Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Ki | = | 36000 | nM | 8230124 |
NPT2554 | Protein Family | Adenosine A2 receptor | Rattus norvegicus | Ki | = | 47000 | nM | 8230124 |
NPT217 | Individual Protein | Adenosine A2a receptor | Homo sapiens | EC50 | = | 75900 | nM | 1331453 |
NPT2811 | Individual Protein | Adenosine A1 receptor | Cavia porcellus | EC15 | > | 0.1 | nM | 1331453 |
NPT2560 | Protein Family | Phosphodiesterase 4 | Homo sapiens | Ki | = | 163000 | nM | 1331453 |
NPT2811 | Individual Protein | Adenosine A1 receptor | Cavia porcellus | Ki | = | 11500 | nM | 1331453 |
NPT4262 | Individual Protein | Adenosine A2a receptor | Cavia porcellus | Ki | = | 67100 | nM | 1331453 |
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Ki | = | 17000 | nM | 2724296 |
NPT2812 | Protein Family | Adenosine A2 receptor | Homo sapiens | Ki | = | 1900 | nM | 2724296 |
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Ki | = | 36000 | nM | 8182711 |
NPT2554 | Protein Family | Adenosine A2 receptor | Rattus norvegicus | Ki | = | 47000 | nM | 8182711 |
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Ki | = | 9000 | nM | 3172141 |
NPT2554 | Protein Family | Adenosine A2 receptor | Rattus norvegicus | Ki | = | 6600 | nM | 3172141 |
NPT967 | Individual Protein | Xanthine dehydrogenase | Homo sapiens | IC50 | > | 200000 | nM | 17379526 |
NPT56 | Individual Protein | Beta-lactamase AmpC | Escherichia coli K-12 | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | 14581 | nM | PubChem BioAssay data set | ||
NPT665 | Individual Protein | Solute carrier family 22 member 6 | Homo sapiens | Activity | = | 50 | % | 15207706 |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 3264.3 | nM | PubChem BioAssay data set | |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 96.5 | % | 23571415 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 102.07 | % | 23571415 |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 8912.5 | 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 NPC278549 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 |
---|---|---|
0.9358 | High Similarity | NPC199790 |
0.9273 | High Similarity | NPC148385 |
0.9115 | High Similarity | NPC252603 |
0.9083 | High Similarity | NPC47936 |
0.8727 | High Similarity | NPC75131 |
0.8696 | High Similarity | NPC158847 |
0.8261 | Intermediate Similarity | NPC256849 |
0.8103 | Intermediate Similarity | NPC303899 |
0.7965 | Intermediate Similarity | NPC476099 |
0.7886 | Intermediate Similarity | NPC109322 |
0.7823 | Intermediate Similarity | NPC180493 |
0.7797 | Intermediate Similarity | NPC41958 |
0.7652 | Intermediate Similarity | NPC476562 |
0.7478 | Intermediate Similarity | NPC476561 |
0.7414 | Intermediate Similarity | NPC59314 |
0.7168 | Intermediate Similarity | NPC51000 |
0.7155 | Intermediate Similarity | NPC293163 |
0.7049 | Intermediate Similarity | NPC312187 |
0.7049 | Intermediate Similarity | NPC4837 |
0.7 | Intermediate Similarity | NPC119133 |
0.6992 | Remote Similarity | NPC246193 |
0.6966 | Remote Similarity | NPC321052 |
0.6917 | Remote Similarity | NPC18335 |
0.6786 | Remote Similarity | NPC167285 |
0.6786 | Remote Similarity | NPC226184 |
0.6786 | Remote Similarity | NPC76544 |
0.6695 | Remote Similarity | NPC320256 |
0.6694 | Remote Similarity | NPC10466 |
0.6639 | Remote Similarity | NPC476564 |
0.6614 | Remote Similarity | NPC313547 |
0.6529 | Remote Similarity | NPC174114 |
0.6529 | Remote Similarity | NPC87981 |
0.6519 | Remote Similarity | NPC144223 |
0.6496 | Remote Similarity | NPC287876 |
0.6423 | Remote Similarity | NPC14330 |
0.6403 | Remote Similarity | NPC57279 |
0.6387 | Remote Similarity | NPC9639 |
0.6376 | Remote Similarity | NPC326694 |
