Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid | John W. Newman, USDA ARS Western Human Nutrition Research Center, Davis CA (personal communication - March 2, 2009) | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[21359215] |
||
NPO31575 | Cavia porcellus | Species | Caviidae | Eukaryota |
PMID[11060896] |
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 NPC328776 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 | NPC320305 |
0.9661 | High Similarity | NPC68343 |
0.9661 | High Similarity | NPC328089 |
0.9298 | High Similarity | NPC211752 |
0.9298 | High Similarity | NPC323498 |
0.9298 | High Similarity | NPC323597 |
0.9123 | High Similarity | NPC327388 |
0.9 | High Similarity | NPC201939 |
0.8947 | High Similarity | NPC52264 |
0.8906 | High Similarity | NPC317583 |
0.8833 | High Similarity | NPC243532 |
0.8772 | High Similarity | NPC137538 |
0.8689 | High Similarity | NPC321838 |
0.8308 | Intermediate Similarity | NPC148192 |
0.8308 | Intermediate Similarity | NPC271921 |
0.8308 | Intermediate Similarity | NPC22101 |
0.8308 | Intermediate Similarity | NPC104537 |
0.8308 | Intermediate Similarity | NPC127091 |
0.8308 | Intermediate Similarity | NPC330426 |
0.8305 | Intermediate Similarity | NPC223677 |
0.8305 | Intermediate Similarity | NPC200845 |
0.8305 | Intermediate Similarity | NPC28779 |
0.8305 | Intermediate Similarity | NPC10316 |
0.8305 | Intermediate Similarity | NPC128061 |
0.8182 | Intermediate Similarity | NPC473559 |
0.8182 | Intermediate Similarity | NPC324981 |
0.8182 | Intermediate Similarity | NPC141481 |
0.8182 | Intermediate Similarity | NPC48218 |
0.8167 | Intermediate Similarity | NPC477201 |
0.8136 | Intermediate Similarity | NPC261831 |
0.8136 | Intermediate Similarity | NPC88966 |
0.8136 | Intermediate Similarity | NPC290563 |
0.8136 | Intermediate Similarity | NPC154245 |
0.8136 | Intermediate Similarity | NPC32467 |
0.8136 | Intermediate Similarity | NPC424 |
0.8136 | Intermediate Similarity | NPC25417 |
0.8136 | Intermediate Similarity | NPC6095 |
0.8136 | Intermediate Similarity | NPC85813 |
0.8136 | Intermediate Similarity | NPC281972 |
0.8136 | Intermediate Similarity | NPC87564 |
0.8103 | Intermediate Similarity | NPC92114 |
0.807 | Intermediate Similarity | NPC59051 |
0.8033 | Intermediate Similarity | NPC323436 |
0.803 | Intermediate Similarity | NPC475443 |
0.803 | Intermediate Similarity | NPC26500 |
0.803 | Intermediate Similarity | NPC99619 |
0.803 | Intermediate Similarity | NPC473829 |
0.8 | Intermediate Similarity | NPC136164 |
0.8 | Intermediate Similarity | NPC318420 |
0.8 | Intermediate Similarity | NPC245947 |
0.8 | Intermediate Similarity | NPC476654 |
0.8 | Intermediate Similarity | NPC326268 |
0.8 | Intermediate Similarity | NPC476657 |
0.8 | Intermediate Similarity | NPC255863 |
0.8 | Intermediate Similarity | NPC476655 |
0.7969 | Intermediate Similarity | NPC54925 |
0.7966 | Intermediate Similarity | NPC36061 |
0.7966 | Intermediate Similarity | NPC294548 |
0.7966 | Intermediate Similarity | NPC139545 |
0.7966 | Intermediate Similarity | NPC321062 |
0.7966 | Intermediate Similarity | NPC70387 |
0.7966 | Intermediate Similarity | NPC39633 |
0.7966 | Intermediate Similarity | NPC1813 |
0.7966 | Intermediate Similarity | NPC71761 |
0.7966 | Intermediate Similarity | NPC309606 |
0.7966 | Intermediate Similarity | NPC139029 |
0.7941 | Intermediate Similarity | NPC476660 |
0.7941 | Intermediate Similarity | NPC42526 |
0.7937 | Intermediate Similarity | NPC321919 |
0.7937 | Intermediate Similarity | NPC328311 |
0.7937 | Intermediate Similarity | NPC81896 |
0.7937 | Intermediate Similarity | NPC327112 |
0.7937 | Intermediate Similarity | NPC229252 |
0.7937 | Intermediate Similarity | NPC143857 |
0.7895 | Intermediate Similarity | NPC207815 |
0.7879 | Intermediate Similarity | NPC476659 |
