Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | = | 200 | ug/ml | 11809072 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 500 | ug/ml | 24927000 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 4.4 | ug/ml | 11495582 |
NPT2 | Others | Unspecified | ED50 | = | 7 | ug/ml | 8277308 | |
NPT453 | Cell Line | HT-1080 | Homo sapiens | ED50 | = | 8.4 | ug/ml | 16608209 |
NPT2 | Others | Unspecified | ED50 | = | 7.6 | ug/ml | 17420206 | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 4 | mm | 20547799 |
NPT762 | Cell Line | A-431 | Homo sapiens | ED50 | = | 2.6 | ug/ml | 12398543 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 100 | ug/ml | 20430633 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | = | 50 | ug/ml | 16252924 |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 0.4 | ug/ml | 19132934 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 4.5 | ug/ml | 25819096 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 300 | ug/ml | 12662097 |
NPT133 | Cell Line | ZR-75-1 | Homo sapiens | ED50 | = | 7.8 | ug/ml | 19604701 |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | = | 1.9 | ug/ml | 19604701 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IZ | = | 5 | mm | 26005918 |
NPT2 | Others | Unspecified | ED50 | = | 6.3 | ug/ml | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | ED50 | = | 4.9 | ug/ml | 9873632 |
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 NPC475762 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 |
---|---|---|
0.9545 | High Similarity | NPC475760 |
0.9296 | High Similarity | NPC474026 |
0.9041 | High Similarity | NPC473947 |
0.9041 | High Similarity | NPC180725 |
0.8939 | High Similarity | NPC25747 |
0.8939 | High Similarity | NPC148233 |
0.8919 | High Similarity | NPC133226 |
0.8919 | High Similarity | NPC470147 |
0.8904 | High Similarity | NPC248775 |
0.8784 | High Similarity | NPC470149 |
0.8784 | High Similarity | NPC470148 |
0.875 | High Similarity | NPC327041 |
0.875 | High Similarity | NPC285840 |
0.8732 | High Similarity | NPC327383 |
0.8732 | High Similarity | NPC185186 |
0.8676 | High Similarity | NPC124586 |
0.8514 | High Similarity | NPC475711 |
0.8485 | Intermediate Similarity | NPC26223 |
0.8382 | Intermediate Similarity | NPC308457 |
0.8333 | Intermediate Similarity | NPC159650 |
0.8333 | Intermediate Similarity | NPC22897 |
0.8219 | Intermediate Similarity | NPC329914 |
0.8077 | Intermediate Similarity | NPC469469 |
0.8052 | Intermediate Similarity | NPC139712 |
0.8052 | Intermediate Similarity | NPC1180 |
0.8026 | Intermediate Similarity | NPC233071 |
0.8025 | Intermediate Similarity | NPC208473 |
0.7973 | Intermediate Similarity | NPC329890 |
0.7945 | Intermediate Similarity | NPC476012 |
0.7895 | Intermediate Similarity | NPC188860 |
0.7857 | Intermediate Similarity | NPC177668 |
0.7778 | Intermediate Similarity | NPC473308 |
0.775 | Intermediate Similarity | NPC251026 |
0.7746 | Intermediate Similarity | NPC96414 |
0.7738 | Intermediate Similarity | NPC133450 |
0.7703 | Intermediate Similarity | NPC476037 |
0.7654 | Intermediate Similarity | NPC473315 |
0.7654 | Intermediate Similarity | NPC142111 |
0.7647 | Intermediate Similarity | NPC3952 |
0.7639 | Intermediate Similarity | NPC201356 |
0.7632 | Intermediate Similarity | NPC477204 |
0.7625 | Intermediate Similarity | NPC184208 |
0.7625 | Intermediate Similarity | NPC8538 |
0.7586 | Intermediate Similarity | NPC256368 |
0.7561 | Intermediate Similarity | NPC474251 |
0.7536 | Intermediate Similarity | NPC474267 |
