Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO24654 | Curculigo crassifolia | Species | Hypoxidaceae | Eukaryota | UNPD* | |||
NPO3843 | Rhododendron metternichii | Species | Ericaceae | Eukaryota | UNPD* | |||
NPO24562 | Saussurea petrovii | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO25930 | Cystoseira balearica | Species | Sargassaceae | Eukaryota | UNPD* | |||
NPO26421 | Urtica laetevirens | Species | Urticaceae | Eukaryota | UNPD* | |||
NPO25544 | Encyclia michuacana | Species | Orchidaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 17 | ug/ml | 16252918 |
NPT396 | Cell Line | T47D | Homo sapiens | IC50 | = | 25.8 | ug/ml | 16252918 |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | IC50 | = | 25.5 | ug/ml | 16252918 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | = | 12.5 | ug/ml | 16252918 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 7.6 | ug/ml | 16252918 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | = | 21 | % | 16252918 |
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 NPC10572 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 |
---|---|---|
0.8442 | Intermediate Similarity | NPC68156 |
0.8312 | Intermediate Similarity | NPC123360 |
0.8125 | Intermediate Similarity | NPC281132 |
0.8082 | Intermediate Similarity | NPC248125 |
0.8052 | Intermediate Similarity | NPC474758 |
0.8052 | Intermediate Similarity | NPC476355 |
0.8026 | Intermediate Similarity | NPC84038 |
0.8 | Intermediate Similarity | NPC476591 |
0.8 | Intermediate Similarity | NPC88877 |
0.8 | Intermediate Similarity | NPC178277 |
0.7973 | Intermediate Similarity | NPC194871 |
0.7922 | Intermediate Similarity | NPC474705 |
0.7867 | Intermediate Similarity | NPC470256 |
0.7821 | Intermediate Similarity | NPC259599 |
0.7821 | Intermediate Similarity | NPC117746 |
0.7821 | Intermediate Similarity | NPC15499 |
0.7821 | Intermediate Similarity | NPC294434 |
0.7821 | Intermediate Similarity | NPC140287 |
0.7805 | Intermediate Similarity | NPC471325 |
0.7792 | Intermediate Similarity | NPC163003 |
0.7778 | Intermediate Similarity | NPC270126 |
0.7778 | Intermediate Similarity | NPC151648 |
0.775 | Intermediate Similarity | NPC476028 |
0.775 | Intermediate Similarity | NPC57744 |
0.775 | Intermediate Similarity | NPC141789 |
0.775 | Intermediate Similarity | NPC171204 |
0.775 | Intermediate Similarity | NPC97516 |
0.7733 | Intermediate Similarity | NPC203335 |
0.7722 | Intermediate Similarity | NPC329852 |
0.7711 | Intermediate Similarity | NPC173609 |
0.7654 | Intermediate Similarity | NPC108816 |
0.7654 | Intermediate Similarity | NPC93763 |
0.7654 | Intermediate Similarity | NPC128276 |
0.7632 | Intermediate Similarity | NPC218477 |
0.7619 | Intermediate Similarity | NPC59097 |
0.7619 | Intermediate Similarity | NPC475947 |
0.7614 | Intermediate Similarity | NPC475995 |
0.7614 | Intermediate Similarity | NPC474098 |
0.7614 | Intermediate Similarity | NPC80875 |
0.7586 | Intermediate Similarity | NPC471057 |
0.7586 | Intermediate Similarity | NPC471058 |
0.75 | Intermediate Similarity | NPC150967 |
0.7468 | Intermediate Similarity | NPC58956 |
0.7468 | Intermediate Similarity | NPC269206 |
0.7468 | Intermediate Similarity | NPC295633 |
0.7442 | Intermediate Similarity | NPC471060 |
0.7442 | Intermediate Similarity | NPC215364 |
0.7439 | Intermediate Similarity | NPC299235 |
0.7436 | Intermediate Similarity | NPC475113 |
0.7436 | Intermediate Similarity | NPC299932 |
0.7436 | Intermediate Similarity | NPC67183 |
0.7432 | Intermediate Similarity | NPC474658 |
