Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO27197 | Platycladi semen | NA | NA | NA | TCMSP* | |||
NPO11172 | Lepidii semen descurainiae semen | NA | NA | NA | TCMSP* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[20671299] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[22411374] |
||
NPO18311 | Carthamus tinctorius | Species | Asteraceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT677 | Individual Protein | Coagulation factor III | Homo sapiens | IC50 | = | 100000 | nM | 9834151 |
NPT863 | Individual Protein | Trypsin | Sus scrofa | IC50 | > | 200000 | nM | 9834151 |
NPT4030 | Individual Protein | Oxoeicosanoid receptor 1 | Homo sapiens | IC50 | = | 2000 | nM | 24351031 |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 3162.3 | nM | PubChem BioAssay data set |
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 NPC88966 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 | NPC261831 |
1.0 | High Similarity | NPC290563 |
1.0 | High Similarity | NPC25417 |
1.0 | High Similarity | NPC154245 |
1.0 | High Similarity | NPC32467 |
1.0 | High Similarity | NPC6095 |
1.0 | High Similarity | NPC424 |
1.0 | High Similarity | NPC85813 |
1.0 | High Similarity | NPC87564 |
1.0 | High Similarity | NPC281972 |
0.98 | High Similarity | NPC139029 |
0.98 | High Similarity | NPC321062 |
0.98 | High Similarity | NPC294548 |
0.98 | High Similarity | NPC70387 |
0.98 | High Similarity | NPC1813 |
0.98 | High Similarity | NPC36061 |
0.9615 | High Similarity | NPC477201 |
0.9615 | High Similarity | NPC18951 |
0.96 | High Similarity | NPC281245 |
0.96 | High Similarity | NPC92114 |
0.94 | High Similarity | NPC262968 |
0.9245 | High Similarity | NPC179764 |
0.9245 | High Similarity | NPC187777 |
0.92 | High Similarity | NPC224227 |
0.92 | High Similarity | NPC59051 |
0.9091 | High Similarity | NPC274927 |
0.9091 | High Similarity | NPC106851 |
0.9074 | High Similarity | NPC225929 |
0.9057 | High Similarity | NPC274290 |
0.9057 | High Similarity | NPC54766 |
0.9057 | High Similarity | NPC473863 |
0.9038 | High Similarity | NPC39633 |
0.9038 | High Similarity | NPC139545 |
0.9038 | High Similarity | NPC309606 |
0.9 | High Similarity | NPC5413 |
0.9 | High Similarity | NPC149821 |
0.8929 | High Similarity | NPC243532 |
0.88 | High Similarity | NPC207292 |
0.88 | High Similarity | NPC180534 |
0.88 | High Similarity | NPC91495 |
0.8772 | High Similarity | NPC201939 |
0.8704 | High Similarity | NPC28779 |
0.8704 | High Similarity | NPC10316 |
0.8704 | High Similarity | NPC128061 |
0.8704 | High Similarity | NPC228473 |
0.8704 | High Similarity | NPC200845 |
0.8704 | High Similarity | NPC223677 |
0.8596 | High Similarity | NPC122521 |
0.8596 | High Similarity | NPC174447 |
0.8596 | High Similarity | NPC251042 |
0.8596 | High Similarity | NPC235242 |
0.8519 | High Similarity | NPC87394 |
0.8491 | Intermediate Similarity | NPC18357 |
0.8475 | Intermediate Similarity | NPC328089 |
0.8475 | Intermediate Similarity | NPC68343 |
0.8448 | Intermediate Similarity | NPC125312 |
0.8448 | Intermediate Similarity | NPC40082 |
0.8448 | Intermediate Similarity | NPC174560 |
0.84 | Intermediate Similarity | NPC117572 |
0.8333 | Intermediate Similarity | NPC326268 |
0.8333 | Intermediate Similarity | NPC318420 |
0.8333 | Intermediate Similarity | NPC71761 |
0.8333 | Intermediate Similarity | NPC255863 |
0.8333 | Intermediate Similarity | NPC245947 |
0.8333 | Intermediate Similarity | NPC136164 |
0.8302 | Intermediate Similarity | NPC470412 |
0.8302 | Intermediate Similarity | NPC284212 |
0.8302 | Intermediate Similarity | NPC470410 |
0.8302 | Intermediate Similarity | NPC28205 |
0.8246 | Intermediate Similarity | NPC34416 |
0.8246 | Intermediate Similarity | NPC267817 |
0.8167 | Intermediate Similarity | NPC470320 |
0.8136 | Intermediate Similarity | NPC328776 |
0.8136 | Intermediate Similarity | NPC321838 |
