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] | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood serum |
PMID[25518943] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[12535838] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | bile |
PMID[11887176] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[18953024] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | amniotic fluid |
PMID[16139832] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[11887176] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO29703 | Abri herba | NA | NA | NA | TCMSP* | |||
NPO236 | Sojae semen nigrum | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT875 | Organism | Bos taurus | Bos taurus | Inhibition | = | 5 | % | 8496914 |
NPT2 | Others | Unspecified | Inhibition | = | 7 | % | 8496914 | |
NPT2 | Others | Unspecified | Inhibition | = | 0.5 | % | 8496914 | |
NPT614 | Tissue | Plasma | Rattus norvegicus | Ratio | = | 0.78 | 18314329 | |
NPT2 | Others | Unspecified | Activity | = | 0.72 | 18819812 | ||
NPT2 | Others | Unspecified | Activity | = | 0.02 | 18819812 | ||
NPT2 | Others | Unspecified | IC50 | = | 113000 | nM | 20004571 | |
NPT2 | Others | Unspecified | IC50 | = | 96000 | nM | 20004571 | |
NPT2 | Others | Unspecified | IC50 | = | 60000 | nM | 20004571 | |
NPT2 | Others | Unspecified | IC50 | = | 101000 | nM | 20004571 | |
NPT876 | Individual Protein | Guanine deaminase | Homo sapiens | Ki | = | 4340 | nM | 20716488 |
NPT2 | Others | Unspecified | IC50 | = | 100000 | nM | 21840216 | |
NPT669 | Individual Protein | Solute carrier family 22 member 8 | Homo sapiens | Ki | = | 275000 | nM | 14586168 |
NPT877 | Individual Protein | Solute carrier family 22 member 8 | Mus musculus | Activity | = | 19.9 | % | 14762099 |
NPT587 | Tissue | Liver microsome | Rattus norvegicus | IC50 | > | 300000 | nM | 24216095 |
NPT1 | Others | Radical scavenging activity | Activity | = | 0.63 | 10'3/M/s | 24216095 | |
NPT2 | Others | Unspecified | Ratio | = | 0 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 25.7 | 24507926 | ||
NPT35 | Others | n.a. | Ratio | = | 436 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 222 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 0.894 | 24507926 | ||
NPT1 | Others | Radical scavenging activity | Activity | = | 0.7 | 10'3/M/s | 10.1039/C2MD20287E |
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 NPC5707 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 |
---|---|---|
0.925 | High Similarity | NPC287876 |
0.9167 | High Similarity | NPC14330 |
0.8739 | High Similarity | NPC139776 |
0.8525 | High Similarity | NPC248007 |
0.7899 | Intermediate Similarity | NPC312187 |
0.7899 | Intermediate Similarity | NPC4837 |
0.7719 | Intermediate Similarity | NPC320256 |
0.7479 | Intermediate Similarity | NPC476564 |
0.7368 | Intermediate Similarity | NPC246193 |
0.7333 | Intermediate Similarity | NPC18335 |
0.7007 | Intermediate Similarity | NPC57279 |
0.7 | Intermediate Similarity | NPC293163 |
0.6967 | Remote Similarity | NPC59314 |
0.6933 | Remote Similarity | NPC52238 |
0.6911 | Remote Similarity | NPC476562 |
0.6887 | Remote Similarity | NPC313754 |
0.6887 | Remote Similarity | NPC54320 |
0.6887 | Remote Similarity | NPC311197 |
0.6803 | Remote Similarity | NPC87981 |
0.6803 | Remote Similarity | NPC174114 |
0.6718 | Remote Similarity | NPC189314 |
0.6718 | Remote Similarity | NPC68938 |
0.6667 | Remote Similarity | NPC41958 |
0.6582 | Remote Similarity | NPC261595 |
0.6541 | Remote Similarity | NPC321458 |
0.6541 | Remote Similarity | NPC324033 |
0.6489 | Remote Similarity | NPC313547 |
0.648 | Remote Similarity | NPC476561 |
