Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood serum |
PMID[25518943] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[15537072] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22727327] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[17684518] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[15529418] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | TM-MC* | |||
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Ki | = | 21000 | nM | 8230124 |
NPT2554 | Protein Family | Adenosine A2 receptor | Rattus norvegicus | Ki | = | 32000 | nM | 8230124 |
NPT2 | Others | Unspecified | IC50 | = | 480000 | nM | 20004571 | |
NPT2 | Others | Unspecified | IC50 | = | 360000 | nM | 20004571 | |
NPT2 | Others | Unspecified | IC50 | = | 440000 | nM | 20004571 | |
NPT2 | Others | Unspecified | IC50 | = | 200000 | nM | 20004571 | |
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 4.5 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 12589.3 | nM | PubChem BioAssay data set | |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT794 | Individual Protein | Endonuclease 4 | Escherichia coli K-12 | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT796 | Individual Protein | Peripheral myelin protein 22 | Homo sapiens | Potency | = | 84921.4 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 3162.3 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 15848.9 | nM | PubChem BioAssay data set | |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 631 | nM | PubChem BioAssay data set |
NPT583 | Individual Protein | Inositol monophosphatase 1 | Rattus norvegicus | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 44.7 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 22.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 10000 | nM | PubChem BioAssay data set | ||
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 112201.8 | nM | PubChem BioAssay data set | |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | 1258.9 | nM | PubChem BioAssay data set | |
NPT19 | Organism | Escherichia coli | Escherichia coli | AC50 | = | 23319 | nM | PubChem BioAssay data set |
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | 168.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 7079.5 | nM | PubChem BioAssay data set | ||
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 88.58 | % | 23571415 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 94.78 | % | 23571415 |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 6309.6 | 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 NPC47936 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 |
---|---|---|
0.9608 | High Similarity | NPC75131 |
0.9083 | High Similarity | NPC278549 |
0.9065 | High Similarity | NPC256849 |
0.8889 | High Similarity | NPC303899 |
0.8636 | High Similarity | NPC199790 |
0.8609 | High Similarity | NPC109322 |
0.8534 | High Similarity | NPC180493 |
0.8421 | Intermediate Similarity | NPC252603 |
0.8393 | Intermediate Similarity | NPC148385 |
0.8174 | Intermediate Similarity | NPC158847 |
0.7679 | Intermediate Similarity | NPC119133 |
0.7568 | Intermediate Similarity | NPC476561 |
0.7348 | Intermediate Similarity | NPC167285 |
0.7348 | Intermediate Similarity | NPC226184 |
0.7348 | Intermediate Similarity | NPC76544 |
0.7345 | Intermediate Similarity | NPC10466 |
0.7281 | Intermediate Similarity | NPC476099 |
0.713 | Intermediate Similarity | NPC476562 |
0.7021 | Intermediate Similarity | NPC321052 |
0.7 | Intermediate Similarity | NPC41958 |
0.6838 | Remote Similarity | NPC476564 |
0.6724 | Remote Similarity | NPC174114 |
0.6724 | Remote Similarity | NPC87981 |
0.6643 | Remote Similarity | NPC326694 |
0.661 | Remote Similarity | NPC59314 |
