Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1832 | Organism | Human rhinovirus 14 | Human rhinovirus 14 | Ki | = | 360000 | nM | 10999479 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | EC50 | = | 107.5 | nM | 10762043 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 20 | % | 10762043 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 50 | % | 10762043 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 80 | % | 10762043 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 90 | % | 10762043 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 100 | % | 10762043 |
NPT979 | Individual Protein | Caspase-3 | Homo sapiens | Activity | = | 1.67 | /M/s | 17895252 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Activity | = | 1.7 | /M/s | 17895252 |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | 8912.5 | nM | PubChem BioAssay data set | |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | 19011.5 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 1122 | nM | PubChem BioAssay data set | |
NPT63 | Individual Protein | Bromodomain adjacent to zinc finger domain protein 2B | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 1032.3 | nM | PubChem BioAssay data set | ||
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 5173.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 1778.3 | nM | PubChem BioAssay data set | ||
NPT831 | Individual Protein | Serine/threonine-protein kinase PLK1 | Homo sapiens | Potency | 21192.3 | 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 NPC319046 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 |
---|---|---|
0.9206 | High Similarity | NPC174304 |
0.9206 | High Similarity | NPC325597 |
0.9048 | High Similarity | NPC289691 |
0.8939 | High Similarity | NPC126779 |
0.871 | High Similarity | NPC321536 |
0.8281 | Intermediate Similarity | NPC143722 |
0.8226 | Intermediate Similarity | NPC325985 |
0.7937 | Intermediate Similarity | NPC38463 |
0.7778 | Intermediate Similarity | NPC322573 |
0.7742 | Intermediate Similarity | NPC197087 |
0.7742 | Intermediate Similarity | NPC190184 |
0.7576 | Intermediate Similarity | NPC320598 |
0.7534 | Intermediate Similarity | NPC315897 |
0.7463 | Intermediate Similarity | NPC321419 |
0.7313 | Intermediate Similarity | NPC316826 |
0.7313 | Intermediate Similarity | NPC317143 |
0.7313 | Intermediate Similarity | NPC254541 |
0.7313 | Intermediate Similarity | NPC321468 |
0.7313 | Intermediate Similarity | NPC327748 |
0.7206 | Intermediate Similarity | NPC329564 |
0.7206 | Intermediate Similarity | NPC327170 |
0.7164 | Intermediate Similarity | NPC176164 |
0.7164 | Intermediate Similarity | NPC189301 |
0.7143 | Intermediate Similarity | NPC125736 |
0.7143 | Intermediate Similarity | NPC319175 |
0.7015 | Intermediate Similarity | NPC318260 |
0.7015 | Intermediate Similarity | NPC317147 |
0.7 | Intermediate Similarity | NPC327252 |
0.6923 | Remote Similarity | NPC263065 |
0.6923 | Remote Similarity | NPC189178 |
0.6875 | Remote Similarity | NPC273330 |
0.6875 | Remote Similarity | NPC137958 |
0.6849 | Remote Similarity | NPC118524 |
0.6818 | Remote Similarity | NPC321118 |
0.6818 | Remote Similarity | NPC316889 |
0.6769 | Remote Similarity | NPC29950 |
0.6769 | Remote Similarity | NPC19576 |
0.6716 | Remote Similarity | NPC327831 |
0.6615 | Remote Similarity | NPC327239 |
0.6508 | Remote Similarity | NPC297220 |
0.6508 | Remote Similarity | NPC136476 |
0.6508 | Remote Similarity | NPC49952 |
0.6508 | Remote Similarity | NPC213876 |
0.6508 | Remote Similarity | NPC185755 |
0.6494 | Remote Similarity | NPC328457 |
0.6471 | Remote Similarity | NPC2801 |
0.6349 | Remote Similarity | NPC327698 |
0.6349 | Remote Similarity | NPC118459 |
0.6308 | Remote Similarity | NPC140872 |
0.6308 | Remote Similarity | NPC93081 |
0.6308 | Remote Similarity | NPC153370 |
