Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[7172404] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 814000 | nM | 17682095 | |
NPT876 | Individual Protein | Guanine deaminase | Homo sapiens | Ki | = | 4440 | nM | 20716488 |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 18526 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | AC50 | 90460 | nM | PubChem BioAssay data set | ||
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 259.3 | nM | PubChem BioAssay data set | |
NPT160 | Individual Protein | TAR DNA-binding protein 43 | Homo sapiens | Potency | 1778.3 | nM | PubChem BioAssay data set | |
NPT91 | Cell Line | KB | Homo sapiens | GI | = | 20 | % | 24256410 |
NPT2 | Others | Unspecified | Potency | 28183.8 | 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 NPC293163 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 |
---|---|---|
0.9684 | High Similarity | NPC59314 |
0.8932 | High Similarity | NPC41958 |
0.8846 | High Similarity | NPC313547 |
0.8571 | High Similarity | NPC320256 |
0.8 | Intermediate Similarity | NPC119133 |
0.79 | Intermediate Similarity | NPC51000 |
0.7797 | Intermediate Similarity | NPC14330 |
0.7788 | Intermediate Similarity | NPC327579 |
0.7731 | Intermediate Similarity | NPC287876 |
0.7642 | Intermediate Similarity | NPC10466 |
0.757 | Intermediate Similarity | NPC476099 |
0.7387 | Intermediate Similarity | NPC4837 |
0.7387 | Intermediate Similarity | NPC312187 |
0.7345 | Intermediate Similarity | NPC327613 |
0.7248 | Intermediate Similarity | NPC18335 |
0.7155 | Intermediate Similarity | NPC278549 |
0.7143 | Intermediate Similarity | NPC9639 |
0.713 | Intermediate Similarity | NPC63433 |
0.7091 | Intermediate Similarity | NPC476562 |
0.7009 | Intermediate Similarity | NPC240084 |
0.7 | Intermediate Similarity | NPC5707 |
0.6983 | Remote Similarity | NPC148385 |
0.6929 | Remote Similarity | NPC262926 |
0.6909 | Remote Similarity | NPC476561 |
0.6905 | Remote Similarity | NPC57279 |
0.6885 | Remote Similarity | NPC248007 |
0.688 | Remote Similarity | NPC246193 |
0.6875 | Remote Similarity | NPC61198 |
0.6827 | Remote Similarity | NPC290449 |
0.675 | Remote Similarity | NPC252603 |
0.6696 | Remote Similarity | NPC111132 |
0.6641 | Remote Similarity | NPC324009 |
0.6639 | Remote Similarity | NPC139776 |
0.6617 | Remote Similarity | NPC186619 |
0.6613 | Remote Similarity | NPC15566 |
0.661 | Remote Similarity | NPC199790 |
0.6589 | Remote Similarity | NPC319221 |
0.6583 | Remote Similarity | NPC189314 |
0.6583 | Remote Similarity | NPC68938 |
0.6579 | Remote Similarity | NPC155498 |
0.6519 | Remote Similarity | NPC251233 |
0.6519 | Remote Similarity | NPC211820 |
0.6519 | Remote Similarity | NPC318590 |
0.6518 | Remote Similarity | NPC174114 |
0.6518 | Remote Similarity | NPC87981 |
0.6515 | Remote Similarity | NPC30326 |
0.6508 | Remote Similarity | NPC180462 |
0.6508 | Remote Similarity | NPC144223 |
0.6491 | Remote Similarity | NPC476564 |
0.6484 | Remote Similarity | NPC243319 |
0.6471 | Remote Similarity | NPC177169 |
0.6471 | Remote Similarity | NPC89147 |
0.6471 | Remote Similarity | NPC317746 |
0.6471 | Remote Similarity | NPC274384 |
0.6444 | Remote Similarity | NPC315642 |
0.6444 | Remote Similarity | NPC74306 |
0.6423 | Remote Similarity | NPC232408 |
0.6423 | Remote Similarity | NPC64705 |
0.6393 | Remote Similarity | NPC158847 |
0.6356 | Remote Similarity | NPC47936 |
0.6324 | Remote Similarity | NPC8590 |
0.6241 | Remote Similarity | NPC320818 |
0.6183 | Remote Similarity | NPC235501 |
0.6176 | Remote Similarity | NPC185903 |
0.6174 | Remote Similarity | NPC273327 |
0.6087 | Remote Similarity | NPC187191 |
0.6087 | Remote Similarity | NPC326248 |
0.6074 | Remote Similarity | NPC18223 |
0.6074 | Remote Similarity | NPC237812 |
0.6058 | Remote Similarity | NPC286696 |
0.605 | Remote Similarity | NPC75131 |
0.6016 | Remote Similarity | NPC109322 |
0.5985 | Remote Similarity | NPC104011 |
0.5984 | Remote Similarity | NPC256849 |
0.5969 | Remote Similarity | NPC180493 |
0.5942 | Remote Similarity | NPC317821 |
0.587 | Remote Similarity | NPC129756 |