0.6364 | Remote Similarity | NPC327579 |
0.6357 | Remote Similarity | NPC327613 |
0.6336 | Remote Similarity | NPC68938 |
0.6336 | Remote Similarity | NPC189314 |
0.625 | Remote Similarity | NPC15566 |
0.619 | Remote Similarity | NPC155498 |
0.6154 | Remote Similarity | NPC320818 |
0.6143 | Remote Similarity | NPC104011 |
0.608 | Remote Similarity | NPC273327 |
0.6032 | Remote Similarity | NPC111132 |
0.6028 | Remote Similarity | NPC243319 |
0.6014 | Remote Similarity | NPC248007 |
0.589 | Remote Similarity | NPC18223 |
0.589 | Remote Similarity | NPC237812 |
0.5878 | Remote Similarity | NPC185903 |
0.5878 | Remote Similarity | NPC286696 |
0.5874 | Remote Similarity | NPC235501 |
0.587 | Remote Similarity | NPC5707 |
0.58 | Remote Similarity | NPC8590 |
0.5797 | Remote Similarity | NPC139776 |
0.5796 | Remote Similarity | NPC60537 |
0.5764 | Remote Similarity | NPC25465 |
0.5753 | Remote Similarity | NPC262926 |
0.5748 | Remote Similarity | NPC326248 |
0.5748 | Remote Similarity | NPC187191 |
0.5714 | Remote Similarity | NPC61198 |
0.5704 | Remote Similarity | NPC63433 |
0.5704 | Remote Similarity | NPC180462 |
0.5686 | Remote Similarity | NPC327477 |
0.5667 | Remote Similarity | NPC317821 |
0.5655 | Remote Similarity | NPC470138 |
0.5646 | Remote Similarity | NPC126634 |
0.5638 | Remote Similarity | NPC33996 |
0.562 | Remote Similarity | NPC240084 |
0.56 | Remote Similarity | NPC129756 |
0.56 | Remote Similarity | NPC210947 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC278549 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 |
---|---|---|---|
0.9115 | High Similarity | NPD76 | Approved |
0.9115 | High Similarity | NPD9288 | Approved |
0.9115 | High Similarity | NPD9289 | Approved |
0.9115 | High Similarity | NPD9292 | Approved |
0.8909 | High Similarity | NPD8955 | Approved |
0.8909 | High Similarity | NPD8954 | Approved |
0.8729 | High Similarity | NPD579 | Clinical (unspecified phase) |
0.8596 | High Similarity | NPD9086 | Approved |
0.8534 | High Similarity | NPD578 | Discontinued |
0.8261 | Intermediate Similarity | NPD9358 | Approved |
0.8261 | Intermediate Similarity | NPD9359 | Approved |
0.7955 | Intermediate Similarity | NPD1117 | Clinical (unspecified phase) |
0.7851 | Intermediate Similarity | NPD580 | Discontinued |
0.7823 | Intermediate Similarity | NPD9544 | Approved |
0.7823 | Intermediate Similarity | NPD78 | Approved |
0.7787 | Intermediate Similarity | NPD9290 | Approved |
0.776 | Intermediate Similarity | NPD281 | Approved |
0.7724 | Intermediate Similarity | NPD2221 | Clinical (unspecified phase) |
0.7638 | Intermediate Similarity | NPD1127 | Approved |
0.7638 | Intermediate Similarity | NPD1128 | Approved |
0.748 | Intermediate Similarity | NPD9360 | Approved |
0.7462 | Intermediate Similarity | NPD282 | Approved |
0.7422 | Intermediate Similarity | NPD1085 | Approved |
0.7422 | Intermediate Similarity | NPD1775 | Approved |
0.7414 | Intermediate Similarity | NPD8837 | Clinical (unspecified phase) |
0.7407 | Intermediate Similarity | NPD1118 | Discontinued |
0.7293 | Intermediate Similarity | NPD1119 | Phase 2 |
0.7244 | Intermediate Similarity | NPD4262 | Discontinued |
0.7214 | Intermediate Similarity | NPD7531 | Clinical (unspecified phase) |
0.7168 | Intermediate Similarity | NPD8838 | Approved |
0.705 | Intermediate Similarity | NPD2179 | Discontinued |
0.7 | Intermediate Similarity | NPD9291 | Approved |
0.6985 | Remote Similarity | NPD535 | Approved |
0.6978 | Remote Similarity | NPD2253 | Discontinued |
0.6917 | Remote Similarity | NPD8836 | Approved |
0.6806 | Remote Similarity | NPD4182 | Phase 3 |
0.6806 | Remote Similarity | NPD4183 | Phase 3 |
