Approved |
0.5827 | Remote Similarity | NPD5988 | Approved |
0.5825 | Remote Similarity | NPD7525 | Registered |
0.5818 | Remote Similarity | NPD8034 | Phase 2 |
0.5818 | Remote Similarity | NPD8035 | Phase 2 |
0.5816 | Remote Similarity | NPD7625 | Phase 1 |
0.5814 | Remote Similarity | NPD6616 | Approved |
0.5812 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD3703 | Phase 2 |
0.58 | Remote Similarity | NPD3702 | Approved |
0.5773 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5773 | Remote Similarity | NPD3698 | Phase 2 |
0.5773 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD7078 | Approved |
0.5748 | Remote Similarity | NPD8517 | Approved |
0.5748 | Remote Similarity | NPD8515 | Approved |
0.5748 | Remote Similarity | NPD8516 | Approved |
0.569 | Remote Similarity | NPD1700 | Approved |
0.5667 | Remote Similarity | NPD2267 | Suspended |
0.5657 | Remote Similarity | NPD5777 | Approved |
0.5656 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD7638 | Approved |
0.5625 | Remote Similarity | NPD8513 | Phase 3 |
0.5619 | Remote Similarity | NPD1779 | Approved |
0.5619 | Remote Similarity | NPD1780 | Approved |
0.5618 | Remote Similarity | NPD7346 | Approved |
0.561 | Remote Similarity | NPD8297 | Approved |
0.561 | Remote Similarity | NPD6882 | Approved |
0.5606 | Remote Similarity | NPD6033 | Approved |
0.5603 | Remote Similarity | NPD7640 | Approved |
0.5603 | Remote Similarity | NPD7639 | Approved |
PubChem CID   | 162401 |
ChEMBL   | CHEMBL454566 |
ZINC   |
Molecular Weight:   | 1034.53 |
ALogP:   | -6.1361 |
MLogP:   | 4.54 |
XLogP:   | 1.401 |
# Rotatable Bonds:   | 27 |
Polar Surface Area:   | 335.06 |
# H-Bond Aceptor:   | 22 |
# H-Bond Donor:   | 12 |
# Rings:   | 10 |
# Heavy Atoms:   | 72 |