Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 4.3 | ug/ml | 12662102 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | ED50 | = | 3.9 | ug/ml | 12662102 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 3.4 | ug/ml | 12662102 |
NPT574 | Cell Line | XF498 | Homo sapiens | ED50 | = | 4.1 | ug/ml | 12662102 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | ED50 | = | 4.8 | ug/ml | 12662102 |
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 NPC329819 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 |
---|---|---|
0.9444 | High Similarity | NPC477984 |
0.8704 | High Similarity | NPC48162 |
0.8276 | Intermediate Similarity | NPC187777 |
0.8276 | Intermediate Similarity | NPC179764 |
0.8197 | Intermediate Similarity | NPC125312 |
0.8197 | Intermediate Similarity | NPC174560 |
0.8182 | Intermediate Similarity | NPC477981 |
0.8182 | Intermediate Similarity | NPC477983 |
0.8182 | Intermediate Similarity | NPC59051 |
0.8103 | Intermediate Similarity | NPC473863 |
0.8103 | Intermediate Similarity | NPC54766 |
0.8103 | Intermediate Similarity | NPC274290 |
0.8103 | Intermediate Similarity | NPC45626 |
0.8036 | Intermediate Similarity | NPC284212 |
0.8036 | Intermediate Similarity | NPC28205 |
0.7969 | Intermediate Similarity | NPC477982 |
0.7963 | Intermediate Similarity | NPC42304 |
0.7895 | Intermediate Similarity | NPC129458 |
0.7895 | Intermediate Similarity | NPC92114 |
0.7833 | Intermediate Similarity | NPC225929 |
0.7818 | Intermediate Similarity | NPC91495 |
0.7778 | Intermediate Similarity | NPC117572 |
0.7759 | Intermediate Similarity | NPC36061 |
0.7759 | Intermediate Similarity | NPC294548 |
0.7759 | Intermediate Similarity | NPC1813 |
0.7759 | Intermediate Similarity | NPC139029 |
0.7759 | Intermediate Similarity | NPC225066 |
0.7759 | Intermediate Similarity | NPC10081 |
0.7727 | Intermediate Similarity | NPC476614 |
0.7727 | Intermediate Similarity | NPC477980 |
0.7714 | Intermediate Similarity | NPC470899 |
0.7679 | Intermediate Similarity | NPC5413 |
0.7679 | Intermediate Similarity | NPC149821 |
0.7656 | Intermediate Similarity | NPC234767 |
0.7627 | Intermediate Similarity | NPC25417 |
0.7627 | Intermediate Similarity | NPC281972 |
0.7627 | Intermediate Similarity | NPC85813 |
0.7627 | Intermediate Similarity | NPC32467 |
0.7627 | Intermediate Similarity | NPC261831 |
0.7627 | Intermediate Similarity | NPC88966 |
0.7627 | Intermediate Similarity | NPC424 |
0.7627 | Intermediate Similarity | NPC6095 |
0.7627 | Intermediate Similarity | NPC290563 |
0.7627 | Intermediate Similarity | NPC154245 |
0.7627 | Intermediate Similarity | NPC87564 |
0.7586 | Intermediate Similarity | NPC281245 |
0.7586 | Intermediate Similarity | NPC303765 |
0.7586 | Intermediate Similarity | NPC18357 |
0.75 | Intermediate Similarity | NPC474672 |
0.75 | Intermediate Similarity | NPC322457 |
0.75 | Intermediate Similarity | NPC67367 |
0.75 | Intermediate Similarity | NPC207292 |
0.7463 | Intermediate Similarity | NPC273508 |
0.7463 | Intermediate Similarity | NPC209327 |
0.746 | Intermediate Similarity | NPC235242 |
0.7458 | Intermediate Similarity | NPC321062 |
0.7458 | Intermediate Similarity | NPC70387 |
0.7419 | Intermediate Similarity | NPC267817 |
0.7414 | Intermediate Similarity | NPC470410 |
0.7414 | Intermediate Similarity | NPC470412 |
0.7385 | Intermediate Similarity | NPC34883 |
0.7377 | Intermediate Similarity | NPC18951 |
0.7377 | Intermediate Similarity | NPC477201 |
0.7313 | Intermediate Similarity | NPC60120 |
0.7297 | Intermediate Similarity | NPC200446 |
0.7288 | Intermediate Similarity | NPC216407 |
0.7286 | Intermediate Similarity | NPC321017 |
0.726 | Intermediate Similarity | NPC469495 |
0.7246 | Intermediate Similarity | NPC318766 |
0.7241 | Intermediate Similarity | NPC224227 |
0.7206 | Intermediate Similarity | NPC53302 |