0.8136 | Intermediate Similarity | NPC320305 |
0.8077 | Intermediate Similarity | NPC216130 |
0.8065 | Intermediate Similarity | NPC271921 |
0.8065 | Intermediate Similarity | NPC148192 |
0.8065 | Intermediate Similarity | NPC99619 |
0.8065 | Intermediate Similarity | NPC22101 |
0.8065 | Intermediate Similarity | NPC127091 |
0.8065 | Intermediate Similarity | NPC330426 |
0.8065 | Intermediate Similarity | NPC26500 |
0.8065 | Intermediate Similarity | NPC104537 |
0.8036 | Intermediate Similarity | NPC52264 |
0.8 | Intermediate Similarity | NPC270796 |
0.7966 | Intermediate Similarity | NPC229252 |
0.7966 | Intermediate Similarity | NPC143857 |
0.7963 | Intermediate Similarity | NPC48162 |
0.7937 | Intermediate Similarity | NPC48218 |
0.7937 | Intermediate Similarity | NPC473559 |
0.7937 | Intermediate Similarity | NPC324981 |
0.7937 | Intermediate Similarity | NPC141481 |
0.7895 | Intermediate Similarity | NPC325977 |
0.7869 | Intermediate Similarity | NPC226592 |
0.7857 | Intermediate Similarity | NPC137538 |
0.7818 | Intermediate Similarity | NPC161366 |
0.7812 | Intermediate Similarity | NPC317583 |
0.7778 | Intermediate Similarity | NPC473829 |
0.7778 | Intermediate Similarity | NPC475443 |
0.7719 | Intermediate Similarity | NPC45626 |
0.7705 | Intermediate Similarity | NPC54925 |
0.7705 | Intermediate Similarity | NPC477707 |
0.7692 | Intermediate Similarity | NPC476660 |
0.7692 | Intermediate Similarity | NPC42526 |
0.7667 | Intermediate Similarity | NPC328311 |
0.7667 | Intermediate Similarity | NPC327112 |
0.7656 | Intermediate Similarity | NPC476614 |
0.7636 | Intermediate Similarity | NPC477458 |
0.7627 | Intermediate Similarity | NPC329819 |
0.76 | Intermediate Similarity | NPC209970 |
0.76 | Intermediate Similarity | NPC196924 |
0.76 | Intermediate Similarity | NPC307783 |
0.76 | Intermediate Similarity | NPC216630 |
0.76 | Intermediate Similarity | NPC149184 |
0.76 | Intermediate Similarity | NPC171736 |
0.7593 | Intermediate Similarity | NPC207815 |
0.7581 | Intermediate Similarity | NPC234767 |
0.7547 | Intermediate Similarity | NPC42304 |
0.7544 | Intermediate Similarity | NPC322461 |
0.7541 | Intermediate Similarity | NPC477829 |
0.7538 | Intermediate Similarity | NPC143396 |
0.7538 | Intermediate Similarity | NPC473772 |
0.75 | Intermediate Similarity | NPC329550 |
0.75 | Intermediate Similarity | NPC129458 |
0.75 | Intermediate Similarity | NPC60120 |
0.7458 | Intermediate Similarity | NPC323436 |
0.7458 | Intermediate Similarity | NPC211752 |
0.7458 | Intermediate Similarity | NPC323498 |
0.7458 | Intermediate Similarity | NPC323597 |
0.7451 | Intermediate Similarity | NPC67462 |
0.7385 | Intermediate Similarity | NPC53302 |
0.7368 | Intermediate Similarity | NPC10081 |
0.7368 | Intermediate Similarity | NPC225066 |
0.7358 | Intermediate Similarity | NPC76976 |
0.7353 | Intermediate Similarity | NPC474321 |
0.7353 | Intermediate Similarity | NPC227396 |
0.7344 | Intermediate Similarity | NPC142423 |
0.7344 | Intermediate Similarity | NPC308294 |
0.7313 | Intermediate Similarity | NPC160817 |
0.7313 | Intermediate Similarity | NPC320669 |
0.7313 | Intermediate Similarity | NPC318814 |
0.7308 | Intermediate Similarity | NPC74845 |
0.7288 | Intermediate Similarity | NPC327388 |
0.7273 | Intermediate Similarity | NPC163345 |
0.7246 | Intermediate Similarity | NPC476844 |
0.7222 | Intermediate Similarity | NPC110234 |
0.7222 | Intermediate Similarity | NPC44363 |
0.7222 | Intermediate Similarity | NPC163751 |
0.7213 | Intermediate Similarity | NPC329249 |
0.7206 | Intermediate Similarity | NPC325627 |
0.72 | Intermediate Similarity | NPC113928 |
0.72 | Intermediate Similarity | NPC301696 |
0.72 | Intermediate Similarity | NPC201844 |
0.72 | Intermediate Similarity | NPC279026 |
0.72 | Intermediate Similarity | NPC301585 |
0.72 | Intermediate Similarity | NPC261080 |