0.6525 | Remote Similarity | NPC273327 |
0.6423 | Remote Similarity | NPC312187 |
0.6423 | Remote Similarity | NPC4837 |
0.6418 | Remote Similarity | NPC246193 |
0.6412 | Remote Similarity | NPC248007 |
0.6406 | Remote Similarity | NPC327579 |
0.6356 | Remote Similarity | NPC293163 |
0.6348 | Remote Similarity | NPC51000 |
0.6316 | Remote Similarity | NPC144223 |
0.6304 | Remote Similarity | NPC320818 |
0.6183 | Remote Similarity | NPC139776 |
0.6176 | Remote Similarity | NPC104011 |
0.6148 | Remote Similarity | NPC18335 |
0.605 | Remote Similarity | NPC320256 |
0.6028 | Remote Similarity | NPC470141 |
0.6016 | Remote Similarity | NPC313547 |
0.6014 | Remote Similarity | NPC470138 |
0.5903 | Remote Similarity | NPC317821 |
0.5902 | Remote Similarity | NPC326248 |
0.5902 | Remote Similarity | NPC187191 |
0.5874 | Remote Similarity | NPC33996 |
0.5857 | Remote Similarity | NPC57279 |
0.5833 | Remote Similarity | NPC129756 |
0.5827 | Remote Similarity | NPC287876 |
0.5821 | Remote Similarity | NPC470142 |
0.5793 | Remote Similarity | NPC161659 |
0.5793 | Remote Similarity | NPC209525 |
0.5775 | Remote Similarity | NPC126634 |
0.5775 | Remote Similarity | NPC262926 |
0.5769 | Remote Similarity | NPC327613 |
0.5755 | Remote Similarity | NPC14330 |
0.5734 | Remote Similarity | NPC61198 |
0.5734 | Remote Similarity | NPC470140 |
0.5724 | Remote Similarity | NPC210947 |
0.5714 | Remote Similarity | NPC229974 |
0.5714 | Remote Similarity | NPC314152 |
0.5705 | Remote Similarity | NPC189068 |
0.5667 | Remote Similarity | NPC219313 |
0.5667 | Remote Similarity | NPC309832 |
0.5639 | Remote Similarity | NPC68938 |
0.5639 | Remote Similarity | NPC189314 |
0.5638 | Remote Similarity | NPC156461 |
0.5638 | Remote Similarity | NPC107374 |
0.5638 | Remote Similarity | NPC21448 |
0.562 | Remote Similarity | NPC9639 |
0.5616 | Remote Similarity | NPC470139 |
0.56 | Remote Similarity | NPC164665 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC47936 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 |
---|---|---|---|
0.9352 | High Similarity | NPD578 | Discontinued |
0.9065 | High Similarity | NPD9359 | Approved |
0.9065 | High Similarity | NPD9358 | Approved |
0.8899 | High Similarity | NPD9086 | Approved |
0.8584 | High Similarity | NPD580 | Discontinued |
0.8534 | High Similarity | NPD9544 | Approved |
0.8534 | High Similarity | NPD78 | Approved |
0.8462 | Intermediate Similarity | NPD281 | Approved |
0.8435 | Intermediate Similarity | NPD2221 | Clinical (unspecified phase) |
0.8421 | Intermediate Similarity | NPD9292 | Approved |
0.8421 | Intermediate Similarity | NPD9288 | Approved |
0.8421 | Intermediate Similarity | NPD76 | Approved |
0.8421 | Intermediate Similarity | NPD9289 | Approved |
0.8348 | Intermediate Similarity | NPD9290 | Approved |
0.8319 | Intermediate Similarity | NPD1128 | Approved |
0.8319 | Intermediate Similarity | NPD1127 | Approved |
0.8198 | Intermediate Similarity | NPD8955 | Approved |
0.8198 | Intermediate Similarity | NPD8954 | Approved |
0.8115 | Intermediate Similarity | NPD282 | Approved |
0.8083 | Intermediate Similarity | NPD1085 | Approved |
0.8083 | Intermediate Similarity | NPD1775 | Approved |
0.8067 | Intermediate Similarity | NPD579 | Clinical (unspecified phase) |
0.792 | Intermediate Similarity | NPD1119 | Phase 2 |
0.7899 | Intermediate Similarity | NPD4262 | Discontinued |
0.7679 | Intermediate Similarity | NPD9291 | Approved |
0.7578 | Intermediate Similarity | NPD535 | Approved |
0.7557 | Intermediate Similarity | NPD2253 | Discontinued |
0.7368 | Intermediate Similarity | NPD1117 | Clinical (unspecified phase) |
0.7279 | Intermediate Similarity | NPD7531 | Clinical (unspecified phase) |
0.6963 | Remote Similarity | NPD1118 | Discontinued |
