Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] | |||
NPO523 | Tussilago farfara | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | breast milk |
PMID[24027187] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[19309105] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[7729054] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[12097436] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[23940645] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[21359215] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO26530 | Passiflora bryonioides | Species | Passifloraceae | Eukaryota | UNPD* | |||
NPO21658 | Saccharomyces cerevisiae | Species | Saccharomycetaceae | Eukaryota |
PMID[4616942] |
|||
NPO26756 | Karlodinium veneficum | Species | Kareniaceae | Eukaryota | UNPD* | |||
NPO21658 | Saccharomyces cerevisiae | Species | Saccharomycetaceae | Eukaryota |
PMID[24678285] |
|||
NPO25841 | Caulophyllum thalictroides | Species | Berberidaceae | Eukaryota | UNPD* | |||
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[22289691] |
|||
NPO25652 | Clavulinopsis pulchra | Species | Clavariaceae | Eukaryota | UNPD* | |||
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO26402 | Caesalpinia crista | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO25867 | Malpighia emarginata | Species | Malpighiaceae | Eukaryota | UNPD* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO24543 | Platymiscium floribundum | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO26158 | Aspergillus carbonarius | Species | Aspergillaceae | Eukaryota | UNPD* | |||
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | TM-MC* | |||
NPO7552 | Alligator mississippiensis | Species | Alligatoridae | Eukaryota | UNPD* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO26748 | Leptoclinides dubius | Species | Didemnidae | Eukaryota | UNPD* | |||
NPO3107 | Bupleurum falcatum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO26831 | Buxus harlandi | Species | Buxaceae | Eukaryota | UNPD* | |||
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO28160 | Alchemilla vulgaris | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO25267 | Ardisia brevicaulis | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO14964 | Calvatia gigantea | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO4737 | Arum ternatum thunb | Species | Araceae | Eukaryota | TCMSP* | |||
NPO17030 | Calvatia lilacina | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO5800 | Radix salviae | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TM-MC* | |||
NPO16497 | Trichosanthes kirilowii maxim | Species | Cucurbitaceae | Eukaryota | TCMSP* | |||
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO29587 | Euryales semen | NA | NA | NA | TCMSP* | |||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO29555 | Evodiae fructus | NA | NA | NA | TCMSP* | |||
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | TM-MC* | |||
NPO12588 | Cornus officinalis | Species | Cornaceae | Eukaryota | TCMSP* | |||
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | TCMSP* | |||
NPO27952 | Rhizoma dioscoreae | NA | NA | NA | TCMSP* | |||
NPO26902 | Vigna radiata | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO2088 | Bamusaeconcretiosilicea | NA | NA | NA | TCMSP* | |||
NPO31886 | Streptomyces nrrl 5331 | Species | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Inhibition | = | 61 | % | 10450958 | |
NPT2 | Others | Unspecified | Potency | 3349.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 316.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 16353.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 41.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 6309.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 5623.4 | 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 NPC93888 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 | NPC270805 |