0.6383 | Remote Similarity | NPC104011 |
0.6327 | Remote Similarity | NPC317821 |
0.6303 | Remote Similarity | NPC164845 |
0.6299 | Remote Similarity | NPC10466 |
0.6296 | Remote Similarity | NPC158847 |
0.6259 | Remote Similarity | NPC129756 |
0.625 | Remote Similarity | NPC476099 |
0.6241 | Remote Similarity | NPC199790 |
0.6225 | Remote Similarity | NPC164665 |
0.6222 | Remote Similarity | NPC240084 |
0.6207 | Remote Similarity | NPC321929 |
0.619 | Remote Similarity | NPC33996 |
0.6169 | Remote Similarity | NPC150853 |
0.6159 | Remote Similarity | NPC107374 |
0.6159 | Remote Similarity | NPC21448 |
0.6159 | Remote Similarity | NPC156461 |
0.6133 | Remote Similarity | NPC229974 |
0.6118 | Remote Similarity | NPC189068 |
0.6107 | Remote Similarity | NPC209525 |
0.6107 | Remote Similarity | NPC161659 |
0.6078 | Remote Similarity | NPC219313 |
0.6078 | Remote Similarity | NPC309832 |
0.6078 | Remote Similarity | NPC269827 |
0.6077 | Remote Similarity | NPC119133 |
0.6026 | Remote Similarity | NPC314152 |
0.6014 | Remote Similarity | NPC327579 |
0.6 | Remote Similarity | NPC136349 |
0.5924 | Remote Similarity | NPC185991 |
0.5924 | Remote Similarity | NPC211025 |
0.5924 | Remote Similarity | NPC85689 |
0.5912 | Remote Similarity | NPC248627 |
0.5886 | Remote Similarity | NPC472816 |
0.5886 | Remote Similarity | NPC328479 |
0.5886 | Remote Similarity | NPC321814 |
0.587 | Remote Similarity | NPC278549 |
0.5858 | Remote Similarity | NPC313897 |
0.5854 | Remote Similarity | NPC290449 |
0.5849 | Remote Similarity | NPC212551 |
0.5849 | Remote Similarity | NPC302778 |
0.5849 | Remote Similarity | NPC164952 |
0.5849 | Remote Similarity | NPC130586 |
0.5846 | Remote Similarity | NPC75844 |
0.5839 | Remote Similarity | NPC148385 |
0.5839 | Remote Similarity | NPC239737 |
0.5833 | Remote Similarity | NPC121222 |
0.5833 | Remote Similarity | NPC163105 |
0.5813 | Remote Similarity | NPC174802 |
0.5802 | Remote Similarity | NPC195140 |
0.5786 | Remote Similarity | NPC252603 |
0.5776 | Remote Similarity | NPC224076 |
0.5746 | Remote Similarity | NPC27699 |
0.5741 | Remote Similarity | NPC226245 |
0.5741 | Remote Similarity | NPC316618 |
0.5741 | Remote Similarity | NPC93365 |
0.5725 | Remote Similarity | NPC63433 |
0.5723 | Remote Similarity | NPC161224 |
0.5706 | Remote Similarity | NPC313514 |
0.5687 | Remote Similarity | NPC207633 |
0.5669 | Remote Similarity | NPC51000 |
0.5662 | Remote Similarity | NPC329046 |
0.5638 | Remote Similarity | NPC324009 |
0.56 | Remote Similarity | NPC319221 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC5707 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 | NPD8830 | Phase 3 |
0.925 | High Similarity | NPD8829 | Clinical (unspecified phase) |
0.8871 | High Similarity | NPD9083 | Clinical (unspecified phase) |
0.8525 | High Similarity | NPD9084 | Phase 2 |
0.7376 | Intermediate Similarity | NPD1730 | Discontinued |
0.7333 | Intermediate Similarity | NPD8836 | Approved |
0.7027 | Intermediate Similarity | NPD213 | Clinical (unspecified phase) |
0.7027 | Intermediate Similarity | NPD214 | Approved |
0.6967 | Remote Similarity | NPD8837 | Clinical (unspecified phase) |
0.6887 | Remote Similarity | NPD217 | Approved |
0.6887 | Remote Similarity | NPD220 | Clinical (unspecified phase) |
0.6887 | Remote Similarity | NPD218 | Approved |
0.6887 | Remote Similarity | NPD219 | Phase 3 |
0.6887 | Remote Similarity | NPD216 | Approved |
0.6718 | Remote Similarity | NPD8831 | Approved |
0.6718 | Remote Similarity | NPD8833 | Approved |
0.6582 | Remote Similarity | NPD247 | Clinical (unspecified phase) |