0.6855 | Remote Similarity | NPD9360 | Approved |
0.6721 | Remote Similarity | NPD9373 | Approved |
0.6619 | Remote Similarity | NPD2179 | Discontinued |
0.6613 | Remote Similarity | NPD9374 | Approved |
0.661 | Remote Similarity | NPD8837 | Clinical (unspecified phase) |
0.6555 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.6504 | Remote Similarity | NPD9375 | Discontinued |
0.6457 | Remote Similarity | NPD9606 | Approved |
0.6412 | Remote Similarity | NPD9084 | Phase 2 |
0.6406 | Remote Similarity | NPD307 | Approved |
0.6406 | Remote Similarity | NPD9607 | Approved |
0.6389 | Remote Similarity | NPD4183 | Phase 3 |
0.6389 | Remote Similarity | NPD4182 | Phase 3 |
0.6357 | Remote Similarity | NPD9409 | Discontinued |
0.6348 | Remote Similarity | NPD8838 | Approved |
0.6328 | Remote Similarity | NPD237 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD1121 | Approved |
0.6304 | Remote Similarity | NPD1120 | Approved |
0.625 | Remote Similarity | NPD1730 | Discontinued |
0.6241 | Remote Similarity | NPD9408 | Phase 3 |
0.6222 | Remote Similarity | NPD9633 | Phase 3 |
0.622 | Remote Similarity | NPD757 | Phase 3 |
0.6216 | Remote Similarity | NPD9605 | Phase 3 |
0.6214 | Remote Similarity | NPD1808 | Phase 1 |
0.6184 | Remote Similarity | NPD5321 | Phase 3 |
0.6148 | Remote Similarity | NPD8836 | Approved |
0.6148 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.6084 | Remote Similarity | NPD1431 | Approved |
0.6084 | Remote Similarity | NPD1430 | Approved |
0.6074 | Remote Similarity | NPD515 | Phase 1 |
0.6058 | Remote Similarity | NPD248 | Discontinued |
0.6048 | Remote Similarity | NPD1816 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD1368 | Approved |
0.5988 | Remote Similarity | NPD3041 | Approved |
0.5973 | Remote Similarity | NPD3708 | Phase 2 |
0.589 | Remote Similarity | NPD4240 | Approved |
0.589 | Remote Similarity | NPD4155 | Approved |
0.5882 | Remote Similarity | NPD9189 | Discontinued |
0.5882 | Remote Similarity | NPD4812 | Phase 1 |
0.5857 | Remote Similarity | NPD547 | Clinical (unspecified phase) |
0.5857 | Remote Similarity | NPD545 | Clinical (unspecified phase) |
0.5846 | Remote Similarity | NPD9584 | Phase 2 |
0.5827 | Remote Similarity | NPD8829 | Clinical (unspecified phase) |
0.5793 | Remote Similarity | NPD3695 | Approved |
0.5793 | Remote Similarity | NPD3696 | Approved |
0.5793 | Remote Similarity | NPD193 | Suspended |
0.5775 | Remote Similarity | NPD194 | Clinical (unspecified phase) |
0.5742 | Remote Similarity | NPD2604 | Approved |
0.5734 | Remote Similarity | NPD252 | Clinical (unspecified phase) |
0.5724 | Remote Similarity | NPD7842 | Phase 2 |
0.5714 | Remote Similarity | NPD185 | Approved |
0.5704 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.5704 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.5685 | Remote Similarity | NPD549 | Approved |
0.5639 | Remote Similarity | NPD8831 | Approved |
0.5639 | Remote Similarity | NPD8833 | Approved |
0.5638 | Remote Similarity | NPD249 | Approved |
0.5638 | Remote Similarity | NPD7158 | Phase 1 |
0.5638 | Remote Similarity | NPD250 | Approved |
0.5638 | Remote Similarity | NPD166 | Approved |
0.562 | Remote Similarity | NPD798 | Discontinued |
0.5612 | Remote Similarity | NPD9696 | Approved |
0.5612 | Remote Similarity | NPD300 | Approved |
0.561 | Remote Similarity | NPD3081 | Clinical (unspecified phase) |
0.5603 | Remote Similarity | NPD9632 | Phase 3 |
PubChem CID   | 4687 |
ChEMBL   | CHEMBL1158 |
ZINC   |
Molecular Weight:   | 180.06 |
ALogP:   | 0.0198 |
MLogP:   | 1.57 |
XLogP:   | -0.503 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 70.72 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 13 |