0.7412 | Intermediate Similarity | NPC40746 |
0.7412 | Intermediate Similarity | NPC169575 |
0.7381 | Intermediate Similarity | NPC325031 |
0.7381 | Intermediate Similarity | NPC141810 |
0.7381 | Intermediate Similarity | NPC301477 |
0.7381 | Intermediate Similarity | NPC42470 |
0.7381 | Intermediate Similarity | NPC281949 |
0.7381 | Intermediate Similarity | NPC25684 |
0.7375 | Intermediate Similarity | NPC114727 |
0.7375 | Intermediate Similarity | NPC476590 |
0.7356 | Intermediate Similarity | NPC284902 |
0.7356 | Intermediate Similarity | NPC150755 |
0.7356 | Intermediate Similarity | NPC107787 |
0.7349 | Intermediate Similarity | NPC471299 |
0.7342 | Intermediate Similarity | NPC186531 |
0.7326 | Intermediate Similarity | NPC115786 |
0.7326 | Intermediate Similarity | NPC41856 |
0.7326 | Intermediate Similarity | NPC474865 |
0.7317 | Intermediate Similarity | NPC470240 |
0.7317 | Intermediate Similarity | NPC7563 |
0.7317 | Intermediate Similarity | NPC187568 |
0.7317 | Intermediate Similarity | NPC320630 |
0.7317 | Intermediate Similarity | NPC41780 |
0.7317 | Intermediate Similarity | NPC476794 |
0.7317 | Intermediate Similarity | NPC116177 |
0.7303 | Intermediate Similarity | NPC64913 |
0.7303 | Intermediate Similarity | NPC242877 |
0.7294 | Intermediate Similarity | NPC35556 |
0.7284 | Intermediate Similarity | NPC469414 |
0.7284 | Intermediate Similarity | NPC329826 |
0.7273 | Intermediate Similarity | NPC472266 |
0.7273 | Intermediate Similarity | NPC160138 |
0.7273 | Intermediate Similarity | NPC475703 |
0.7241 | Intermediate Similarity | NPC78089 |
0.7241 | Intermediate Similarity | NPC470755 |
0.7237 | Intermediate Similarity | NPC470688 |
0.7229 | Intermediate Similarity | NPC267231 |
0.7229 | Intermediate Similarity | NPC472960 |
0.7215 | Intermediate Similarity | NPC469660 |
0.7209 | Intermediate Similarity | NPC131669 |
0.7209 | Intermediate Similarity | NPC473390 |
0.7209 | Intermediate Similarity | NPC116543 |
0.72 | Intermediate Similarity | NPC68110 |
0.7195 | Intermediate Similarity | NPC68819 |
0.7195 | Intermediate Similarity | NPC235906 |
0.7191 | Intermediate Similarity | NPC469628 |
0.7191 | Intermediate Similarity | NPC475739 |
0.7191 | Intermediate Similarity | NPC471047 |
0.7191 | Intermediate Similarity | NPC475902 |
0.7191 | Intermediate Similarity | NPC475906 |
0.7191 | Intermediate Similarity | NPC469653 |
0.7191 | Intermediate Similarity | NPC469631 |
0.7179 | Intermediate Similarity | NPC276290 |
0.7176 | Intermediate Similarity | NPC24417 |
0.7174 | Intermediate Similarity | NPC474338 |
0.716 | Intermediate Similarity | NPC188354 |
0.7159 | Intermediate Similarity | NPC469483 |
0.7159 | Intermediate Similarity | NPC305475 |
0.7159 | Intermediate Similarity | NPC475461 |
0.7159 | Intermediate Similarity | NPC261721 |
0.7143 | Intermediate Similarity | NPC99651 |
0.7143 | Intermediate Similarity | NPC167881 |
0.7143 | Intermediate Similarity | NPC98557 |
0.7143 | Intermediate Similarity | NPC617 |
0.7143 | Intermediate Similarity | NPC141831 |
0.7128 | Intermediate Similarity | NPC471462 |
0.7126 | Intermediate Similarity | NPC476804 |
0.7126 | Intermediate Similarity | NPC158756 |
0.7125 | Intermediate Similarity | NPC269103 |
0.7125 | Intermediate Similarity | NPC124072 |
0.7111 | Intermediate Similarity | NPC295312 |
0.7108 | Intermediate Similarity | NPC65603 |
0.7093 | Intermediate Similarity | NPC229825 |
0.7093 | Intermediate Similarity | NPC475046 |
0.7093 | Intermediate Similarity | NPC474959 |
0.7093 | Intermediate Similarity | NPC310450 |
