Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT5277 | Individual Protein | Cytochrome P450 1A2 | Rattus norvegicus | Ki | = | 16700 | nM | 22331994 |
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 NPC262968 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 |
---|---|---|
0.9787 | High Similarity | NPC224227 |
0.9592 | High Similarity | NPC139545 |
0.9592 | High Similarity | NPC39633 |
0.9592 | High Similarity | NPC309606 |
0.94 | High Similarity | NPC6095 |
0.94 | High Similarity | NPC88966 |
0.94 | High Similarity | NPC154245 |
0.94 | High Similarity | NPC290563 |
0.94 | High Similarity | NPC261831 |
0.94 | High Similarity | NPC25417 |
0.94 | High Similarity | NPC85813 |
0.94 | High Similarity | NPC32467 |
0.94 | High Similarity | NPC281972 |
0.94 | High Similarity | NPC87564 |
0.94 | High Similarity | NPC424 |
0.9216 | High Similarity | NPC228473 |
0.9216 | High Similarity | NPC200845 |
0.9216 | High Similarity | NPC10316 |
0.9216 | High Similarity | NPC223677 |
0.9216 | High Similarity | NPC128061 |
0.9216 | High Similarity | NPC28779 |
0.92 | High Similarity | NPC139029 |
0.92 | High Similarity | NPC36061 |
0.92 | High Similarity | NPC294548 |
0.92 | High Similarity | NPC321062 |
0.92 | High Similarity | NPC70387 |
0.92 | High Similarity | NPC1813 |
0.9038 | High Similarity | NPC18951 |
0.9038 | High Similarity | NPC477201 |
0.9 | High Similarity | NPC281245 |
0.9 | High Similarity | NPC92114 |
0.8824 | High Similarity | NPC71761 |
0.8679 | High Similarity | NPC187777 |
0.8679 | High Similarity | NPC179764 |
0.86 | High Similarity | NPC59051 |
0.8571 | High Similarity | NPC216130 |
0.8545 | High Similarity | NPC274927 |
0.8545 | High Similarity | NPC106851 |
0.8519 | High Similarity | NPC225929 |
0.8491 | Intermediate Similarity | NPC54766 |
0.8491 | Intermediate Similarity | NPC274290 |
0.8491 | Intermediate Similarity | NPC473863 |
0.84 | Intermediate Similarity | NPC149821 |
0.84 | Intermediate Similarity | NPC5413 |
0.8393 | Intermediate Similarity | NPC243532 |
0.8393 | Intermediate Similarity | NPC229252 |
0.8393 | Intermediate Similarity | NPC143857 |
0.8269 | Intermediate Similarity | NPC161366 |
0.8246 | Intermediate Similarity | NPC201939 |
0.82 | Intermediate Similarity | NPC180534 |
0.82 | Intermediate Similarity | NPC91495 |
0.82 | Intermediate Similarity | NPC207292 |
0.8103 | Intermediate Similarity | NPC54925 |
0.807 | Intermediate Similarity | NPC251042 |
0.807 | Intermediate Similarity | NPC174447 |
0.807 | Intermediate Similarity | NPC122521 |
0.807 | Intermediate Similarity | NPC235242 |
0.8039 | Intermediate Similarity | NPC207815 |
0.7966 | Intermediate Similarity | NPC328089 |
0.7966 | Intermediate Similarity | NPC68343 |
0.7963 | Intermediate Similarity | NPC87394 |
0.7931 | Intermediate Similarity | NPC40082 |
0.7931 | Intermediate Similarity | NPC125312 |
0.7931 | Intermediate Similarity | NPC174560 |
0.7925 | Intermediate Similarity | NPC18357 |
0.7833 | Intermediate Similarity | NPC245947 |
0.7833 | Intermediate Similarity | NPC326268 |
0.7833 | Intermediate Similarity | NPC136164 |
0.7833 | Intermediate Similarity | NPC318420 |
0.7833 | Intermediate Similarity | NPC255863 |
0.78 | Intermediate Similarity | NPC117572 |
0.7736 | Intermediate Similarity | NPC28205 |
0.7736 | Intermediate Similarity | NPC284212 |
0.7736 | Intermediate Similarity | NPC470412 |