0.6286 | Remote Similarity | NPC278209 |
0.6269 | Remote Similarity | NPC322946 |
0.6267 | Remote Similarity | NPC325534 |
0.625 | Remote Similarity | NPC248970 |
0.625 | Remote Similarity | NPC306238 |
0.6234 | Remote Similarity | NPC472579 |
0.6216 | Remote Similarity | NPC315744 |
0.6212 | Remote Similarity | NPC170739 |
0.6212 | Remote Similarity | NPC112890 |
0.6212 | Remote Similarity | NPC152451 |
0.6212 | Remote Similarity | NPC316231 |
0.6212 | Remote Similarity | NPC328378 |
0.6212 | Remote Similarity | NPC193989 |
0.6212 | Remote Similarity | NPC324825 |
0.6176 | Remote Similarity | NPC329495 |
0.6119 | Remote Similarity | NPC114990 |
0.6094 | Remote Similarity | NPC329263 |
0.6053 | Remote Similarity | NPC470108 |
0.6027 | Remote Similarity | NPC68974 |
0.6 | Remote Similarity | NPC55274 |
0.6 | Remote Similarity | NPC102815 |
0.6 | Remote Similarity | NPC193386 |
0.5974 | Remote Similarity | NPC470109 |
0.597 | Remote Similarity | NPC62045 |
0.597 | Remote Similarity | NPC162620 |
0.597 | Remote Similarity | NPC43204 |
0.597 | Remote Similarity | NPC226027 |
0.597 | Remote Similarity | NPC174246 |
0.597 | Remote Similarity | NPC245027 |
0.597 | Remote Similarity | NPC84636 |
0.5942 | Remote Similarity | NPC317815 |
0.593 | Remote Similarity | NPC53858 |
0.593 | Remote Similarity | NPC84128 |
0.5926 | Remote Similarity | NPC476248 |
0.5921 | Remote Similarity | NPC278881 |
0.5918 | Remote Similarity | NPC72401 |
0.5918 | Remote Similarity | NPC325339 |
0.5909 | Remote Similarity | NPC204364 |
0.5904 | Remote Similarity | NPC59867 |
0.5897 | Remote Similarity | NPC470110 |
0.5873 | Remote Similarity | NPC254482 |
0.5873 | Remote Similarity | NPC110533 |
0.5873 | Remote Similarity | NPC326808 |
0.5873 | Remote Similarity | NPC317691 |
0.5857 | Remote Similarity | NPC183845 |
0.5857 | Remote Similarity | NPC279661 |
0.5844 | Remote Similarity | NPC327985 |
0.5833 | Remote Similarity | NPC37681 |
0.5823 | Remote Similarity | NPC133183 |
0.5814 | Remote Similarity | NPC314466 |
0.5814 | Remote Similarity | NPC475542 |
0.5811 | Remote Similarity | NPC177191 |
0.5789 | Remote Similarity | NPC103130 |
0.5789 | Remote Similarity | NPC226453 |
0.5789 | Remote Similarity | NPC88898 |
0.5789 | Remote Similarity | NPC117829 |
0.5789 | Remote Similarity | NPC106216 |
0.5773 | Remote Similarity | NPC132931 |
0.5758 | Remote Similarity | NPC228932 |
0.5758 | Remote Similarity | NPC198196 |
0.575 | Remote Similarity | NPC478256 |
0.5733 | Remote Similarity | NPC118429 |
0.5714 | Remote Similarity | NPC168375 |
0.5714 | Remote Similarity | NPC262615 |
0.5714 | Remote Similarity | NPC50047 |
0.5714 | Remote Similarity | NPC326992 |
0.5714 | Remote Similarity | NPC121517 |
0.5672 | Remote Similarity | NPC118187 |
0.5672 | Remote Similarity | NPC136159 |
0.5647 | Remote Similarity | NPC191774 |
0.5647 | Remote Similarity | NPC314680 |
0.5634 | Remote Similarity | NPC322091 |
0.5634 | Remote Similarity | NPC60672 |
0.5618 | Remote Similarity | NPC95478 |
0.5618 | Remote Similarity | NPC155670 |
0.5618 | Remote Similarity | NPC145748 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC319046 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 | NPD337 | Discontinued |
0.9206 | High Similarity | NPD348 | Approved |
0.9077 | High Similarity | NPD4241 | Registered |
0.8939 | High Similarity | NPD4242 | Approved |
0.8923 | High Similarity | NPD886 | Clinical (unspecified phase) |
0.8406 | Intermediate Similarity | NPD2262 | Clinical (unspecified phase) |
0.8254 | Intermediate Similarity | NPD9433 | Approved |
0.7826 | Intermediate Similarity | NPD1429 | Clinical (unspecified phase) |
0.7742 | Intermediate Similarity | NPD8785 | Approved |
0.7534 | Intermediate Similarity | NPD1825 | Clinical (unspecified phase) |
0.7468 | Intermediate Similarity | NPD7643 | Phase 1 |