0.6797 | Remote Similarity | NPD237 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD9373 | Approved |
0.6587 | Remote Similarity | NPD9375 | Discontinued |
0.6579 | Remote Similarity | NPD5321 | Phase 3 |
0.6562 | Remote Similarity | NPD9374 | Approved |
0.6496 | Remote Similarity | NPD8829 | Clinical (unspecified phase) |
0.6412 | Remote Similarity | NPD9606 | Approved |
0.6383 | Remote Similarity | NPD1121 | Approved |
0.6383 | Remote Similarity | NPD1120 | Approved |
0.6364 | Remote Similarity | NPD9607 | Approved |
0.6364 | Remote Similarity | NPD307 | Approved |
0.6357 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.6336 | Remote Similarity | NPD8833 | Approved |
0.6336 | Remote Similarity | NPD8831 | Approved |
0.6316 | Remote Similarity | NPD9409 | Discontinued |
0.6294 | Remote Similarity | NPD1808 | Phase 1 |
0.6241 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD2604 | Approved |
0.6164 | Remote Similarity | NPD1431 | Approved |
0.6164 | Remote Similarity | NPD1430 | Approved |
0.616 | Remote Similarity | NPD341 | Approved |
0.616 | Remote Similarity | NPD340 | Approved |
0.6159 | Remote Similarity | NPD300 | Approved |
0.6142 | Remote Similarity | NPD1816 | Clinical (unspecified phase) |
0.6115 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.609 | Remote Similarity | NPD1368 | Approved |
0.6084 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.6053 | Remote Similarity | NPD3708 | Phase 2 |
0.6043 | Remote Similarity | NPD515 | Phase 1 |
0.604 | Remote Similarity | NPD9627 | Approved |
0.6032 | Remote Similarity | NPD8859 | Approved |
0.6032 | Remote Similarity | NPD8862 | Approved |
0.6032 | Remote Similarity | NPD8861 | Approved |
0.6028 | Remote Similarity | NPD9081 | Clinical (unspecified phase) |
0.6023 | Remote Similarity | NPD1250 | Clinical (unspecified phase) |
0.6014 | Remote Similarity | NPD9084 | Phase 2 |
0.5984 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.5976 | Remote Similarity | NPD3081 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD9605 | Phase 3 |
0.5971 | Remote Similarity | NPD4812 | Phase 1 |
0.5971 | Remote Similarity | NPD9408 | Phase 3 |
0.5964 | Remote Similarity | NPD3041 | Approved |
0.5957 | Remote Similarity | NPD9633 | Phase 3 |
0.589 | Remote Similarity | NPD9133 | Approved |
0.587 | Remote Similarity | NPD8830 | Phase 3 |
0.5843 | Remote Similarity | NPD3108 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD547 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD545 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD1731 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD9584 | Phase 2 |
0.5806 | Remote Similarity | NPD7842 | Phase 2 |
0.5804 | Remote Similarity | NPD248 | Discontinued |
0.58 | Remote Similarity | NPD1451 | Approved |
0.5796 | Remote Similarity | NPD2180 | Approved |
0.5789 | Remote Similarity | NPD1730 | Discontinued |
0.5782 | Remote Similarity | NPD9628 | Approved |
0.5762 | Remote Similarity | NPD9704 | Approved |
0.5753 | Remote Similarity | NPD194 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD252 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD798 | Discontinued |
0.5704 | Remote Similarity | NPD757 | Phase 3 |
0.5695 | Remote Similarity | NPD9183 | Clinical (unspecified phase) |
0.5679 | Remote Similarity | NPD3130 | Discontinued |
0.5667 | Remote Similarity | NPD549 | Approved |
0.5658 | Remote Similarity | NPD4240 | Approved |
0.5658 | Remote Similarity | NPD3706 | Clinical (unspecified phase) |
PubChem CID   | 80220 |
ChEMBL   | CHEMBL1250 |
ZINC   |
Molecular Weight:   | 166.05 |
ALogP:   | -0.5161 |
MLogP:   | 1.46 |
XLogP:   | -0.742 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 81.58 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 12 |