0.75 | Intermediate Similarity | NPC19769 |
0.747 | Intermediate Similarity | NPC470124 |
0.7468 | Intermediate Similarity | NPC477314 |
0.7442 | Intermediate Similarity | NPC473311 |
0.7439 | Intermediate Similarity | NPC170286 |
0.7436 | Intermediate Similarity | NPC326661 |
0.7429 | Intermediate Similarity | NPC158368 |
0.7429 | Intermediate Similarity | NPC226872 |
0.7429 | Intermediate Similarity | NPC154908 |
0.7429 | Intermediate Similarity | NPC252851 |
0.7412 | Intermediate Similarity | NPC21208 |
0.7412 | Intermediate Similarity | NPC280621 |
0.7412 | Intermediate Similarity | NPC48338 |
0.7412 | Intermediate Similarity | NPC40376 |
0.7412 | Intermediate Similarity | NPC20339 |
0.7412 | Intermediate Similarity | NPC233551 |
0.7407 | Intermediate Similarity | NPC315731 |
0.7407 | Intermediate Similarity | NPC473339 |
0.7407 | Intermediate Similarity | NPC471552 |
0.7397 | Intermediate Similarity | NPC284447 |
0.7397 | Intermediate Similarity | NPC248125 |
0.7397 | Intermediate Similarity | NPC276299 |
0.7391 | Intermediate Similarity | NPC23418 |
0.7381 | Intermediate Similarity | NPC47937 |
0.7381 | Intermediate Similarity | NPC477428 |
0.7381 | Intermediate Similarity | NPC204048 |
0.7361 | Intermediate Similarity | NPC477456 |
0.7361 | Intermediate Similarity | NPC477457 |
0.7349 | Intermediate Similarity | NPC186155 |
0.7349 | Intermediate Similarity | NPC78673 |
0.7349 | Intermediate Similarity | NPC160517 |
0.7342 | Intermediate Similarity | NPC477203 |
0.7333 | Intermediate Similarity | NPC475332 |
0.7333 | Intermediate Similarity | NPC151481 |
0.7324 | Intermediate Similarity | NPC26810 |
0.7317 | Intermediate Similarity | NPC123908 |
0.7317 | Intermediate Similarity | NPC10080 |
0.7294 | Intermediate Similarity | NPC178215 |
0.7284 | Intermediate Similarity | NPC474739 |
0.7273 | Intermediate Similarity | NPC472195 |
0.7273 | Intermediate Similarity | NPC238090 |
0.7273 | Intermediate Similarity | NPC472196 |
0.7262 | Intermediate Similarity | NPC329615 |
0.7262 | Intermediate Similarity | NPC471494 |
0.7262 | Intermediate Similarity | NPC322529 |
0.7262 | Intermediate Similarity | NPC477013 |
0.7262 | Intermediate Similarity | NPC329838 |
0.7262 | Intermediate Similarity | NPC120398 |
0.7262 | Intermediate Similarity | NPC182383 |
0.7262 | Intermediate Similarity | NPC477014 |
0.7262 | Intermediate Similarity | NPC471567 |
0.7241 | Intermediate Similarity | NPC239517 |
0.7241 | Intermediate Similarity | NPC471569 |
0.7237 | Intermediate Similarity | NPC469660 |
0.7229 | Intermediate Similarity | NPC44261 |
0.7222 | Intermediate Similarity | NPC173329 |
0.7222 | Intermediate Similarity | NPC288350 |
0.7215 | Intermediate Similarity | NPC477202 |
0.7215 | Intermediate Similarity | NPC469880 |
0.7209 | Intermediate Similarity | NPC320458 |
0.7209 | Intermediate Similarity | NPC470137 |
0.7209 | Intermediate Similarity | NPC89001 |
0.7209 | Intermediate Similarity | NPC473905 |
0.72 | Intermediate Similarity | NPC218477 |
0.7195 | Intermediate Similarity | NPC297440 |
0.7191 | Intermediate Similarity | NPC159698 |
0.7176 | Intermediate Similarity | NPC231096 |
0.7176 | Intermediate Similarity | NPC107717 |
0.7176 | Intermediate Similarity | NPC61527 |
0.7176 | Intermediate Similarity | NPC232555 |
0.7176 | Intermediate Similarity | NPC475581 |
0.7176 | Intermediate Similarity | NPC171174 |
0.7176 | Intermediate Similarity | NPC477015 |
0.7176 | Intermediate Similarity | NPC142117 |
0.7176 | Intermediate Similarity | NPC134865 |
0.7176 | Intermediate Similarity | NPC279267 |