0.7297 | Intermediate Similarity | NPD6944 | Clinical (unspecified phase) |
0.7101 | Intermediate Similarity | NPD574 | Approved |
0.7 | Intermediate Similarity | NPD575 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD9205 | Approved |
0.6923 | Remote Similarity | NPD9204 | Approved |
0.6875 | Remote Similarity | NPD329 | Discontinued |
0.6875 | Remote Similarity | NPD8872 | Phase 3 |
0.6875 | Remote Similarity | NPD8871 | Approved |
0.6769 | Remote Similarity | NPD61 | Approved |
0.6769 | Remote Similarity | NPD8847 | Approved |
0.6769 | Remote Similarity | NPD8846 | Approved |
0.6667 | Remote Similarity | NPD8851 | Phase 1 |
0.6623 | Remote Similarity | NPD1147 | Phase 2 |
0.6548 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.6538 | Remote Similarity | NPD366 | Approved |
0.6508 | Remote Similarity | NPD8982 | Approved |
0.6316 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD8809 | Approved |
0.6308 | Remote Similarity | NPD8614 | Approved |
0.6308 | Remote Similarity | NPD8808 | Approved |
0.6269 | Remote Similarity | NPD9441 | Phase 2 |
0.6267 | Remote Similarity | NPD8952 | Approved |
0.625 | Remote Similarity | NPD8870 | Approved |
0.6216 | Remote Similarity | NPD364 | Discontinued |
0.6212 | Remote Similarity | NPD9021 | Approved |
0.6212 | Remote Similarity | NPD8802 | Approved |
0.6212 | Remote Similarity | NPD9044 | Approved |
0.6212 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.617 | Remote Similarity | NPD842 | Phase 3 |
0.6104 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.6094 | Remote Similarity | NPD397 | Phase 2 |
0.6061 | Remote Similarity | NPD8873 | Approved |
0.6061 | Remote Similarity | NPD9214 | Phase 3 |
0.6061 | Remote Similarity | NPD9213 | Approved |
0.6026 | Remote Similarity | NPD1815 | Discontinued |
0.5978 | Remote Similarity | NPD1749 | Approved |
0.5977 | Remote Similarity | NPD9577 | Approved |
0.597 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD9017 | Approved |
0.597 | Remote Similarity | NPD9018 | Approved |
0.5942 | Remote Similarity | NPD9386 | Approved |
0.5942 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.5942 | Remote Similarity | NPD9420 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD8869 | Approved |
0.593 | Remote Similarity | NPD1125 | Discovery |
0.5873 | Remote Similarity | NPD8215 | Approved |
0.5873 | Remote Similarity | NPD8214 | Approved |
0.5843 | Remote Similarity | NPD7759 | Phase 2 |
0.5843 | Remote Similarity | NPD7760 | Phase 2 |
0.5833 | Remote Similarity | NPD3160 | Suspended |
0.5789 | Remote Similarity | NPD9047 | Approved |
0.5789 | Remote Similarity | NPD9048 | Approved |
0.5789 | Remote Similarity | NPD9046 | Phase 3 |
0.5789 | Remote Similarity | NPD9045 | Approved |
0.5769 | Remote Similarity | NPD2263 | Discontinued |
0.5769 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD9232 | Phase 2 |
0.5769 | Remote Similarity | NPD9231 | Phase 3 |
0.5769 | Remote Similarity | NPD9421 | Phase 1 |
0.5769 | Remote Similarity | NPD9233 | Phase 3 |
0.5758 | Remote Similarity | NPD8801 | Approved |
0.5758 | Remote Similarity | NPD9020 | Approved |
0.5733 | Remote Similarity | NPD9014 | Approved |
0.5714 | Remote Similarity | NPD6438 | Approved |
0.5714 | Remote Similarity | NPD6437 | Approved |
0.5682 | Remote Similarity | NPD4829 | Discontinued |
0.5652 | Remote Similarity | NPD9025 | Approved |
0.5647 | Remote Similarity | NPD4278 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD3724 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD9658 | Clinical (unspecified phase) |
PubChem CID   | 104858 |
ChEMBL   | CHEMBL63507 |
ZINC   |
Molecular Weight:   | 336.07 |
ALogP:   | -1.1622 |
MLogP:   | 1.24 |
XLogP:   | -4.114 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 220.53 |
# H-Bond Aceptor:   | 9 |
# H-Bond Donor:   | 5 |
# Rings:   | 0 |
# Heavy Atoms:   | 22 |