0.8542 | High Similarity | NPC327542 |
0.8444 | Intermediate Similarity | NPC226265 |
0.8444 | Intermediate Similarity | NPC219143 |
0.8222 | Intermediate Similarity | NPC168375 |
0.8222 | Intermediate Similarity | NPC326992 |
0.8222 | Intermediate Similarity | NPC121517 |
0.7959 | Intermediate Similarity | NPC181588 |
0.7872 | Intermediate Similarity | NPC167986 |
0.7872 | Intermediate Similarity | NPC291186 |
0.7818 | Intermediate Similarity | NPC112224 |
0.7818 | Intermediate Similarity | NPC93861 |
0.7818 | Intermediate Similarity | NPC327895 |
0.7818 | Intermediate Similarity | NPC43169 |
0.7708 | Intermediate Similarity | NPC126925 |
0.7708 | Intermediate Similarity | NPC325097 |
0.7708 | Intermediate Similarity | NPC132307 |
0.76 | Intermediate Similarity | NPC136159 |
0.7551 | Intermediate Similarity | NPC118459 |
0.7551 | Intermediate Similarity | NPC327698 |
0.7547 | Intermediate Similarity | NPC329495 |
0.75 | Intermediate Similarity | NPC107645 |
0.75 | Intermediate Similarity | NPC190385 |
0.7447 | Intermediate Similarity | NPC66043 |
0.7447 | Intermediate Similarity | NPC53449 |
0.74 | Intermediate Similarity | NPC309658 |
0.7333 | Intermediate Similarity | NPC272614 |
0.7333 | Intermediate Similarity | NPC116709 |
0.7333 | Intermediate Similarity | NPC21290 |
0.7308 | Intermediate Similarity | NPC286989 |
0.72 | Intermediate Similarity | NPC329263 |
0.717 | Intermediate Similarity | NPC198398 |
0.717 | Intermediate Similarity | NPC27359 |
0.717 | Intermediate Similarity | NPC295832 |
0.7111 | Intermediate Similarity | NPC191084 |
0.7111 | Intermediate Similarity | NPC250870 |
0.7111 | Intermediate Similarity | NPC168052 |
0.7059 | Intermediate Similarity | NPC136476 |
0.7059 | Intermediate Similarity | NPC49952 |
0.7 | Intermediate Similarity | NPC198301 |
0.6981 | Remote Similarity | NPC84636 |
0.6981 | Remote Similarity | NPC245027 |
0.6981 | Remote Similarity | NPC174246 |
0.6981 | Remote Similarity | NPC170739 |
0.6981 | Remote Similarity | NPC152451 |
0.6981 | Remote Similarity | NPC62045 |
0.6981 | Remote Similarity | NPC193989 |
0.6981 | Remote Similarity | NPC226027 |
0.6981 | Remote Similarity | NPC162620 |
0.6981 | Remote Similarity | NPC43204 |
0.6949 | Remote Similarity | NPC68974 |
0.6863 | Remote Similarity | NPC208793 |
0.6863 | Remote Similarity | NPC285322 |
0.6852 | Remote Similarity | NPC315977 |
0.6825 | Remote Similarity | NPC118524 |
0.6809 | Remote Similarity | NPC63621 |
0.6792 | Remote Similarity | NPC153370 |
0.6792 | Remote Similarity | NPC93081 |
0.6792 | Remote Similarity | NPC140872 |
0.6786 | Remote Similarity | NPC60672 |
0.6786 | Remote Similarity | NPC322091 |
0.6735 | Remote Similarity | NPC237525 |
0.6735 | Remote Similarity | NPC326212 |
0.6731 | Remote Similarity | NPC297220 |
0.6667 | Remote Similarity | NPC324825 |
0.6667 | Remote Similarity | NPC2801 |
0.6667 | Remote Similarity | NPC18188 |
0.6667 | Remote Similarity | NPC112890 |
0.6667 | Remote Similarity | NPC315199 |
0.6667 | Remote Similarity | NPC328378 |
0.6667 | Remote Similarity | NPC316231 |
0.6613 | Remote Similarity | NPC106216 |
0.6613 | Remote Similarity | NPC88898 |
0.6607 | Remote Similarity | NPC317815 |
0.6604 | Remote Similarity | NPC204364 |
0.6596 | Remote Similarity | NPC9294 |
0.6545 | Remote Similarity | NPC125736 |
0.6545 | Remote Similarity | NPC273330 |
0.6545 | Remote Similarity | NPC137958 |
0.65 | Remote Similarity | NPC473599 |
0.6491 | Remote Similarity | NPC316889 |
0.6491 | Remote Similarity | NPC321118 |
0.6444 | Remote Similarity | NPC84444 |
0.6444 | Remote Similarity | NPC145217 |
0.6429 | Remote Similarity | NPC315780 |
0.6415 | Remote Similarity | NPC213876 |
0.6415 | Remote Similarity | NPC185755 |
0.6415 | Remote Similarity | NPC198196 |
0.6379 | Remote Similarity | NPC102815 |
0.6316 | Remote Similarity | NPC197087 |
0.6316 | Remote Similarity | NPC190184 |
0.6308 | Remote Similarity | NPC196359 |
