Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | = | 5754.4 | nM | 21894898 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | IC50 | = | 4290 | nM | 23013356 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | Ki | = | 1600 | nM | 23013356 |
NPT2668 | Individual Protein | Acetylcholinesterase | Torpedo californica | IC50 | = | 5800 | nM | 23013356 |
NPT2668 | Individual Protein | Acetylcholinesterase | Torpedo californica | Ki | = | 2650 | nM | 23013356 |
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 NPC226509 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 |
---|---|---|
0.9789 | High Similarity | NPC152718 |
0.9388 | High Similarity | NPC469958 |
0.8911 | High Similarity | NPC230677 |
0.8654 | High Similarity | NPC175585 |
0.8316 | Intermediate Similarity | NPC166458 |
0.8218 | Intermediate Similarity | NPC184033 |
0.8137 | Intermediate Similarity | NPC140685 |
0.7941 | Intermediate Similarity | NPC247220 |
0.7835 | Intermediate Similarity | NPC182106 |
0.7835 | Intermediate Similarity | NPC311769 |
0.77 | Intermediate Similarity | NPC249312 |
0.7653 | Intermediate Similarity | NPC152684 |
0.76 | Intermediate Similarity | NPC259252 |
0.757 | Intermediate Similarity | NPC471083 |
0.757 | Intermediate Similarity | NPC247060 |
0.7526 | Intermediate Similarity | NPC472867 |
0.7407 | Intermediate Similarity | NPC50815 |
0.7347 | Intermediate Similarity | NPC472239 |
0.7339 | Intermediate Similarity | NPC474563 |
0.7315 | Intermediate Similarity | NPC474001 |
0.7273 | Intermediate Similarity | NPC21667 |
0.7245 | Intermediate Similarity | NPC257962 |
0.7238 | Intermediate Similarity | NPC476754 |
0.7207 | Intermediate Similarity | NPC55462 |
0.7182 | Intermediate Similarity | NPC90538 |
0.7172 | Intermediate Similarity | NPC142253 |
0.7172 | Intermediate Similarity | NPC3511 |
0.7143 | Intermediate Similarity | NPC476753 |
0.7143 | Intermediate Similarity | NPC476752 |
0.7105 | Intermediate Similarity | NPC328052 |
0.7105 | Intermediate Similarity | NPC472359 |
0.7091 | Intermediate Similarity | NPC58200 |
0.708 | Intermediate Similarity | NPC307903 |
0.708 | Intermediate Similarity | NPC140251 |
0.7059 | Intermediate Similarity | NPC157479 |
0.703 | Intermediate Similarity | NPC16287 |
0.703 | Intermediate Similarity | NPC178025 |
0.703 | Intermediate Similarity | NPC87552 |
0.703 | Intermediate Similarity | NPC181743 |
0.7023 | Intermediate Similarity | NPC153007 |
0.7 | Intermediate Similarity | NPC34193 |
0.7 | Intermediate Similarity | NPC215474 |
0.6983 | Remote Similarity | NPC469968 |
0.6983 | Remote Similarity | NPC80834 |
0.6964 | Remote Similarity | NPC119329 |
0.6961 | Remote Similarity | NPC60350 |
0.6961 | Remote Similarity | NPC8571 |
0.6947 | Remote Similarity | NPC303613 |
0.6947 | Remote Similarity | NPC474228 |
0.6931 | Remote Similarity | NPC41539 |
0.6847 | Remote Similarity | NPC77703 |
0.6842 | Remote Similarity | NPC21773 |
0.6842 | Remote Similarity | NPC265789 |
0.6837 | Remote Similarity | NPC91665 |
0.6833 | Remote Similarity | NPC474006 |
0.6832 | Remote Similarity | NPC224072 |
0.6827 | Remote Similarity | NPC476293 |