0.7879 | Intermediate Similarity | NPC476656 |
0.7869 | Intermediate Similarity | NPC18951 |
0.7857 | Intermediate Similarity | NPC92558 |
0.7846 | Intermediate Similarity | NPC470320 |
0.7812 | Intermediate Similarity | NPC113293 |
0.7797 | Intermediate Similarity | NPC281245 |
0.7794 | Intermediate Similarity | NPC470436 |
0.7794 | Intermediate Similarity | NPC473772 |
0.7778 | Intermediate Similarity | NPC274927 |
0.7778 | Intermediate Similarity | NPC329249 |
0.7778 | Intermediate Similarity | NPC106851 |
0.7778 | Intermediate Similarity | NPC478095 |
0.7719 | Intermediate Similarity | NPC91495 |
0.7714 | Intermediate Similarity | NPC470435 |
0.7705 | Intermediate Similarity | NPC228473 |
0.7692 | Intermediate Similarity | NPC29697 |
0.7681 | Intermediate Similarity | NPC475310 |
0.7647 | Intermediate Similarity | NPC273508 |
0.7647 | Intermediate Similarity | NPC209327 |
0.7627 | Intermediate Similarity | NPC262968 |
0.7619 | Intermediate Similarity | NPC478096 |
0.7606 | Intermediate Similarity | NPC474321 |
0.7586 | Intermediate Similarity | NPC5413 |
0.7586 | Intermediate Similarity | NPC149821 |
0.7586 | Intermediate Similarity | NPC163345 |
0.7581 | Intermediate Similarity | NPC187777 |
0.7581 | Intermediate Similarity | NPC179764 |
0.7576 | Intermediate Similarity | NPC476658 |
0.7576 | Intermediate Similarity | NPC226592 |
0.7538 | Intermediate Similarity | NPC66460 |
0.7538 | Intermediate Similarity | NPC325929 |
0.7538 | Intermediate Similarity | NPC271282 |
0.75 | Intermediate Similarity | NPC260396 |
0.75 | Intermediate Similarity | NPC478097 |
0.75 | Intermediate Similarity | NPC478100 |
0.75 | Intermediate Similarity | NPC25298 |
0.746 | Intermediate Similarity | NPC225929 |
0.7458 | Intermediate Similarity | NPC224227 |
0.7419 | Intermediate Similarity | NPC54766 |
0.7419 | Intermediate Similarity | NPC274290 |
0.7419 | Intermediate Similarity | NPC473863 |
0.7414 | Intermediate Similarity | NPC207292 |
0.7397 | Intermediate Similarity | NPC188860 |
0.7385 | Intermediate Similarity | NPC251042 |
0.7385 | Intermediate Similarity | NPC122521 |
0.7385 | Intermediate Similarity | NPC235242 |
0.7385 | Intermediate Similarity | NPC174447 |
0.7368 | Intermediate Similarity | NPC117572 |
0.7353 | Intermediate Similarity | NPC478101 |
0.7353 | Intermediate Similarity | NPC83965 |
0.7344 | Intermediate Similarity | NPC469373 |
0.7324 | Intermediate Similarity | NPC320119 |
0.7297 | Intermediate Similarity | NPC233071 |
0.7286 | Intermediate Similarity | NPC143396 |
0.7286 | Intermediate Similarity | NPC475004 |
0.7286 | Intermediate Similarity | NPC130618 |
0.7286 | Intermediate Similarity | NPC101622 |
0.7273 | Intermediate Similarity | NPC475984 |
0.7273 | Intermediate Similarity | NPC40082 |
0.7273 | Intermediate Similarity | NPC477829 |
0.7258 | Intermediate Similarity | NPC87394 |
0.7246 | Intermediate Similarity | NPC49863 |
0.7231 | Intermediate Similarity | NPC322002 |
0.7231 | Intermediate Similarity | NPC474267 |
0.7222 | Intermediate Similarity | NPC327383 |
0.7222 | Intermediate Similarity | NPC325627 |
0.7222 | Intermediate Similarity | NPC185186 |
0.7222 | Intermediate Similarity | NPC329914 |
0.7222 | Intermediate Similarity | NPC329890 |
0.7206 | Intermediate Similarity | NPC317881 |
0.7206 | Intermediate Similarity | NPC320642 |
0.7206 | Intermediate Similarity | NPC478099 |
0.7206 | Intermediate Similarity | NPC478098 |
0.7206 | Intermediate Similarity | NPC323045 |
0.72 | Intermediate Similarity | NPC218817 |
0.72 | Intermediate Similarity | NPC11796 |
0.72 | Intermediate Similarity | NPC182292 |
0.7183 | Intermediate Similarity | NPC4299 |
0.7183 | Intermediate Similarity | NPC318766 |
0.7164 | Intermediate Similarity | NPC470965 |
0.7162 | Intermediate Similarity | NPC271070 |
0.7143 | Intermediate Similarity | NPC474823 |
0.7143 | Intermediate Similarity | NPC218477 |