0.7736 | Intermediate Similarity | NPC470410 |
0.7719 | Intermediate Similarity | NPC267817 |
0.7719 | Intermediate Similarity | NPC34416 |
0.7692 | Intermediate Similarity | NPC163345 |
0.7667 | Intermediate Similarity | NPC470320 |
0.7647 | Intermediate Similarity | NPC110234 |
0.7647 | Intermediate Similarity | NPC44363 |
0.7647 | Intermediate Similarity | NPC163751 |
0.7627 | Intermediate Similarity | NPC321838 |
0.7627 | Intermediate Similarity | NPC320305 |
0.7627 | Intermediate Similarity | NPC328776 |
0.7593 | Intermediate Similarity | NPC310746 |
0.7581 | Intermediate Similarity | NPC99619 |
0.7581 | Intermediate Similarity | NPC475443 |
0.7581 | Intermediate Similarity | NPC22101 |
0.7581 | Intermediate Similarity | NPC473829 |
0.7581 | Intermediate Similarity | NPC148192 |
0.7581 | Intermediate Similarity | NPC271921 |
0.7581 | Intermediate Similarity | NPC330426 |
0.7581 | Intermediate Similarity | NPC104537 |
0.7581 | Intermediate Similarity | NPC127091 |
0.7581 | Intermediate Similarity | NPC26500 |
0.75 | Intermediate Similarity | NPC52264 |
0.75 | Intermediate Similarity | NPC477984 |
0.75 | Intermediate Similarity | NPC474672 |
0.746 | Intermediate Similarity | NPC324981 |
0.746 | Intermediate Similarity | NPC141481 |
0.746 | Intermediate Similarity | NPC48218 |
0.746 | Intermediate Similarity | NPC473559 |
0.7458 | Intermediate Similarity | NPC45097 |
0.7451 | Intermediate Similarity | NPC239754 |
0.7407 | Intermediate Similarity | NPC48162 |
0.7407 | Intermediate Similarity | NPC477458 |
0.74 | Intermediate Similarity | NPC270796 |
0.7377 | Intermediate Similarity | NPC226592 |
0.7368 | Intermediate Similarity | NPC325977 |
0.7344 | Intermediate Similarity | NPC473772 |
0.7344 | Intermediate Similarity | NPC317583 |
0.7321 | Intermediate Similarity | NPC137538 |
0.7273 | Intermediate Similarity | NPC216407 |
0.7231 | Intermediate Similarity | NPC476660 |
0.7231 | Intermediate Similarity | NPC42526 |
0.7213 | Intermediate Similarity | NPC477707 |
0.7193 | Intermediate Similarity | NPC45626 |
0.7188 | Intermediate Similarity | NPC218477 |
0.7188 | Intermediate Similarity | NPC476614 |
0.7167 | Intermediate Similarity | NPC328311 |
0.7167 | Intermediate Similarity | NPC327112 |
0.7143 | Intermediate Similarity | NPC154728 |
0.7143 | Intermediate Similarity | NPC12156 |
0.7143 | Intermediate Similarity | NPC304665 |
0.7143 | Intermediate Similarity | NPC161097 |
0.7143 | Intermediate Similarity | NPC126899 |
0.7143 | Intermediate Similarity | NPC28598 |
0.7119 | Intermediate Similarity | NPC329819 |
0.7097 | Intermediate Similarity | NPC234767 |
0.7077 | Intermediate Similarity | NPC143396 |
0.7049 | Intermediate Similarity | NPC477829 |
0.7037 | Intermediate Similarity | NPC250919 |
0.7037 | Intermediate Similarity | NPC98284 |
0.7031 | Intermediate Similarity | NPC60120 |
0.7018 | Intermediate Similarity | NPC322461 |
0.7015 | Intermediate Similarity | NPC474705 |
0.7015 | Intermediate Similarity | NPC167145 |
0.7015 | Intermediate Similarity | NPC470237 |
0.7 | Intermediate Similarity | NPC216630 |
0.7 | Intermediate Similarity | NPC149184 |
0.7 | Intermediate Similarity | NPC171736 |
0.7 | Intermediate Similarity | NPC196924 |
0.7 | Intermediate Similarity | NPC329550 |
0.7 | Intermediate Similarity | NPC209970 |
0.7 | Intermediate Similarity | NPC307783 |
0.6981 | Remote Similarity | NPC42304 |