0.7093 | Intermediate Similarity | NPC11383 |
0.7089 | Intermediate Similarity | NPC265574 |
0.7083 | Intermediate Similarity | NPC245002 |
0.7073 | Intermediate Similarity | NPC226669 |
0.7073 | Intermediate Similarity | NPC138408 |
0.7073 | Intermediate Similarity | NPC155587 |
0.7073 | Intermediate Similarity | NPC193351 |
0.7059 | Intermediate Similarity | NPC223904 |
0.7059 | Intermediate Similarity | NPC302426 |
0.7053 | Intermediate Similarity | NPC279561 |
0.7045 | Intermediate Similarity | NPC474424 |
0.7045 | Intermediate Similarity | NPC130030 |
0.7045 | Intermediate Similarity | NPC255307 |
0.7037 | Intermediate Similarity | NPC222244 |
0.7037 | Intermediate Similarity | NPC287878 |
0.7037 | Intermediate Similarity | NPC16349 |
0.7033 | Intermediate Similarity | NPC232426 |
0.7033 | Intermediate Similarity | NPC281942 |
0.7027 | Intermediate Similarity | NPC286189 |
0.7024 | Intermediate Similarity | NPC471465 |
0.7024 | Intermediate Similarity | NPC471220 |
0.7024 | Intermediate Similarity | NPC196653 |
0.7013 | Intermediate Similarity | NPC282760 |
0.7013 | Intermediate Similarity | NPC131174 |
0.7011 | Intermediate Similarity | NPC229799 |
0.7011 | Intermediate Similarity | NPC193198 |
0.7011 | Intermediate Similarity | NPC286770 |
0.7011 | Intermediate Similarity | NPC53867 |
0.7011 | Intermediate Similarity | NPC318468 |
0.7011 | Intermediate Similarity | NPC474703 |
0.7011 | Intermediate Similarity | NPC475714 |
0.7011 | Intermediate Similarity | NPC284472 |
0.7 | Intermediate Similarity | NPC475819 |
0.7 | Intermediate Similarity | NPC226863 |
0.7 | Intermediate Similarity | NPC476805 |
0.6989 | Remote Similarity | NPC473316 |
0.6989 | Remote Similarity | NPC475832 |
0.6989 | Remote Similarity | NPC473330 |
0.6989 | Remote Similarity | NPC475927 |
0.6989 | Remote Similarity | NPC470521 |
0.6989 | Remote Similarity | NPC140543 |
0.6988 | Remote Similarity | NPC27205 |
0.6979 | Remote Similarity | NPC469402 |
0.6979 | Remote Similarity | NPC473219 |
0.6979 | Remote Similarity | NPC470761 |
0.6977 | Remote Similarity | NPC275507 |
0.6974 | Remote Similarity | NPC179087 |
0.6974 | Remote Similarity | NPC44343 |
0.6974 | Remote Similarity | NPC210303 |
0.6966 | Remote Similarity | NPC469910 |
0.6966 | Remote Similarity | NPC50637 |
0.6957 | Remote Similarity | NPC175842 |
0.6957 | Remote Similarity | NPC32494 |
0.6957 | Remote Similarity | NPC473707 |
0.6957 | Remote Similarity | NPC471059 |
0.6941 | Remote Similarity | NPC182550 |
0.6941 | Remote Similarity | NPC472965 |
0.6941 | Remote Similarity | NPC264227 |
0.6941 | Remote Similarity | NPC63649 |
0.6941 | Remote Similarity | NPC473981 |
0.6941 | Remote Similarity | NPC473980 |
0.6933 | Remote Similarity | NPC79756 |
0.6932 | Remote Similarity | NPC149869 |
0.6932 | Remote Similarity | NPC475100 |
0.6932 | Remote Similarity | NPC163093 |
0.6932 | Remote Similarity | NPC159635 |
0.6932 | Remote Similarity | NPC191476 |
0.6932 | Remote Similarity | NPC114979 |
0.6932 | Remote Similarity | NPC82297 |
0.6932 | Remote Similarity | NPC141193 |
0.6932 | Remote Similarity | NPC96259 |
0.6932 | Remote Similarity | NPC31086 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC10572 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 |
---|---|---|---|
0.6897 | Remote Similarity | NPD5209 | Approved |
0.6897 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6795 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6556 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6489 | Remote Similarity | NPD46 | Approved |