0.7123 | Intermediate Similarity | NPC227396 |
0.7119 | Intermediate Similarity | NPC216130 |
0.7119 | Intermediate Similarity | NPC180534 |
0.7105 | Intermediate Similarity | NPC471537 |
0.7105 | Intermediate Similarity | NPC263574 |
0.7105 | Intermediate Similarity | NPC469747 |
0.7101 | Intermediate Similarity | NPC328653 |
0.7101 | Intermediate Similarity | NPC284447 |
0.7083 | Intermediate Similarity | NPC477983 |
0.7083 | Intermediate Similarity | NPC477981 |
0.7069 | Intermediate Similarity | NPC76976 |
0.7067 | Intermediate Similarity | NPC84360 |
0.7059 | Intermediate Similarity | NPC475221 |
0.7049 | Intermediate Similarity | NPC48162 |
0.7049 | Intermediate Similarity | NPC28205 |
0.7049 | Intermediate Similarity | NPC284212 |
0.7042 | Intermediate Similarity | NPC236208 |
0.7042 | Intermediate Similarity | NPC329656 |
0.7042 | Intermediate Similarity | NPC199557 |
0.7031 | Intermediate Similarity | NPC325977 |
0.7027 | Intermediate Similarity | NPC113639 |
0.7027 | Intermediate Similarity | NPC285840 |
0.7027 | Intermediate Similarity | NPC327041 |
0.7027 | Intermediate Similarity | NPC475861 |
0.7018 | Intermediate Similarity | NPC270796 |
0.7015 | Intermediate Similarity | NPC174560 |
0.7015 | Intermediate Similarity | NPC125312 |
0.7013 | Intermediate Similarity | NPC200446 |
0.7 | Intermediate Similarity | NPC473357 |
0.7 | Intermediate Similarity | NPC193029 |
0.6986 | Remote Similarity | NPC326024 |
0.6986 | Remote Similarity | NPC477085 |
0.6986 | Remote Similarity | NPC474705 |
0.6984 | Remote Similarity | NPC322461 |
0.6974 | Remote Similarity | NPC260814 |
0.6974 | Remote Similarity | NPC39547 |
0.6974 | Remote Similarity | NPC267231 |
0.6974 | Remote Similarity | NPC323249 |
0.6974 | Remote Similarity | NPC27949 |
0.697 | Remote Similarity | NPC159650 |
0.697 | Remote Similarity | NPC322186 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC328776 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 |
---|---|---|---|
0.8136 | Intermediate Similarity | NPD3194 | Approved |
0.8136 | Intermediate Similarity | NPD3196 | Approved |
0.8136 | Intermediate Similarity | NPD3195 | Phase 2 |
0.8136 | Intermediate Similarity | NPD4266 | Approved |
0.8125 | Intermediate Similarity | NPD3197 | Phase 1 |
0.7966 | Intermediate Similarity | NPD3172 | Approved |
0.7937 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.7719 | Intermediate Similarity | NPD5343 | Approved |
0.7627 | Intermediate Similarity | NPD29 | Approved |
0.7627 | Intermediate Similarity | NPD28 | Approved |
0.7619 | Intermediate Similarity | NPD6109 | Phase 1 |
0.7586 | Intermediate Similarity | NPD3173 | Approved |
0.7368 | Intermediate Similarity | NPD4222 | Approved |
0.7368 | Intermediate Similarity | NPD39 | Approved |
0.7246 | Intermediate Similarity | NPD4247 | Clinical (unspecified phase) |
0.7237 | Intermediate Similarity | NPD5790 | Clinical (unspecified phase) |
0.7193 | Intermediate Similarity | NPD6097 | Approved |
0.7193 | Intermediate Similarity | NPD6096 | Approved |
0.7119 | Intermediate Similarity | NPD622 | Approved |
0.7069 | Intermediate Similarity | NPD3174 | Discontinued |
0.7018 | Intermediate Similarity | NPD5326 | Phase 3 |
0.6974 | Remote Similarity | NPD4268 | Approved |
0.6974 | Remote Similarity | NPD4271 | Approved |
0.6962 | Remote Similarity | NPD7154 | Phase 3 |
0.6923 | Remote Similarity | NPD5369 | Approved |
0.6835 | Remote Similarity | NPD6435 | Approved |
0.6795 | Remote Similarity | NPD4820 | Approved |
0.6795 | Remote Similarity | NPD4819 | Approved |
0.6795 | Remote Similarity | NPD4822 | Approved |
0.6795 | Remote Similarity | NPD4821 | Approved |
0.675 | Remote Similarity | NPD5362 | Discontinued |
0.6714 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6627 | Remote Similarity | NPD4251 | Approved |
0.6627 | Remote Similarity | NPD4250 | Approved |