0.697 | Remote Similarity | NPC475310 |
0.6964 | Remote Similarity | NPC129458 |
0.6949 | Remote Similarity | NPC323597 |
0.6949 | Remote Similarity | NPC323498 |
0.6949 | Remote Similarity | NPC323436 |
0.6949 | Remote Similarity | NPC211752 |
0.6923 | Remote Similarity | NPC53302 |
0.6912 | Remote Similarity | NPC330016 |
0.6912 | Remote Similarity | NPC474321 |
0.6912 | Remote Similarity | NPC166797 |
0.6912 | Remote Similarity | NPC227396 |
0.6909 | Remote Similarity | NPC474391 |
0.6885 | Remote Similarity | NPC299730 |
0.6875 | Remote Similarity | NPC308294 |
0.6875 | Remote Similarity | NPC16119 |
0.6875 | Remote Similarity | NPC142423 |
0.6875 | Remote Similarity | NPC284447 |
0.6866 | Remote Similarity | NPC320669 |
0.6866 | Remote Similarity | NPC318814 |
0.6866 | Remote Similarity | NPC160817 |
0.6866 | Remote Similarity | NPC84038 |
0.6863 | Remote Similarity | NPC203531 |
0.6863 | Remote Similarity | NPC236579 |
0.6863 | Remote Similarity | NPC67462 |
0.6842 | Remote Similarity | NPC10081 |
0.6842 | Remote Similarity | NPC225066 |
0.6833 | Remote Similarity | NPC469373 |
0.6825 | Remote Similarity | NPC34883 |
0.6818 | Remote Similarity | NPC199557 |
0.6812 | Remote Similarity | NPC228978 |
0.6812 | Remote Similarity | NPC476844 |
0.6809 | Remote Similarity | NPC156630 |
0.6792 | Remote Similarity | NPC76976 |
0.6786 | Remote Similarity | NPC234829 |
0.678 | Remote Similarity | NPC327388 |
0.6769 | Remote Similarity | NPC474619 |
0.6765 | Remote Similarity | NPC325627 |
0.6735 | Remote Similarity | NPC22903 |
0.6735 | Remote Similarity | NPC305660 |
0.6735 | Remote Similarity | NPC92863 |
0.6735 | Remote Similarity | NPC201622 |
0.6735 | Remote Similarity | NPC54980 |
0.6735 | Remote Similarity | NPC155880 |
0.6731 | Remote Similarity | NPC74845 |
0.6731 | Remote Similarity | NPC317128 |
0.6721 | Remote Similarity | NPC329249 |
0.6721 | Remote Similarity | NPC474267 |
0.6719 | Remote Similarity | NPC323045 |
0.6719 | Remote Similarity | NPC320642 |
0.6719 | Remote Similarity | NPC476657 |
0.6719 | Remote Similarity | NPC317881 |
0.6719 | Remote Similarity | NPC98897 |
0.6719 | Remote Similarity | NPC476655 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC262968 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 | NPD29 | Approved |
1.0 | High Similarity | NPD28 | Approved |
0.94 | High Similarity | NPD3194 | Approved |
0.94 | High Similarity | NPD3196 | Approved |
0.94 | High Similarity | NPD3195 | Phase 2 |
0.94 | High Similarity | NPD4266 | Approved |
0.92 | High Similarity | NPD3172 | Approved |
0.8936 | High Similarity | NPD3174 | Discontinued |
0.84 | Intermediate Similarity | NPD3173 | Approved |
0.82 | Intermediate Similarity | NPD622 | Approved |
0.7966 | Intermediate Similarity | NPD3197 | Phase 1 |
0.7843 | Intermediate Similarity | NPD5343 | Approved |
0.78 | Intermediate Similarity | NPD4222 | Approved |
0.78 | Intermediate Similarity | NPD39 | Approved |
0.7447 | Intermediate Similarity | NPD3206 | Approved |
0.74 | Intermediate Similarity | NPD5326 | Phase 3 |
0.7255 | Intermediate Similarity | NPD6097 | Approved |
0.7255 | Intermediate Similarity | NPD6096 | Approved |
0.7167 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD2270 | Approved |
0.6875 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6812 | Remote Similarity | NPD8039 | Approved |