0.6803 | Remote Similarity | NPC242692 |
0.6796 | Remote Similarity | NPC472931 |
0.6796 | Remote Similarity | NPC472940 |
0.6796 | Remote Similarity | NPC147513 |
0.6786 | Remote Similarity | NPC469598 |
0.6783 | Remote Similarity | NPC24596 |
0.6771 | Remote Similarity | NPC251705 |
0.6765 | Remote Similarity | NPC279639 |
0.6765 | Remote Similarity | NPC3856 |
0.6757 | Remote Similarity | NPC275686 |
0.6754 | Remote Similarity | NPC476328 |
0.6754 | Remote Similarity | NPC185929 |
0.6748 | Remote Similarity | NPC472458 |
0.6737 | Remote Similarity | NPC159577 |
0.6737 | Remote Similarity | NPC307176 |
0.6737 | Remote Similarity | NPC265782 |
0.6737 | Remote Similarity | NPC282593 |
0.6737 | Remote Similarity | NPC251929 |
0.6737 | Remote Similarity | NPC35734 |
0.6737 | Remote Similarity | NPC2634 |
0.6735 | Remote Similarity | NPC69408 |
0.6733 | Remote Similarity | NPC4166 |
0.6731 | Remote Similarity | NPC472869 |
0.6727 | Remote Similarity | NPC167419 |
0.6726 | Remote Similarity | NPC98765 |
0.6723 | Remote Similarity | NPC476813 |
0.6723 | Remote Similarity | NPC476814 |
0.6701 | Remote Similarity | NPC255021 |
0.6701 | Remote Similarity | NPC476904 |
0.6701 | Remote Similarity | NPC309852 |
0.6699 | Remote Similarity | NPC472864 |
0.6699 | Remote Similarity | NPC19849 |
0.6699 | Remote Similarity | NPC472865 |
0.6698 | Remote Similarity | NPC473999 |
0.6698 | Remote Similarity | NPC262043 |
0.6698 | Remote Similarity | NPC309603 |
0.6696 | Remote Similarity | NPC169375 |
0.6696 | Remote Similarity | NPC25340 |
0.6667 | Remote Similarity | NPC136948 |
0.6667 | Remote Similarity | NPC234707 |
0.6667 | Remote Similarity | NPC469805 |
0.6667 | Remote Similarity | NPC474736 |
0.6667 | Remote Similarity | NPC320514 |
0.6667 | Remote Similarity | NPC469804 |
0.6667 | Remote Similarity | NPC305501 |
0.6667 | Remote Similarity | NPC476290 |
0.6667 | Remote Similarity | NPC477581 |
0.6667 | Remote Similarity | NPC115023 |
0.6667 | Remote Similarity | NPC39966 |
0.6667 | Remote Similarity | NPC469806 |
0.6667 | Remote Similarity | NPC311092 |
0.6667 | Remote Similarity | NPC477583 |
0.6667 | Remote Similarity | NPC54123 |
0.6667 | Remote Similarity | NPC475239 |
0.6667 | Remote Similarity | NPC469799 |
0.6639 | Remote Similarity | NPC35037 |
0.6638 | Remote Similarity | NPC476276 |
0.6637 | Remote Similarity | NPC476755 |
0.6636 | Remote Similarity | NPC48010 |
0.6635 | Remote Similarity | NPC471224 |
0.6635 | Remote Similarity | NPC29447 |
0.6634 | Remote Similarity | NPC250632 |
0.6633 | Remote Similarity | NPC473171 |
0.6633 | Remote Similarity | NPC293803 |
0.6633 | Remote Similarity | NPC476346 |
0.6632 | Remote Similarity | NPC139397 |
0.6606 | Remote Similarity | NPC477290 |
0.6604 | Remote Similarity | NPC472870 |
0.66 | Remote Similarity | NPC82635 |
0.6598 | Remote Similarity | NPC109576 |
0.6598 | Remote Similarity | NPC130016 |
0.6598 | Remote Similarity | NPC180015 |
0.6598 | Remote Similarity | NPC470044 |
0.6598 | Remote Similarity | NPC56747 |
0.6598 | Remote Similarity | NPC470045 |
0.6579 | Remote Similarity | NPC474583 |
0.6574 | Remote Similarity | NPC23217 |