0.7183 | Intermediate Similarity | NPC3753 |
0.7183 | Intermediate Similarity | NPC237591 |
0.7183 | Intermediate Similarity | NPC103958 |
0.7183 | Intermediate Similarity | NPC476046 |
0.7183 | Intermediate Similarity | NPC241854 |
0.7183 | Intermediate Similarity | NPC283908 |
0.7183 | Intermediate Similarity | NPC161923 |
0.7183 | Intermediate Similarity | NPC251970 |
0.7183 | Intermediate Similarity | NPC183503 |
0.7183 | Intermediate Similarity | NPC55527 |
0.7164 | Intermediate Similarity | NPC308294 |
0.7164 | Intermediate Similarity | NPC142423 |
0.7162 | Intermediate Similarity | NPC209995 |
0.7143 | Intermediate Similarity | NPC160817 |
0.7143 | Intermediate Similarity | NPC288667 |
0.7121 | Intermediate Similarity | NPC226592 |
0.7121 | Intermediate Similarity | NPC470320 |
0.7119 | Intermediate Similarity | NPC262968 |
0.7097 | Intermediate Similarity | NPC325977 |
0.7091 | Intermediate Similarity | NPC270796 |
0.7083 | Intermediate Similarity | NPC68624 |
0.7083 | Intermediate Similarity | NPC279666 |
0.7083 | Intermediate Similarity | NPC476844 |
0.7083 | Intermediate Similarity | NPC192540 |
0.7059 | Intermediate Similarity | NPC472875 |
0.7049 | Intermediate Similarity | NPC322461 |
0.7049 | Intermediate Similarity | NPC137538 |
0.7031 | Intermediate Similarity | NPC106851 |
0.7031 | Intermediate Similarity | NPC274927 |
0.7 | Intermediate Similarity | NPC170167 |
0.7 | Intermediate Similarity | NPC161366 |
0.6986 | Remote Similarity | NPC279537 |
0.6986 | Remote Similarity | NPC69143 |
0.6986 | Remote Similarity | NPC469514 |
0.6944 | Remote Similarity | NPC301065 |
0.6935 | Remote Similarity | NPC52264 |
0.6923 | Remote Similarity | NPC251042 |
0.6923 | Remote Similarity | NPC122521 |
0.6923 | Remote Similarity | NPC243532 |
0.6923 | Remote Similarity | NPC174447 |
0.6912 | Remote Similarity | NPC197089 |
0.6901 | Remote Similarity | NPC319163 |
0.6901 | Remote Similarity | NPC126061 |
0.6901 | Remote Similarity | NPC67076 |
0.6897 | Remote Similarity | NPC180534 |
0.6892 | Remote Similarity | NPC281296 |
0.6885 | Remote Similarity | NPC39633 |
0.6885 | Remote Similarity | NPC139545 |
0.6885 | Remote Similarity | NPC284224 |
0.6885 | Remote Similarity | NPC309606 |
0.6875 | Remote Similarity | NPC469373 |
0.6857 | Remote Similarity | NPC67608 |
0.6849 | Remote Similarity | NPC81052 |
0.6849 | Remote Similarity | NPC199445 |
0.6849 | Remote Similarity | NPC201027 |
0.6833 | Remote Similarity | NPC244452 |
0.6833 | Remote Similarity | NPC178586 |
0.6825 | Remote Similarity | NPC473733 |
0.6825 | Remote Similarity | NPC327388 |
0.6818 | Remote Similarity | NPC320305 |
0.6818 | Remote Similarity | NPC201939 |
0.6818 | Remote Similarity | NPC321838 |
0.6818 | Remote Similarity | NPC328776 |
0.6818 | Remote Similarity | NPC40082 |
0.6812 | Remote Similarity | NPC278895 |
0.6806 | Remote Similarity | NPC35656 |
0.68 | Remote Similarity | NPC179028 |
0.68 | Remote Similarity | NPC121200 |
0.68 | Remote Similarity | NPC192006 |
0.68 | Remote Similarity | NPC218817 |
0.68 | Remote Similarity | NPC11796 |
0.6774 | Remote Similarity | NPC87394 |
0.6761 | Remote Similarity | NPC67183 |
0.6757 | Remote Similarity | NPC61863 |
0.6757 | Remote Similarity | NPC110461 |
0.6757 | Remote Similarity | NPC309399 |
0.6757 | Remote Similarity | NPC12740 |
0.6757 | Remote Similarity | NPC180886 |
0.6719 | Remote Similarity | NPC211752 |
0.6719 | Remote Similarity | NPC165808 |
0.6719 | Remote Similarity | NPC323498 |
0.6719 | Remote Similarity | NPC323597 |
0.6719 | Remote Similarity | NPC323436 |
0.6716 | Remote Similarity | NPC29697 |
0.6716 | Remote Similarity | NPC155849 |
0.6712 | Remote Similarity | NPC472966 |
0.6712 | Remote Similarity | NPC213223 |
0.6667 | Remote Similarity | NPC10316 |
0.6667 | Remote Similarity | NPC327112 |