0.5865 | Remote Similarity | NPC237936 |
0.5854 | Remote Similarity | NPC303899 |
0.5845 | Remote Similarity | NPC327477 |
0.5828 | Remote Similarity | NPC14590 |
0.5821 | Remote Similarity | NPC25465 |
0.5797 | Remote Similarity | NPC33996 |
0.5793 | Remote Similarity | NPC150853 |
0.5775 | Remote Similarity | NPC174020 |
0.5775 | Remote Similarity | NPC21448 |
0.5775 | Remote Similarity | NPC156461 |
0.5775 | Remote Similarity | NPC107374 |
0.5745 | Remote Similarity | NPC229974 |
0.5734 | Remote Similarity | NPC164665 |
0.5734 | Remote Similarity | NPC189068 |
0.5714 | Remote Similarity | NPC161659 |
0.5714 | Remote Similarity | NPC209525 |
0.5694 | Remote Similarity | NPC219313 |
0.5694 | Remote Similarity | NPC269827 |
0.5694 | Remote Similarity | NPC309832 |
0.5643 | Remote Similarity | NPC210947 |
0.5638 | Remote Similarity | NPC60537 |
0.5634 | Remote Similarity | NPC314152 |
0.5616 | Remote Similarity | NPC136349 |
0.5608 | Remote Similarity | NPC328479 |
0.5608 | Remote Similarity | NPC282531 |
0.5608 | Remote Similarity | NPC321052 |
0.56 | Remote Similarity | NPC52238 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC293163 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 |
---|---|---|---|
0.9684 | High Similarity | NPD8837 | Clinical (unspecified phase) |
0.8519 | High Similarity | NPD9360 | Approved |
0.8302 | Intermediate Similarity | NPD9375 | Discontinued |
0.8073 | Intermediate Similarity | NPD9374 | Approved |
0.8 | Intermediate Similarity | NPD9291 | Approved |
0.79 | Intermediate Similarity | NPD8838 | Approved |
0.789 | Intermediate Similarity | NPD9373 | Approved |
0.7788 | Intermediate Similarity | NPD307 | Approved |
0.7788 | Intermediate Similarity | NPD9607 | Approved |
0.7736 | Intermediate Similarity | NPD9626 | Clinical (unspecified phase) |
0.7731 | Intermediate Similarity | NPD8829 | Clinical (unspecified phase) |
0.7719 | Intermediate Similarity | NPD9409 | Discontinued |
0.7699 | Intermediate Similarity | NPD237 | Clinical (unspecified phase) |
0.7699 | Intermediate Similarity | NPD9606 | Approved |
0.7541 | Intermediate Similarity | NPD9083 | Clinical (unspecified phase) |
0.7541 | Intermediate Similarity | NPD209 | Clinical (unspecified phase) |
0.7333 | Intermediate Similarity | NPD515 | Phase 1 |
0.7248 | Intermediate Similarity | NPD8836 | Approved |
0.7232 | Intermediate Similarity | NPD8954 | Approved |
0.7232 | Intermediate Similarity | NPD8955 | Approved |
0.704 | Intermediate Similarity | NPD547 | Clinical (unspecified phase) |
0.704 | Intermediate Similarity | NPD545 | Clinical (unspecified phase) |
0.7008 | Intermediate Similarity | NPD1121 | Approved |
0.7008 | Intermediate Similarity | NPD1120 | Approved |
0.7 | Intermediate Similarity | NPD8830 | Phase 3 |
0.6929 | Remote Similarity | NPD194 | Clinical (unspecified phase) |
0.6899 | Remote Similarity | NPD1808 | Phase 1 |
0.6893 | Remote Similarity | NPD9103 | Approved |
0.6893 | Remote Similarity | NPD9102 | Approved |
0.6885 | Remote Similarity | NPD9084 | Phase 2 |
0.688 | Remote Similarity | NPD9632 | Phase 3 |
0.6875 | Remote Similarity | NPD252 | Clinical (unspecified phase) |
0.6847 | Remote Similarity | NPD341 | Approved |
0.6847 | Remote Similarity | NPD340 | Approved |
0.675 | Remote Similarity | NPD9289 | Approved |
0.675 | Remote Similarity | NPD76 | Approved |
0.675 | Remote Similarity | NPD9292 | Approved |
0.675 | Remote Similarity | NPD9288 | Approved |
0.6742 | Remote Similarity | NPD1431 | Approved |
0.6742 | Remote Similarity | NPD1430 | Approved |
0.6696 | Remote Similarity | NPD8861 | Approved |
0.6696 | Remote Similarity | NPD8859 | Approved |
0.6696 | Remote Similarity | NPD8862 | Approved |
0.6583 | Remote Similarity | NPD8833 | Approved |
0.6583 | Remote Similarity | NPD8831 | Approved |
0.6541 | Remote Similarity | NPD549 | Approved |
0.6484 | Remote Similarity | NPD9081 | Clinical (unspecified phase) |
0.648 | Remote Similarity | NPD579 | Clinical (unspecified phase) |
0.6444 | Remote Similarity | NPD582 | Approved |