0.6489 | Remote Similarity | NPD6698 | Approved |
0.6484 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6444 | Remote Similarity | NPD7154 | Phase 3 |
0.6392 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6389 | Remote Similarity | NPD6927 | Phase 3 |
0.6383 | Remote Similarity | NPD1695 | Approved |
0.6346 | Remote Similarity | NPD6686 | Approved |
0.6316 | Remote Similarity | NPD5785 | Approved |
0.6304 | Remote Similarity | NPD1694 | Approved |
0.6292 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6264 | Remote Similarity | NPD5362 | Discontinued |
0.62 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6146 | Remote Similarity | NPD7838 | Discovery |
0.6129 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6129 | Remote Similarity | NPD5363 | Approved |
0.6095 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6092 | Remote Similarity | NPD8039 | Approved |
0.6067 | Remote Similarity | NPD4271 | Approved |
0.6067 | Remote Similarity | NPD4268 | Approved |
0.6064 | Remote Similarity | NPD4249 | Approved |
0.604 | Remote Similarity | NPD4225 | Approved |
0.6 | Remote Similarity | NPD4250 | Approved |
0.6 | Remote Similarity | NPD4251 | Approved |
0.5955 | Remote Similarity | NPD4756 | Discovery |
0.5934 | Remote Similarity | NPD4819 | Approved |
0.5934 | Remote Similarity | NPD4820 | Approved |
0.5934 | Remote Similarity | NPD4252 | Approved |
0.5934 | Remote Similarity | NPD4821 | Approved |
0.5934 | Remote Similarity | NPD4822 | Approved |
0.5914 | Remote Similarity | NPD5332 | Approved |
0.5914 | Remote Similarity | NPD5331 | Approved |
0.5889 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD4790 | Discontinued |
0.5842 | Remote Similarity | NPD7839 | Suspended |
0.5833 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD4270 | Approved |
0.5806 | Remote Similarity | NPD6435 | Approved |
0.5806 | Remote Similarity | NPD4269 | Approved |
0.578 | Remote Similarity | NPD6371 | Approved |
0.5773 | Remote Similarity | NPD6903 | Approved |
0.5763 | Remote Similarity | NPD7507 | Approved |
0.5758 | Remote Similarity | NPD7983 | Approved |
0.5753 | Remote Similarity | NPD5343 | Approved |
0.5729 | Remote Similarity | NPD7334 | Approved |
0.5729 | Remote Similarity | NPD6684 | Approved |
0.5729 | Remote Similarity | NPD5330 | Approved |
0.5729 | Remote Similarity | NPD6409 | Approved |
0.5729 | Remote Similarity | NPD5786 | Approved |
0.5729 | Remote Similarity | NPD7146 | Approved |
0.5729 | Remote Similarity | NPD7521 | Approved |
0.5728 | Remote Similarity | NPD7638 | Approved |
0.5727 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.57 | Remote Similarity | NPD5779 | Approved |
0.57 | Remote Similarity | NPD5778 | Approved |
0.5699 | Remote Similarity | NPD5369 | Approved |
0.5694 | Remote Similarity | NPD3174 | Discontinued |
0.5679 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD6053 | Discontinued |
0.5673 | Remote Similarity | NPD7639 | Approved |
0.5673 | Remote Similarity | NPD7640 | Approved |
0.562 | Remote Similarity | NPD7319 | Approved |
0.5612 | Remote Similarity | NPD5737 | Approved |
0.5612 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD6672 | Approved |
0.56 | Remote Similarity | NPD5693 | Phase 1 |
0.56 | Remote Similarity | NPD7637 | Suspended |
PubChem CID   | 11624964 |
ChEMBL   | CHEMBL463760 |
ZINC   |
Molecular Weight:   | 374.17 |
ALogP:   | 3.0628 |
MLogP:   | 3.11 |
XLogP:   | 2.034 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 78.9 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 27 |