0.7176 | Intermediate Similarity | NPC62118 |
0.7176 | Intermediate Similarity | NPC69082 |
0.7176 | Intermediate Similarity | NPC311163 |
0.7176 | Intermediate Similarity | NPC103523 |
0.7176 | Intermediate Similarity | NPC114694 |
0.7176 | Intermediate Similarity | NPC240695 |
0.7162 | Intermediate Similarity | NPC146811 |
0.716 | Intermediate Similarity | NPC226226 |
0.716 | Intermediate Similarity | NPC55304 |
0.7159 | Intermediate Similarity | NPC471324 |
0.7159 | Intermediate Similarity | NPC114172 |
0.7159 | Intermediate Similarity | NPC469410 |
0.7159 | Intermediate Similarity | NPC206679 |
0.7159 | Intermediate Similarity | NPC476084 |
0.7159 | Intermediate Similarity | NPC476075 |
0.7143 | Intermediate Similarity | NPC475035 |
0.7143 | Intermediate Similarity | NPC156804 |
0.7143 | Intermediate Similarity | NPC477084 |
0.7143 | Intermediate Similarity | NPC163093 |
0.7143 | Intermediate Similarity | NPC266718 |
0.7126 | Intermediate Similarity | NPC20621 |
0.7126 | Intermediate Similarity | NPC40066 |
0.7126 | Intermediate Similarity | NPC477016 |
0.7126 | Intermediate Similarity | NPC42598 |
0.7126 | Intermediate Similarity | NPC93794 |
0.7126 | Intermediate Similarity | NPC477011 |
0.7126 | Intermediate Similarity | NPC91067 |
0.7126 | Intermediate Similarity | NPC473504 |
0.7126 | Intermediate Similarity | NPC318963 |
0.7126 | Intermediate Similarity | NPC81778 |
0.7126 | Intermediate Similarity | NPC477017 |
0.7108 | Intermediate Similarity | NPC475690 |
0.7093 | Intermediate Similarity | NPC199382 |
0.7093 | Intermediate Similarity | NPC475037 |
0.7093 | Intermediate Similarity | NPC258068 |
0.7093 | Intermediate Similarity | NPC476583 |
0.7093 | Intermediate Similarity | NPC20533 |
0.7079 | Intermediate Similarity | NPC109406 |
0.7079 | Intermediate Similarity | NPC159092 |
0.7059 | Intermediate Similarity | NPC223871 |
0.7059 | Intermediate Similarity | NPC286338 |
0.7059 | Intermediate Similarity | NPC132496 |
0.7059 | Intermediate Similarity | NPC107986 |
0.7059 | Intermediate Similarity | NPC82795 |
0.7059 | Intermediate Similarity | NPC103284 |
0.7059 | Intermediate Similarity | NPC475034 |
0.7059 | Intermediate Similarity | NPC66346 |
0.7059 | Intermediate Similarity | NPC283085 |
0.7059 | Intermediate Similarity | NPC473669 |
0.7059 | Intermediate Similarity | NPC473478 |
0.7059 | Intermediate Similarity | NPC110710 |
0.7059 | Intermediate Similarity | NPC1083 |
0.7059 | Intermediate Similarity | NPC473651 |
0.7059 | Intermediate Similarity | NPC231009 |
0.7051 | Intermediate Similarity | NPC477085 |
0.7051 | Intermediate Similarity | NPC477311 |
0.7051 | Intermediate Similarity | NPC474705 |
0.7051 | Intermediate Similarity | NPC284006 |
0.7051 | Intermediate Similarity | NPC477303 |
0.7045 | Intermediate Similarity | NPC473904 |
0.7045 | Intermediate Similarity | NPC475748 |
0.7037 | Intermediate Similarity | NPC182292 |
0.7033 | Intermediate Similarity | NPC255410 |
0.7033 | Intermediate Similarity | NPC472995 |
0.7027 | Intermediate Similarity | NPC182794 |
0.7024 | Intermediate Similarity | NPC315559 |
0.7024 | Intermediate Similarity | NPC116543 |
0.7024 | Intermediate Similarity | NPC253801 |
0.7011 | Intermediate Similarity | NPC274446 |
0.7011 | Intermediate Similarity | NPC172821 |
0.7011 | Intermediate Similarity | NPC81045 |
0.7011 | Intermediate Similarity | NPC151403 |
0.7011 | Intermediate Similarity | NPC287164 |
0.7011 | Intermediate Similarity | NPC169511 |
0.7011 | Intermediate Similarity | NPC100454 |
0.7011 | Intermediate Similarity | NPC171135 |