0.72 | Intermediate Similarity | NPC154186 |
0.72 | Intermediate Similarity | NPC14227 |
0.7193 | Intermediate Similarity | NPC303765 |
0.7193 | Intermediate Similarity | NPC310746 |
0.7188 | Intermediate Similarity | NPC320642 |
0.7188 | Intermediate Similarity | NPC476657 |
0.7188 | Intermediate Similarity | NPC476654 |
0.7188 | Intermediate Similarity | NPC476655 |
0.7188 | Intermediate Similarity | NPC317881 |
0.7188 | Intermediate Similarity | NPC323045 |
0.717 | Intermediate Similarity | NPC8219 |
0.7143 | Intermediate Similarity | NPC477830 |
0.7143 | Intermediate Similarity | NPC279537 |
0.7143 | Intermediate Similarity | NPC469514 |
0.7143 | Intermediate Similarity | NPC316674 |
0.7119 | Intermediate Similarity | NPC477984 |
0.7119 | Intermediate Similarity | NPC474672 |
0.7101 | Intermediate Similarity | NPC283908 |
0.7101 | Intermediate Similarity | NPC251970 |
0.7101 | Intermediate Similarity | NPC241854 |
0.7101 | Intermediate Similarity | NPC183503 |
0.7101 | Intermediate Similarity | NPC161923 |
0.7101 | Intermediate Similarity | NPC55527 |
0.7101 | Intermediate Similarity | NPC3753 |
0.7101 | Intermediate Similarity | NPC237591 |
0.7101 | Intermediate Similarity | NPC103958 |
0.7101 | Intermediate Similarity | NPC476046 |
0.7097 | Intermediate Similarity | NPC321919 |
0.7097 | Intermediate Similarity | NPC81896 |
0.7097 | Intermediate Similarity | NPC45097 |
0.7077 | Intermediate Similarity | NPC476656 |
0.7077 | Intermediate Similarity | NPC476659 |
0.7059 | Intermediate Similarity | NPC288667 |
0.7059 | Intermediate Similarity | NPC320119 |
0.7049 | Intermediate Similarity | NPC469373 |
0.7042 | Intermediate Similarity | NPC240170 |
0.7042 | Intermediate Similarity | NPC120776 |
0.7042 | Intermediate Similarity | NPC281296 |
0.7037 | Intermediate Similarity | NPC239754 |
0.7037 | Intermediate Similarity | NPC30195 |
0.7037 | Intermediate Similarity | NPC12438 |
0.7031 | Intermediate Similarity | NPC7029 |
0.7018 | Intermediate Similarity | NPC178586 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC88966 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 |
---|---|---|---|
1.0 | High Similarity | NPD3195 | Phase 2 |
1.0 | High Similarity | NPD4266 | Approved |
1.0 | High Similarity | NPD3194 | Approved |
1.0 | High Similarity | NPD3196 | Approved |
0.98 | High Similarity | NPD3172 | Approved |
0.94 | High Similarity | NPD28 | Approved |
0.94 | High Similarity | NPD29 | Approved |
0.9 | High Similarity | NPD3173 | Approved |
0.88 | High Similarity | NPD622 | Approved |
0.8475 | Intermediate Similarity | NPD3197 | Phase 1 |
0.84 | Intermediate Similarity | NPD39 | Approved |
0.84 | Intermediate Similarity | NPD3174 | Discontinued |
0.84 | Intermediate Similarity | NPD4222 | Approved |
0.8 | Intermediate Similarity | NPD5326 | Phase 3 |
0.7667 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.76 | Intermediate Similarity | NPD2270 | Approved |
0.7407 | Intermediate Similarity | NPD5343 | Approved |
0.72 | Intermediate Similarity | NPD9448 | Phase 2 |
0.72 | Intermediate Similarity | NPD633 | Phase 3 |
0.717 | Intermediate Similarity | NPD3199 | Clinical (unspecified phase) |
0.7077 | Intermediate Similarity | NPD7331 | Phase 2 |
0.7 | Intermediate Similarity | NPD3206 | Approved |
0.697 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6944 | Remote Similarity | NPD3732 | Approved |
0.6875 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6863 | Remote Similarity | NPD9655 | Approved |
0.6852 | Remote Similarity | NPD6097 | Approved |
0.6852 | Remote Similarity | NPD6096 | Approved |
0.6774 | Remote Similarity | NPD6109 | Phase 1 |
0.6757 | Remote Similarity | NPD5368 | Approved |
0.6712 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5369 | Approved |
0.6579 | Remote Similarity | NPD4270 | Approved |
0.6579 | Remote Similarity | NPD6435 | Approved |