0.6574 | Remote Similarity | NPC473998 |
0.6574 | Remote Similarity | NPC475806 |
0.6569 | Remote Similarity | NPC477582 |
0.6566 | Remote Similarity | NPC7214 |
0.6562 | Remote Similarity | NPC260040 |
0.6555 | Remote Similarity | NPC56796 |
0.6555 | Remote Similarity | NPC476269 |
0.6538 | Remote Similarity | NPC476412 |
0.6538 | Remote Similarity | NPC164577 |
0.6538 | Remote Similarity | NPC214043 |
0.6538 | Remote Similarity | NPC248758 |
0.6538 | Remote Similarity | NPC85774 |
0.6529 | Remote Similarity | NPC288629 |
0.6526 | Remote Similarity | NPC20610 |
0.6525 | Remote Similarity | NPC72688 |
0.6509 | Remote Similarity | NPC93778 |
0.6505 | Remote Similarity | NPC193347 |
0.6496 | Remote Similarity | NPC476918 |
0.6495 | Remote Similarity | NPC21944 |
0.6495 | Remote Similarity | NPC133253 |
0.6486 | Remote Similarity | NPC476903 |
0.6484 | Remote Similarity | NPC471586 |
0.6481 | Remote Similarity | NPC85173 |
0.6481 | Remote Similarity | NPC472866 |
0.6476 | Remote Similarity | NPC76283 |
0.6476 | Remote Similarity | NPC476426 |
0.6476 | Remote Similarity | NPC469948 |
0.6476 | Remote Similarity | NPC474083 |
0.6476 | Remote Similarity | NPC24733 |
0.6471 | Remote Similarity | NPC469797 |
0.6471 | Remote Similarity | NPC474509 |
0.6471 | Remote Similarity | NPC469798 |
0.6471 | Remote Similarity | NPC472478 |
0.6466 | Remote Similarity | NPC233256 |
0.6466 | Remote Similarity | NPC36497 |
0.6466 | Remote Similarity | NPC195841 |
0.6465 | Remote Similarity | NPC469803 |
0.6465 | Remote Similarity | NPC255650 |
0.6458 | Remote Similarity | NPC256846 |
0.6458 | Remote Similarity | NPC182815 |
0.6457 | Remote Similarity | NPC237286 |
0.6455 | Remote Similarity | NPC8993 |
0.6449 | Remote Similarity | NPC34754 |
0.6449 | Remote Similarity | NPC117122 |
0.6442 | Remote Similarity | NPC477584 |
0.6442 | Remote Similarity | NPC97913 |
0.6436 | Remote Similarity | NPC470052 |
0.6436 | Remote Similarity | NPC275494 |
0.6436 | Remote Similarity | NPC471409 |
0.6435 | Remote Similarity | NPC45365 |
0.6435 | Remote Similarity | NPC293299 |
0.6429 | Remote Similarity | NPC140300 |
0.6429 | Remote Similarity | NPC476253 |
0.6422 | Remote Similarity | NPC204341 |
0.6417 | Remote Similarity | NPC124358 |
0.6415 | Remote Similarity | NPC31564 |
0.6415 | Remote Similarity | NPC186975 |
0.6415 | Remote Similarity | NPC194417 |
0.6415 | Remote Similarity | NPC145879 |
0.6415 | Remote Similarity | NPC474732 |
0.6415 | Remote Similarity | NPC469994 |
0.6415 | Remote Similarity | NPC474778 |
0.6415 | Remote Similarity | NPC474733 |
0.6408 | Remote Similarity | NPC477372 |
0.6408 | Remote Similarity | NPC278459 |
0.6408 | Remote Similarity | NPC147066 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC226509 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 |
---|---|---|---|
0.7921 | Intermediate Similarity | NPD5769 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD6404 | Discontinued |
0.6964 | Remote Similarity | NPD7812 | Clinical (unspecified phase) |
0.6916 | Remote Similarity | NPD5771 | Approved |
0.6737 | Remote Similarity | NPD4747 | Approved |