0.7011 | Intermediate Similarity | NPC261952 |
0.7011 | Intermediate Similarity | NPC242364 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC475762 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 |
---|---|---|---|
0.7442 | Intermediate Similarity | NPD7838 | Discovery |
0.7241 | Intermediate Similarity | NPD46 | Approved |
0.7241 | Intermediate Similarity | NPD6698 | Approved |
0.6882 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6809 | Remote Similarity | NPD6648 | Approved |
0.68 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6737 | Remote Similarity | NPD5344 | Discontinued |
0.6477 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6413 | Remote Similarity | NPD7983 | Approved |
0.6238 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD4249 | Approved |
0.618 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD6686 | Approved |
0.6154 | Remote Similarity | NPD4251 | Approved |
0.6154 | Remote Similarity | NPD4250 | Approved |
0.6136 | Remote Similarity | NPD5209 | Approved |
0.6092 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6022 | Remote Similarity | NPD1695 | Approved |
0.602 | Remote Similarity | NPD4225 | Approved |
0.6 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.593 | Remote Similarity | NPD4756 | Discovery |
0.5915 | Remote Similarity | NPD6927 | Phase 3 |
0.5905 | Remote Similarity | NPD6371 | Approved |
0.5882 | Remote Similarity | NPD8039 | Approved |
0.5862 | Remote Similarity | NPD4268 | Approved |
0.5862 | Remote Similarity | NPD4271 | Approved |
0.5844 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5823 | Remote Similarity | NPD3197 | Phase 1 |
0.5823 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5804 | Remote Similarity | NPD7503 | Approved |
0.5789 | Remote Similarity | NPD5785 | Approved |
0.5789 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD6109 | Phase 1 |
0.5789 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD69 | Approved |
0.5789 | Remote Similarity | NPD9119 | Approved |
0.5761 | Remote Similarity | NPD1694 | Approved |
0.573 | Remote Similarity | NPD4820 | Approved |
0.573 | Remote Similarity | NPD4819 | Approved |
0.573 | Remote Similarity | NPD4822 | Approved |
0.573 | Remote Similarity | NPD4821 | Approved |
0.5714 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD7154 | Phase 3 |
0.5714 | Remote Similarity | NPD5343 | Approved |
0.5702 | Remote Similarity | NPD7829 | Approved |
0.5702 | Remote Similarity | NPD7830 | Approved |
0.57 | Remote Similarity | NPD7638 | Approved |
0.5694 | Remote Similarity | NPD1400 | Approved |
0.5694 | Remote Similarity | NPD28 | Approved |
0.5694 | Remote Similarity | NPD1399 | Approved |
0.5694 | Remote Similarity | NPD29 | Approved |
0.5679 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.567 | Remote Similarity | NPD5779 | Approved |
0.567 | Remote Similarity | NPD5778 | Approved |
0.5658 | Remote Similarity | NPD9118 | Approved |
0.5657 | Remote Similarity | NPD7839 | Suspended |
0.5657 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5648 | Remote Similarity | NPD6053 | Discontinued |
0.5644 | Remote Similarity | NPD7639 | Approved |
0.5644 | Remote Similarity | NPD7640 | Approved |
0.5619 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
PubChem CID   | 10387847 |
ChEMBL   | CHEMBL514889 |
ZINC   |
Molecular Weight:   | 428.17 |
ALogP:   | -1.1195 |
MLogP:   | 2.56 |
XLogP:   | 2.602 |
# Rotatable Bonds:   | 19 |
Polar Surface Area:   | 131.5 |
# H-Bond Aceptor:   | 10 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 30 |