0.6308 | Remote Similarity | NPC78312 |
0.6308 | Remote Similarity | NPC135539 |
0.6308 | Remote Similarity | NPC221764 |
0.6275 | Remote Similarity | NPC326808 |
0.6275 | Remote Similarity | NPC254482 |
0.6275 | Remote Similarity | NPC110533 |
0.6275 | Remote Similarity | NPC317691 |
0.6271 | Remote Similarity | NPC38463 |
0.6226 | Remote Similarity | NPC191136 |
0.6222 | Remote Similarity | NPC141902 |
0.6212 | Remote Similarity | NPC107224 |
0.6207 | Remote Similarity | NPC279661 |
0.6207 | Remote Similarity | NPC183845 |
0.6167 | Remote Similarity | NPC278209 |
0.6154 | Remote Similarity | NPC276294 |
0.614 | Remote Similarity | NPC155156 |
0.614 | Remote Similarity | NPC200550 |
0.6102 | Remote Similarity | NPC327831 |
0.6066 | Remote Similarity | NPC176164 |
0.6066 | Remote Similarity | NPC189301 |
0.6038 | Remote Similarity | NPC323974 |
0.6034 | Remote Similarity | NPC123814 |
0.6 | Remote Similarity | NPC101249 |
0.6 | Remote Similarity | NPC325985 |
0.5968 | Remote Similarity | NPC321468 |
0.5968 | Remote Similarity | NPC254541 |
0.5968 | Remote Similarity | NPC317143 |
0.5968 | Remote Similarity | NPC316826 |
0.5968 | Remote Similarity | NPC327748 |
0.5965 | Remote Similarity | NPC114990 |
0.5962 | Remote Similarity | NPC35661 |
0.5957 | Remote Similarity | NPC114517 |
0.5918 | Remote Similarity | NPC5505 |
0.5902 | Remote Similarity | NPC318260 |
0.5902 | Remote Similarity | NPC317147 |
0.5893 | Remote Similarity | NPC96966 |
0.5893 | Remote Similarity | NPC227850 |
0.5893 | Remote Similarity | NPC29222 |
0.5893 | Remote Similarity | NPC121062 |
0.5882 | Remote Similarity | NPC474298 |
0.5882 | Remote Similarity | NPC28348 |
0.5882 | Remote Similarity | NPC473985 |
0.5882 | Remote Similarity | NPC475808 |
0.5882 | Remote Similarity | NPC474299 |
0.5873 | Remote Similarity | NPC329564 |
0.5873 | Remote Similarity | NPC327170 |
0.5873 | Remote Similarity | NPC321419 |
0.5846 | Remote Similarity | NPC145658 |
0.5833 | Remote Similarity | NPC322573 |
0.5818 | Remote Similarity | NPC228932 |
0.5806 | Remote Similarity | NPC302003 |
0.5806 | Remote Similarity | NPC245346 |
0.5806 | Remote Similarity | NPC11433 |
0.5778 | Remote Similarity | NPC126681 |
0.5775 | Remote Similarity | NPC476248 |
0.5763 | Remote Similarity | NPC325180 |
0.5763 | Remote Similarity | NPC474322 |
0.5763 | Remote Similarity | NPC35816 |
0.5758 | Remote Similarity | NPC160661 |
0.5758 | Remote Similarity | NPC472609 |
0.5745 | Remote Similarity | NPC313303 |
0.5714 | Remote Similarity | NPC276928 |
0.5714 | Remote Similarity | NPC64250 |
0.5714 | Remote Similarity | NPC316168 |
0.5714 | Remote Similarity | NPC320598 |
0.5714 | Remote Similarity | NPC321536 |
0.5714 | Remote Similarity | NPC268927 |
0.5714 | Remote Similarity | NPC118187 |
0.569 | Remote Similarity | NPC319175 |
0.5667 | Remote Similarity | NPC145235 |
0.5667 | Remote Similarity | NPC272396 |
0.566 | Remote Similarity | NPC24751 |
0.566 | Remote Similarity | NPC19044 |
0.566 | Remote Similarity | NPC121018 |
0.566 | Remote Similarity | NPC100742 |
0.566 | Remote Similarity | NPC97444 |
0.566 | Remote Similarity | NPC192402 |
0.5652 | Remote Similarity | NPC472579 |
0.5645 | Remote Similarity | NPC8979 |
0.5634 | Remote Similarity | NPC185084 |
0.5634 | Remote Similarity | NPC55274 |
0.5625 | Remote Similarity | NPC143722 |
0.5625 | Remote Similarity | NPC177191 |
0.5614 | Remote Similarity | NPC318523 |
0.5614 | Remote Similarity | NPC200618 |
0.5614 | Remote Similarity | NPC131770 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC93888 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 | NPD8624 | Approved |
0.8444 | Intermediate Similarity | NPD8217 | Clinical (unspecified phase) |
0.8444 | Intermediate Similarity | NPD8216 | Approved |
0.7959 | Intermediate Similarity | NPD8810 | Clinical (unspecified phase) |
0.7872 | Intermediate Similarity | NPD8805 | Approved |