0.6579 | Remote Similarity | NPD4269 | Approved |
0.6575 | Remote Similarity | NPD4756 | Discovery |
0.6567 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6533 | Remote Similarity | NPD4252 | Approved |
0.6528 | Remote Similarity | NPD8039 | Approved |
0.6494 | Remote Similarity | NPD7154 | Phase 3 |
0.6494 | Remote Similarity | NPD5362 | Discontinued |
0.6486 | Remote Similarity | NPD4271 | Approved |
0.6486 | Remote Similarity | NPD4268 | Approved |
0.6429 | Remote Similarity | NPD634 | Phase 3 |
0.6418 | Remote Similarity | NPD7341 | Phase 2 |
0.6333 | Remote Similarity | NPD3186 | Phase 1 |
0.6329 | Remote Similarity | NPD5363 | Approved |
0.6316 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD4820 | Approved |
0.6316 | Remote Similarity | NPD4821 | Approved |
0.6316 | Remote Similarity | NPD4822 | Approved |
0.6316 | Remote Similarity | NPD4819 | Approved |
0.625 | Remote Similarity | NPD2699 | Approved |
0.625 | Remote Similarity | NPD5786 | Approved |
0.6167 | Remote Similarity | NPD6927 | Phase 3 |
0.6129 | Remote Similarity | NPD3728 | Approved |
0.6129 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6129 | Remote Similarity | NPD3730 | Approved |
0.6102 | Remote Similarity | NPD4220 | Pre-registration |
0.6087 | Remote Similarity | NPD3704 | Approved |
0.6076 | Remote Similarity | NPD5331 | Approved |
0.6076 | Remote Similarity | NPD5332 | Approved |
0.6026 | Remote Similarity | NPD857 | Phase 3 |
0.6026 | Remote Similarity | NPD4790 | Discontinued |
0.6024 | Remote Similarity | NPD6101 | Approved |
0.6024 | Remote Similarity | NPD5346 | Phase 2 |
0.6024 | Remote Similarity | NPD5347 | Phase 2 |
0.6024 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5976 | Remote Similarity | NPD4793 | Discontinued |
0.5952 | Remote Similarity | NPD5785 | Approved |
0.5926 | Remote Similarity | NPD5783 | Phase 3 |
0.5893 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD7983 | Approved |
0.5882 | Remote Similarity | NPD6411 | Approved |
0.5862 | Remote Similarity | NPD9430 | Approved |
0.5862 | Remote Similarity | NPD9431 | Approved |
0.5862 | Remote Similarity | NPD4265 | Approved |
0.5854 | Remote Similarity | NPD6422 | Discontinued |
0.5833 | Remote Similarity | NPD5370 | Suspended |
0.5823 | Remote Similarity | NPD226 | Approved |
0.5814 | Remote Similarity | NPD5779 | Approved |
0.5814 | Remote Similarity | NPD5778 | Approved |
0.5783 | Remote Similarity | NPD4251 | Approved |
0.5783 | Remote Similarity | NPD4250 | Approved |
0.5781 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD46 | Approved |
0.5765 | Remote Similarity | NPD6698 | Approved |
0.5735 | Remote Similarity | NPD4192 | Approved |
0.5735 | Remote Similarity | NPD4191 | Approved |
0.5735 | Remote Similarity | NPD4194 | Approved |
0.5735 | Remote Similarity | NPD4193 | Approved |
0.5698 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD5284 | Approved |
0.5698 | Remote Similarity | NPD5281 | Approved |
0.5698 | Remote Similarity | NPD7515 | Phase 2 |
0.5696 | Remote Similarity | NPD4695 | Discontinued |
0.5679 | Remote Similarity | NPD9491 | Approved |
0.5672 | Remote Similarity | NPD3198 | Approved |
0.5667 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD4249 | Approved |
0.5647 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5647 | Remote Similarity | NPD800 | Approved |
0.5636 | Remote Similarity | NPD9450 | Approved |
0.5636 | Remote Similarity | NPD77 | Approved |
0.5632 | Remote Similarity | NPD6399 | Phase 3 |
0.5625 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD7839 | Suspended |
0.561 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD4786 | Approved |
PubChem CID   | 5312529 |
ChEMBL   | CHEMBL453991 |
ZINC   |
Molecular Weight:   | 306.26 |
ALogP:   | -0.6739 |
MLogP:   | 3.44 |
XLogP:   | 8.676 |
# Rotatable Bonds:   | 17 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 22 |