0.6615 | Remote Similarity | NPD7331 | Phase 2 |
0.6604 | Remote Similarity | NPD2699 | Approved |
0.6604 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD633 | Phase 3 |
0.66 | Remote Similarity | NPD9448 | Phase 2 |
0.6528 | Remote Similarity | NPD3732 | Approved |
0.6515 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6491 | Remote Similarity | NPD6927 | Phase 3 |
0.6406 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6351 | Remote Similarity | NPD5368 | Approved |
0.6301 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.629 | Remote Similarity | NPD6109 | Phase 1 |
0.6275 | Remote Similarity | NPD9655 | Approved |
0.6275 | Remote Similarity | NPD5783 | Phase 3 |
0.6267 | Remote Similarity | NPD5369 | Approved |
0.6226 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.6184 | Remote Similarity | NPD6435 | Approved |
0.6184 | Remote Similarity | NPD4269 | Approved |
0.6184 | Remote Similarity | NPD4270 | Approved |
0.6164 | Remote Similarity | NPD4756 | Discovery |
0.6133 | Remote Similarity | NPD4252 | Approved |
0.6104 | Remote Similarity | NPD7154 | Phase 3 |
0.6104 | Remote Similarity | NPD5362 | Discontinued |
0.6081 | Remote Similarity | NPD4268 | Approved |
0.6081 | Remote Similarity | NPD4271 | Approved |
0.597 | Remote Similarity | NPD7341 | Phase 2 |
0.5965 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.5949 | Remote Similarity | NPD5363 | Approved |
0.5921 | Remote Similarity | NPD4819 | Approved |
0.5921 | Remote Similarity | NPD4820 | Approved |
0.5921 | Remote Similarity | NPD4821 | Approved |
0.5921 | Remote Similarity | NPD4822 | Approved |
0.5921 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5893 | Remote Similarity | NPD634 | Phase 3 |
0.5875 | Remote Similarity | NPD5786 | Approved |
0.5862 | Remote Similarity | NPD4220 | Pre-registration |
0.5833 | Remote Similarity | NPD3186 | Phase 1 |
0.5769 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5696 | Remote Similarity | NPD5332 | Approved |
0.5696 | Remote Similarity | NPD5331 | Approved |
0.5679 | Remote Similarity | NPD6422 | Discontinued |
0.5679 | Remote Similarity | NPD6409 | Approved |
0.5679 | Remote Similarity | NPD7146 | Approved |
0.5679 | Remote Similarity | NPD5330 | Approved |
0.5679 | Remote Similarity | NPD7521 | Approved |
0.5679 | Remote Similarity | NPD7334 | Approved |
0.5679 | Remote Similarity | NPD6684 | Approved |
0.5679 | Remote Similarity | NPD6098 | Approved |
0.5663 | Remote Similarity | NPD5347 | Phase 2 |
0.5663 | Remote Similarity | NPD6101 | Approved |
0.5663 | Remote Similarity | NPD5346 | Phase 2 |
0.5663 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5658 | Remote Similarity | NPD225 | Approved |
0.5658 | Remote Similarity | NPD227 | Approved |
0.5652 | Remote Similarity | NPD3704 | Approved |
0.5645 | Remote Similarity | NPD3728 | Approved |
0.5645 | Remote Similarity | NPD3730 | Approved |
0.5645 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD4790 | Discontinued |
0.5641 | Remote Similarity | NPD857 | Phase 3 |
0.561 | Remote Similarity | NPD3573 | Approved |
0.561 | Remote Similarity | NPD4793 | Discontinued |
PubChem CID   | 23665730 |
ChEMBL   | CHEMBL3527599 |
ZINC   |
Molecular Weight:   | 281.25 |
ALogP:   | -3.0205 |
MLogP:   | 3.22 |
XLogP:   | 7.711 |
# Rotatable Bonds:   | 17 |
Polar Surface Area:   | 40.13 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 20 |