0.6737 | Remote Similarity | NPD4691 | Approved |
0.6632 | Remote Similarity | NPD4137 | Phase 3 |
0.6614 | Remote Similarity | NPD6330 | Clinical (unspecified phase) |
0.6602 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.6571 | Remote Similarity | NPD4519 | Discontinued |
0.6571 | Remote Similarity | NPD4623 | Approved |
0.6531 | Remote Similarity | NPD4058 | Approved |
0.6531 | Remote Similarity | NPD5733 | Approved |
0.6505 | Remote Similarity | NPD4221 | Approved |
0.6505 | Remote Similarity | NPD4223 | Phase 3 |
0.6476 | Remote Similarity | NPD5329 | Approved |
0.6466 | Remote Similarity | NPD7333 | Discontinued |
0.6385 | Remote Similarity | NPD6914 | Discontinued |
0.6381 | Remote Similarity | NPD4197 | Approved |
0.6364 | Remote Similarity | NPD4687 | Approved |
0.6327 | Remote Similarity | NPD5276 | Approved |
0.6273 | Remote Similarity | NPD6079 | Approved |
0.6262 | Remote Similarity | NPD4690 | Approved |
0.6262 | Remote Similarity | NPD4688 | Approved |
0.6262 | Remote Similarity | NPD4693 | Phase 3 |
0.6262 | Remote Similarity | NPD5205 | Approved |
0.6262 | Remote Similarity | NPD4138 | Approved |
0.6262 | Remote Similarity | NPD4689 | Approved |
0.6262 | Remote Similarity | NPD5690 | Phase 2 |
0.625 | Remote Similarity | NPD8028 | Phase 2 |
0.6239 | Remote Similarity | NPD5328 | Approved |
0.6226 | Remote Similarity | NPD3666 | Approved |
0.6226 | Remote Similarity | NPD3665 | Phase 1 |
0.6226 | Remote Similarity | NPD4786 | Approved |
0.6226 | Remote Similarity | NPD3133 | Approved |
0.6186 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD4096 | Approved |
0.6154 | Remote Similarity | NPD4695 | Discontinued |
0.6142 | Remote Similarity | NPD7739 | Clinical (unspecified phase) |
0.6117 | Remote Similarity | NPD3617 | Approved |
0.6111 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD3618 | Phase 1 |
0.6111 | Remote Similarity | NPD4694 | Approved |
0.6111 | Remote Similarity | NPD5280 | Approved |
0.6091 | Remote Similarity | NPD4753 | Phase 2 |
0.6061 | Remote Similarity | NPD6939 | Phase 2 |
0.6061 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.6058 | Remote Similarity | NPD4195 | Approved |
0.6053 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6038 | Remote Similarity | NPD3667 | Approved |
0.6036 | Remote Similarity | NPD6934 | Discontinued |
0.6016 | Remote Similarity | NPD6909 | Approved |
0.6016 | Remote Similarity | NPD6908 | Approved |
0.5969 | Remote Similarity | NPD7623 | Phase 3 |
0.5969 | Remote Similarity | NPD7624 | Clinical (unspecified phase) |
0.5965 | Remote Similarity | NPD5210 | Approved |
0.5965 | Remote Similarity | NPD4629 | Approved |
0.5963 | Remote Similarity | NPD5279 | Phase 3 |
0.5935 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.5932 | Remote Similarity | NPD5211 | Phase 2 |
0.5929 | Remote Similarity | NPD4202 | Approved |
0.5913 | Remote Similarity | NPD7614 | Phase 1 |
0.5913 | Remote Similarity | NPD5221 | Approved |
0.5913 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5913 | Remote Similarity | NPD5222 | Approved |
0.5909 | Remote Similarity | NPD7747 | Phase 1 |
0.5909 | Remote Similarity | NPD7746 | Phase 1 |