0.6569 | Remote Similarity | NPD9408 | Phase 3 |
0.6475 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.6434 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD9633 | Phase 3 |
0.6418 | Remote Similarity | NPD237 | Clinical (unspecified phase) |
0.6418 | Remote Similarity | NPD9360 | Approved |
0.6383 | Remote Similarity | NPD248 | Discontinued |
0.6336 | Remote Similarity | NPD9375 | Discontinued |
0.6286 | Remote Similarity | NPD9366 | Approved |
0.6233 | Remote Similarity | NPD9551 | Approved |
0.6233 | Remote Similarity | NPD9550 | Approved |
0.6207 | Remote Similarity | NPD8827 | Approved |
0.6194 | Remote Similarity | NPD9374 | Approved |
0.6167 | Remote Similarity | NPD9102 | Approved |
0.6167 | Remote Similarity | NPD9103 | Approved |
0.6159 | Remote Similarity | NPD249 | Approved |
0.6159 | Remote Similarity | NPD250 | Approved |
0.6084 | Remote Similarity | NPD9571 | Approved |
0.6078 | Remote Similarity | NPD195 | Approved |
0.6078 | Remote Similarity | NPD186 | Discovery |
0.6077 | Remote Similarity | NPD9291 | Approved |
0.6045 | Remote Similarity | NPD9373 | Approved |
0.6026 | Remote Similarity | NPD185 | Approved |
0.6014 | Remote Similarity | NPD9607 | Approved |
0.6014 | Remote Similarity | NPD307 | Approved |
0.6 | Remote Similarity | NPD548 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD193 | Suspended |
0.5971 | Remote Similarity | NPD9409 | Discontinued |
0.5962 | Remote Similarity | NPD3708 | Phase 2 |
0.5949 | Remote Similarity | NPD1750 | Clinical (unspecified phase) |
0.5949 | Remote Similarity | NPD1369 | Phase 2 |
0.5948 | Remote Similarity | NPD166 | Approved |
0.5942 | Remote Similarity | NPD9606 | Approved |
0.5938 | Remote Similarity | NPD2624 | Phase 2 |
0.5924 | Remote Similarity | NPD283 | Approved |
0.5909 | Remote Similarity | NPD4054 | Clinical (unspecified phase) |
0.5894 | Remote Similarity | NPD3695 | Approved |
0.5894 | Remote Similarity | NPD3696 | Approved |
0.5882 | Remote Similarity | NPD9704 | Approved |
0.5849 | Remote Similarity | NPD242 | Approved |
0.5849 | Remote Similarity | NPD338 | Approved |
0.5849 | Remote Similarity | NPD3107 | Discontinued |
0.5846 | Remote Similarity | NPD8566 | Approved |
0.5844 | Remote Similarity | NPD7158 | Phase 1 |
0.5839 | Remote Similarity | NPD2646 | Discontinued |
0.5839 | Remote Similarity | NPD1732 | Phase 3 |
0.5828 | Remote Similarity | NPD516 | Clinical (unspecified phase) |
0.5813 | Remote Similarity | NPD339 | Approved |
0.5811 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.5786 | Remote Similarity | NPD9292 | Approved |
0.5786 | Remote Similarity | NPD9288 | Approved |
0.5786 | Remote Similarity | NPD9289 | Approved |
0.5786 | Remote Similarity | NPD76 | Approved |
0.5779 | Remote Similarity | NPD4240 | Approved |
0.5776 | Remote Similarity | NPD169 | Phase 2 |
0.5758 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.5746 | Remote Similarity | NPD9071 | Phase 3 |
0.5746 | Remote Similarity | NPD8571 | Phase 3 |
0.5742 | Remote Similarity | NPD171 | Discontinued |
0.5741 | Remote Similarity | NPD546 | Clinical (unspecified phase) |
0.5724 | Remote Similarity | NPD515 | Phase 1 |
0.5724 | Remote Similarity | NPD8826 | Approved |
0.5706 | Remote Similarity | NPD7138 | Phase 2 |
0.5669 | Remote Similarity | NPD8838 | Approved |
0.5608 | Remote Similarity | NPD796 | Phase 2 |
0.56 | Remote Similarity | NPD1058 | Discontinued |
Molecular Weight:   | 168.03 |
ALogP:   | -1.8013 |
MLogP:   | 1.24 |
XLogP:   | -1.533 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 115.15 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 4 |
# Rings:   | 2 |
# Heavy Atoms:   | 12 |