0.6667 | Remote Similarity | NPC471897 |
0.6667 | Remote Similarity | NPC200845 |
0.6667 | Remote Similarity | NPC329773 |
0.6667 | Remote Similarity | NPC165711 |
0.6667 | Remote Similarity | NPC100719 |
0.6667 | Remote Similarity | NPC61952 |
0.6667 | Remote Similarity | NPC28779 |
0.6667 | Remote Similarity | NPC240170 |
0.6667 | Remote Similarity | NPC126899 |
0.6667 | Remote Similarity | NPC108195 |
0.6667 | Remote Similarity | NPC46151 |
0.6667 | Remote Similarity | NPC166791 |
0.6667 | Remote Similarity | NPC322035 |
0.6667 | Remote Similarity | NPC128061 |
0.6667 | Remote Similarity | NPC471899 |
0.6667 | Remote Similarity | NPC3531 |
0.6667 | Remote Similarity | NPC289388 |
0.6667 | Remote Similarity | NPC228473 |
0.6667 | Remote Similarity | NPC223677 |
0.6667 | Remote Similarity | NPC107039 |
0.6667 | Remote Similarity | NPC328311 |
0.6667 | Remote Similarity | NPC304665 |
0.6667 | Remote Similarity | NPC120776 |
0.6667 | Remote Similarity | NPC107668 |
0.6667 | Remote Similarity | NPC154728 |
0.6667 | Remote Similarity | NPC29328 |
0.6622 | Remote Similarity | NPC329852 |
0.6622 | Remote Similarity | NPC476795 |
0.662 | Remote Similarity | NPC265574 |
0.662 | Remote Similarity | NPC469914 |
0.662 | Remote Similarity | NPC199557 |
0.662 | Remote Similarity | NPC101622 |
0.6618 | Remote Similarity | NPC53642 |
0.6618 | Remote Similarity | NPC68343 |
0.6618 | Remote Similarity | NPC328089 |
0.6618 | Remote Similarity | NPC470325 |
0.6618 | Remote Similarity | NPC469723 |
0.6615 | Remote Similarity | NPC34416 |
0.6613 | Remote Similarity | NPC71761 |
0.661 | Remote Similarity | NPC477878 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC329819 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 |
---|---|---|---|
0.7778 | Intermediate Similarity | NPD4222 | Approved |
0.7759 | Intermediate Similarity | NPD3172 | Approved |
0.7679 | Intermediate Similarity | NPD3173 | Approved |
0.7627 | Intermediate Similarity | NPD4266 | Approved |
0.7627 | Intermediate Similarity | NPD3196 | Approved |
0.7627 | Intermediate Similarity | NPD3195 | Phase 2 |
0.7627 | Intermediate Similarity | NPD3194 | Approved |
0.7455 | Intermediate Similarity | NPD39 | Approved |
0.7143 | Intermediate Similarity | NPD3174 | Discontinued |
0.7119 | Intermediate Similarity | NPD28 | Approved |
0.7119 | Intermediate Similarity | NPD29 | Approved |
0.7091 | Intermediate Similarity | NPD5326 | Phase 3 |
0.7013 | Intermediate Similarity | NPD5331 | Approved |
0.7013 | Intermediate Similarity | NPD5332 | Approved |
0.6897 | Remote Similarity | NPD622 | Approved |
0.6852 | Remote Similarity | NPD9635 | Discontinued |
0.68 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7331 | Phase 2 |
0.6667 | Remote Similarity | NPD9450 | Approved |
0.6667 | Remote Similarity | NPD77 | Approved |
0.6667 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6623 | Remote Similarity | NPD5368 | Approved |
0.6623 | Remote Similarity | NPD4820 | Approved |
0.6623 | Remote Similarity | NPD4822 | Approved |
0.6623 | Remote Similarity | NPD4819 | Approved |
0.6623 | Remote Similarity | NPD4821 | Approved |
0.6618 | Remote Similarity | NPD3197 | Phase 1 |
0.661 | Remote Similarity | NPD5343 | Approved |
0.6579 | Remote Similarity | NPD4271 | Approved |
0.6579 | Remote Similarity | NPD4268 | Approved |
0.6567 | Remote Similarity | NPD4194 | Approved |
0.6567 | Remote Similarity | NPD4193 | Approved |
0.6567 | Remote Similarity | NPD4191 | Approved |
0.6567 | Remote Similarity | NPD4192 | Approved |
0.6552 | Remote Similarity | NPD634 | Phase 3 |
0.6538 | Remote Similarity | NPD5369 | Approved |
0.6456 | Remote Similarity | NPD6435 | Approved |
0.6456 | Remote Similarity | NPD4269 | Approved |
0.6456 | Remote Similarity | NPD4270 | Approved |