0.5862 | Remote Similarity | NPD6084 | Phase 2 |
0.5862 | Remote Similarity | NPD6083 | Phase 2 |
0.5862 | Remote Similarity | NPD5173 | Approved |
0.5856 | Remote Similarity | NPD4723 | Approved |
0.5856 | Remote Similarity | NPD6672 | Approved |
0.5856 | Remote Similarity | NPD4722 | Approved |
0.5856 | Remote Similarity | NPD5737 | Approved |
0.5854 | Remote Similarity | NPD6420 | Discontinued |
0.5841 | Remote Similarity | NPD5281 | Approved |
0.5841 | Remote Similarity | NPD5284 | Approved |
0.5833 | Remote Similarity | NPD4788 | Approved |
0.5833 | Remote Similarity | NPD5141 | Approved |
0.5818 | Remote Similarity | NPD6684 | Approved |
0.5818 | Remote Similarity | NPD7334 | Approved |
0.5818 | Remote Similarity | NPD7521 | Approved |
0.5818 | Remote Similarity | NPD7146 | Approved |
0.5818 | Remote Similarity | NPD5330 | Approved |
0.5818 | Remote Similarity | NPD6409 | Approved |
0.5804 | Remote Similarity | NPD6673 | Approved |
0.5804 | Remote Similarity | NPD6904 | Approved |
0.5804 | Remote Similarity | NPD6080 | Approved |
0.5789 | Remote Similarity | NPD6399 | Phase 3 |
0.5776 | Remote Similarity | NPD4697 | Phase 3 |
0.5763 | Remote Similarity | NPD5286 | Approved |
0.5763 | Remote Similarity | NPD5285 | Approved |
0.5763 | Remote Similarity | NPD4696 | Approved |
0.5755 | Remote Similarity | NPD7155 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD790 | Approved |
0.5726 | Remote Similarity | NPD4755 | Approved |
0.5714 | Remote Similarity | NPD5223 | Approved |
0.5714 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD6903 | Approved |
0.5714 | Remote Similarity | NPD8298 | Phase 2 |
0.5714 | Remote Similarity | NPD5208 | Approved |
0.5703 | Remote Similarity | NPD7500 | Approved |
0.5702 | Remote Similarity | NPD7515 | Phase 2 |
0.5702 | Remote Similarity | NPD5693 | Phase 1 |
0.569 | Remote Similarity | NPD5695 | Phase 3 |
0.5678 | Remote Similarity | NPD5696 | Approved |
0.5676 | Remote Similarity | NPD6098 | Approved |
0.5667 | Remote Similarity | NPD4633 | Approved |
0.5667 | Remote Similarity | NPD5224 | Approved |
0.5667 | Remote Similarity | NPD5091 | Approved |
0.5667 | Remote Similarity | NPD5225 | Approved |
0.5667 | Remote Similarity | NPD5226 | Approved |
0.5664 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD5133 | Approved |
0.5648 | Remote Similarity | NPD4692 | Approved |
0.5648 | Remote Similarity | NPD4139 | Approved |
0.5636 | Remote Similarity | NPD3668 | Phase 3 |
0.563 | Remote Similarity | NPD4700 | Approved |
0.563 | Remote Similarity | NPD8418 | Phase 2 |
0.562 | Remote Similarity | NPD5175 | Approved |
0.562 | Remote Similarity | NPD5174 | Approved |
0.5603 | Remote Similarity | NPD5707 | Approved |
0.5603 | Remote Similarity | NPD6333 | Approved |
0.5603 | Remote Similarity | NPD7748 | Approved |
0.5603 | Remote Similarity | NPD6334 | Approved |
PubChem CID   | 44358110 |
ChEMBL   | CHEMBL137039 |
ZINC   |
Molecular Weight:   | 438.32 |
ALogP:   | 2.0012 |
MLogP:   | 4.1 |
XLogP:   | 4.957 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 52.9 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 32 |