0.7872 | Intermediate Similarity | NPD8804 | Approved |
0.7708 | Intermediate Similarity | NPD8798 | Approved |
0.75 | Intermediate Similarity | NPD9023 | Clinical (unspecified phase) |
0.7458 | Intermediate Similarity | NPD1151 | Approved |
0.7333 | Intermediate Similarity | NPD8210 | Phase 3 |
0.7333 | Intermediate Similarity | NPD8211 | Approved |
0.717 | Intermediate Similarity | NPD9226 | Approved |
0.717 | Intermediate Similarity | NPD9225 | Phase 3 |
0.7059 | Intermediate Similarity | NPD8801 | Approved |
0.6981 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6981 | Remote Similarity | NPD8802 | Approved |
0.6981 | Remote Similarity | NPD9018 | Approved |
0.6981 | Remote Similarity | NPD9017 | Approved |
0.6981 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.6981 | Remote Similarity | NPD9021 | Approved |
0.6863 | Remote Similarity | NPD8610 | Approved |
0.6852 | Remote Similarity | NPD9025 | Approved |
0.6792 | Remote Similarity | NPD8808 | Approved |
0.6792 | Remote Similarity | NPD8809 | Approved |
0.6792 | Remote Similarity | NPD8614 | Approved |
0.6667 | Remote Similarity | NPD9044 | Approved |
0.6667 | Remote Similarity | NPD8623 | Phase 1 |
0.6667 | Remote Similarity | NPD9442 | Clinical (unspecified phase) |
0.6562 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.6545 | Remote Similarity | NPD8871 | Approved |
0.6545 | Remote Similarity | NPD8872 | Phase 3 |
0.6415 | Remote Similarity | NPD9020 | Approved |
0.6415 | Remote Similarity | NPD8982 | Approved |
0.6316 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD8851 | Phase 1 |
0.6316 | Remote Similarity | NPD8785 | Approved |
0.6308 | Remote Similarity | NPD8868 | Approved |
0.6275 | Remote Similarity | NPD8215 | Approved |
0.6275 | Remote Similarity | NPD8609 | Approved |
0.6275 | Remote Similarity | NPD8214 | Approved |
0.6271 | Remote Similarity | NPD9659 | Approved |
0.6182 | Remote Similarity | NPD8873 | Approved |
0.6102 | Remote Similarity | NPD8812 | Phase 3 |
0.6102 | Remote Similarity | NPD8813 | Phase 3 |
0.6066 | Remote Similarity | NPD9433 | Approved |
0.6038 | Remote Similarity | NPD9019 | Approved |
0.6034 | Remote Similarity | NPD3215 | Phase 1 |
0.6 | Remote Similarity | NPD8867 | Approved |
0.6 | Remote Similarity | NPD8866 | Approved |
0.5932 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD8865 | Approved |
0.5789 | Remote Similarity | NPD8947 | Approved |
0.5789 | Remote Similarity | NPD8946 | Approved |
0.5778 | Remote Similarity | NPD7371 | Approved |
0.5763 | Remote Similarity | NPD9660 | Approved |
0.5745 | Remote Similarity | NPD8558 | Approved |
0.5745 | Remote Similarity | NPD8557 | Approved |
0.5738 | Remote Similarity | NPD8979 | Approved |
0.5738 | Remote Similarity | NPD8980 | Approved |
0.5738 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8209 | Phase 2 |
0.5714 | Remote Similarity | NPD398 | Approved |
0.5714 | Remote Similarity | NPD8208 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD399 | Approved |
0.5714 | Remote Similarity | NPD400 | Approved |
0.5714 | Remote Similarity | NPD8850 | Approved |
0.5714 | Remote Similarity | NPD8973 | Approved |
0.5714 | Remote Similarity | NPD8972 | Approved |
0.569 | Remote Similarity | NPD3214 | Discontinued |
0.566 | Remote Similarity | NPD8602 | Approved |
0.566 | Remote Similarity | NPD8604 | Approved |
0.566 | Remote Similarity | NPD8605 | Approved |
0.566 | Remote Similarity | NPD8601 | Approved |
0.566 | Remote Similarity | NPD8603 | Approved |
0.566 | Remote Similarity | NPD8600 | Approved |
0.566 | Remote Similarity | NPD8598 | Approved |
0.566 | Remote Similarity | NPD8599 | Approved |
PubChem CID   | 6288;6971019 |
ChEMBL   | CHEMBL291747 |
ZINC   |
Molecular Weight:   | 119.06 |
ALogP:   | -1.6062 |
MLogP:   | 1.46 |
XLogP:   | -3.496 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 83.55 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 8 |