0.6625 | Remote Similarity | NPD4270 | Approved |
0.6625 | Remote Similarity | NPD4269 | Approved |
0.661 | Remote Similarity | NPD2699 | Approved |
0.6588 | Remote Similarity | NPD46 | Approved |
0.6588 | Remote Similarity | NPD6698 | Approved |
0.6582 | Remote Similarity | NPD4252 | Approved |
0.6582 | Remote Similarity | NPD5368 | Approved |
0.6543 | Remote Similarity | NPD5331 | Approved |
0.6543 | Remote Similarity | NPD5332 | Approved |
0.6538 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6508 | Remote Similarity | NPD6927 | Phase 3 |
0.6506 | Remote Similarity | NPD4249 | Approved |
0.6506 | Remote Similarity | NPD5786 | Approved |
0.65 | Remote Similarity | NPD4790 | Discontinued |
0.6471 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD6101 | Approved |
0.6462 | Remote Similarity | NPD3730 | Approved |
0.6462 | Remote Similarity | NPD3728 | Approved |
0.641 | Remote Similarity | NPD4756 | Discovery |
0.6395 | Remote Similarity | NPD7838 | Discovery |
0.6389 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6386 | Remote Similarity | NPD5363 | Approved |
0.6364 | Remote Similarity | NPD8039 | Approved |
0.6329 | Remote Similarity | NPD3732 | Approved |
0.6322 | Remote Similarity | NPD7983 | Approved |
0.6322 | Remote Similarity | NPD6411 | Approved |
0.631 | Remote Similarity | NPD6422 | Discontinued |
0.6282 | Remote Similarity | NPD819 | Approved |
0.6282 | Remote Similarity | NPD818 | Approved |
0.6279 | Remote Similarity | NPD5370 | Suspended |
0.625 | Remote Similarity | NPD5778 | Approved |
0.625 | Remote Similarity | NPD5779 | Approved |
0.6207 | Remote Similarity | NPD5785 | Approved |
0.6197 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6164 | Remote Similarity | NPD7331 | Phase 2 |
0.6164 | Remote Similarity | NPD3704 | Approved |
0.6136 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6102 | Remote Similarity | NPD2270 | Approved |
0.6071 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.6067 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.6067 | Remote Similarity | NPD6399 | Phase 3 |
0.6044 | Remote Similarity | NPD7839 | Suspended |
0.6032 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD5209 | Approved |
0.6 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD7637 | Suspended |
0.5857 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5824 | Remote Similarity | NPD7748 | Approved |
0.5806 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.5783 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD9448 | Phase 2 |
0.5763 | Remote Similarity | NPD633 | Phase 3 |
0.5761 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5747 | Remote Similarity | NPD5330 | Approved |
0.5747 | Remote Similarity | NPD7521 | Approved |
0.5747 | Remote Similarity | NPD7334 | Approved |
0.5747 | Remote Similarity | NPD6409 | Approved |
0.5747 | Remote Similarity | NPD7146 | Approved |
0.5747 | Remote Similarity | NPD6684 | Approved |
0.5745 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD1695 | Approved |
0.5714 | Remote Similarity | NPD4265 | Approved |
0.5698 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD4786 | Approved |
0.5676 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5647 | Remote Similarity | NPD3667 | Approved |
0.5638 | Remote Similarity | NPD7902 | Approved |
0.5625 | Remote Similarity | NPD5344 | Discontinued |
0.5618 | Remote Similarity | NPD6903 | Approved |
0.5618 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5604 | Remote Similarity | NPD7515 | Phase 2 |
0.56 | Remote Similarity | NPD7341 | Phase 2 |
PubChem CID   | 5283201 |
ChEMBL   | CHEMBL564452 |
ZINC   |
Molecular Weight:   | 320.24 |
ALogP:   | 0.1908 |
MLogP:   | 3.33 |
XLogP:   | 6.368 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 49.83 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 23 |