0.6422 | Remote Similarity | NPD9101 | Discontinued |
0.6378 | Remote Similarity | NPD300 | Approved |
0.6331 | Remote Similarity | NPD775 | Approved |
0.6328 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.6312 | Remote Similarity | NPD7842 | Phase 2 |
0.6288 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.6197 | Remote Similarity | NPD3086 | Phase 3 |
0.6172 | Remote Similarity | NPD9408 | Phase 3 |
0.6148 | Remote Similarity | NPD9584 | Phase 2 |
0.6148 | Remote Similarity | NPD9086 | Approved |
0.6127 | Remote Similarity | NPD3085 | Phase 1 |
0.6107 | Remote Similarity | NPD248 | Discontinued |
0.6102 | Remote Similarity | NPD1816 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD9132 | Discontinued |
0.6087 | Remote Similarity | NPD1117 | Clinical (unspecified phase) |
0.6074 | Remote Similarity | NPD9133 | Approved |
0.6061 | Remote Similarity | NPD9650 | Phase 3 |
0.6055 | Remote Similarity | NPD8835 | Approved |
0.6031 | Remote Similarity | NPD9633 | Phase 3 |
0.6016 | Remote Similarity | NPD757 | Phase 3 |
0.6016 | Remote Similarity | NPD798 | Discontinued |
0.6 | Remote Similarity | NPD578 | Discontinued |
0.5984 | Remote Similarity | NPD9358 | Approved |
0.5984 | Remote Similarity | NPD9359 | Approved |
0.5972 | Remote Similarity | NPD353 | Discontinued |
0.5971 | Remote Similarity | NPD1451 | Approved |
0.5969 | Remote Similarity | NPD78 | Approved |
0.5969 | Remote Similarity | NPD9544 | Approved |
0.5957 | Remote Similarity | NPD1730 | Discontinued |
0.5956 | Remote Similarity | NPD9628 | Approved |
0.5946 | Remote Similarity | NPD4074 | Clinical (unspecified phase) |
0.594 | Remote Similarity | NPD282 | Approved |
0.5929 | Remote Similarity | NPD5342 | Clinical (unspecified phase) |
0.5923 | Remote Similarity | NPD281 | Approved |
0.5865 | Remote Similarity | NPD8185 | Discontinued |
0.5865 | Remote Similarity | NPD8186 | Phase 1 |
0.5857 | Remote Similarity | NPD9183 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD1128 | Approved |
0.5833 | Remote Similarity | NPD1127 | Approved |
0.5794 | Remote Similarity | NPD1368 | Approved |
0.5782 | Remote Similarity | NPD1731 | Clinical (unspecified phase) |
0.5775 | Remote Similarity | NPD249 | Approved |
0.5775 | Remote Similarity | NPD250 | Approved |
0.5725 | Remote Similarity | NPD1389 | Clinical (unspecified phase) |
0.5725 | Remote Similarity | NPD1390 | Phase 1 |
0.5725 | Remote Similarity | NPD1388 | Phase 1 |
0.5714 | Remote Similarity | NPD536 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD1354 | Approved |
0.5714 | Remote Similarity | NPD1355 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD705 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD1356 | Approved |
0.5703 | Remote Similarity | NPD580 | Discontinued |
0.5694 | Remote Similarity | NPD195 | Approved |
0.5694 | Remote Similarity | NPD186 | Discovery |
0.5694 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.5685 | Remote Similarity | NPD3708 | Phase 2 |
0.5682 | Remote Similarity | NPD4812 | Phase 1 |
0.5676 | Remote Similarity | NPD1369 | Phase 2 |
0.5676 | Remote Similarity | NPD1750 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD213 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD214 | Approved |
0.5672 | Remote Similarity | NPD1807 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD3405 | Phase 3 |
0.5667 | Remote Similarity | NPD2624 | Phase 2 |
0.5664 | Remote Similarity | NPD9627 | Approved |
0.5659 | Remote Similarity | NPD9290 | Approved |
0.5638 | Remote Similarity | NPD2180 | Approved |
0.5634 | Remote Similarity | NPD185 | Approved |
0.5616 | Remote Similarity | NPD548 | Clinical (unspecified phase) |
0.5615 | Remote Similarity | NPD2221 | Clinical (unspecified phase) |
0.5603 | Remote Similarity | NPD193 | Suspended |
0.5603 | Remote Similarity | NPD1118 | Discontinued |
PubChem CID   | 9679 |
ChEMBL   | CHEMBL1610 |
ZINC   |
Molecular Weight:   | 126.05 |
ALogP:   | -1.2519 |
MLogP:   | 1.35 |
XLogP:   | 0.25 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 98.78 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 9 |