0.642 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.641 | Remote Similarity | NPD4252 | Approved |
0.641 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6375 | Remote Similarity | NPD7154 | Phase 3 |
0.6375 | Remote Similarity | NPD5362 | Discontinued |
0.6364 | Remote Similarity | NPD3732 | Approved |
0.6329 | Remote Similarity | NPD4790 | Discontinued |
0.6286 | Remote Similarity | NPD7341 | Phase 2 |
0.622 | Remote Similarity | NPD5363 | Approved |
0.619 | Remote Similarity | NPD3186 | Phase 1 |
0.6184 | Remote Similarity | NPD8039 | Approved |
0.6145 | Remote Similarity | NPD4519 | Discontinued |
0.6145 | Remote Similarity | NPD5786 | Approved |
0.6145 | Remote Similarity | NPD4623 | Approved |
0.6125 | Remote Similarity | NPD857 | Phase 3 |
0.6119 | Remote Similarity | NPD6109 | Phase 1 |
0.6102 | Remote Similarity | NPD6096 | Approved |
0.6102 | Remote Similarity | NPD6097 | Approved |
0.6056 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4518 | Approved |
0.5968 | Remote Similarity | NPD4220 | Pre-registration |
0.5952 | Remote Similarity | NPD4249 | Approved |
0.5952 | Remote Similarity | NPD4688 | Approved |
0.5952 | Remote Similarity | NPD4689 | Approved |
0.5952 | Remote Similarity | NPD5205 | Approved |
0.5952 | Remote Similarity | NPD4690 | Approved |
0.5952 | Remote Similarity | NPD4138 | Approved |
0.5952 | Remote Similarity | NPD4693 | Phase 3 |
0.593 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.593 | Remote Similarity | NPD5346 | Phase 2 |
0.593 | Remote Similarity | NPD5347 | Phase 2 |
0.593 | Remote Similarity | NPD6101 | Approved |
0.5926 | Remote Similarity | NPD9447 | Approved |
0.5915 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5904 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.589 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD4251 | Approved |
0.5882 | Remote Similarity | NPD4250 | Approved |
0.5862 | Remote Similarity | NPD5785 | Approved |
0.5814 | Remote Similarity | NPD5208 | Approved |
0.5802 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD4695 | Discontinued |
0.5795 | Remote Similarity | NPD6411 | Approved |
0.5795 | Remote Similarity | NPD5281 | Approved |
0.5795 | Remote Similarity | NPD7983 | Approved |
0.5795 | Remote Similarity | NPD5284 | Approved |
0.5781 | Remote Similarity | NPD6927 | Phase 3 |
0.5775 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.5747 | Remote Similarity | NPD5370 | Suspended |
0.5747 | Remote Similarity | NPD800 | Approved |
0.5732 | Remote Similarity | NPD4692 | Approved |
0.5732 | Remote Similarity | NPD4139 | Approved |
0.573 | Remote Similarity | NPD5779 | Approved |
0.573 | Remote Similarity | NPD5778 | Approved |
0.5714 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD4793 | Discontinued |
0.5682 | Remote Similarity | NPD1089 | Approved |
0.5682 | Remote Similarity | NPD1090 | Approved |
0.5682 | Remote Similarity | NPD46 | Approved |
0.5682 | Remote Similarity | NPD1086 | Approved |
0.5682 | Remote Similarity | NPD6698 | Approved |
0.5672 | Remote Similarity | NPD342 | Phase 1 |
0.5667 | Remote Similarity | NPD5122 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD4221 | Approved |
0.5663 | Remote Similarity | NPD5209 | Approved |
0.5663 | Remote Similarity | NPD3667 | Approved |
0.5663 | Remote Similarity | NPD4223 | Phase 3 |
0.5663 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5634 | Remote Similarity | NPD368 | Approved |
0.5625 | Remote Similarity | NPD4756 | Discovery |
0.5618 | Remote Similarity | NPD7637 | Suspended |
0.5618 | Remote Similarity | NPD7515 | Phase 2 |
0.5618 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
PubChem CID   | 10469489 |
ChEMBL   | CHEMBL478780 |
ZINC   |
Molecular Weight:   | 290.22 |
ALogP:   | 1.6269 |
MLogP:   | 3.33 |
XLogP:   | 7.526 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |