Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO26132 | Buxus natalensis | Species | Buxaceae | Eukaryota | uMhalanga Rocks nature reserve, Durban, South Africa | 2007-FEB |
PMID[20954721] |
|
NPO27700 | Alphitonia excelsa | Species | Rhamnaceae | Eukaryota | UNPD* | |||
NPO5507 | Eubotryoides grayana | Species | Ericaceae | Eukaryota | UNPD* | |||
NPO26132 | Buxus natalensis | Species | Buxaceae | Eukaryota | bark |
PMID[20954721] |
||
NPO27615 | Ambrosia deltoidea | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO27255 | Macaranga alnifolia | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO27999 | Aconitum nagarum | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO4617 | Tanacetum cinerariifolium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO27765 | Bryopsis plumosa | Species | Bryopsidaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | = | 40000 | nM | 20954721 |
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 NPC118275 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 |
---|---|---|
0.9462 | High Similarity | NPC311164 |
0.9462 | High Similarity | NPC272732 |
0.8687 | High Similarity | NPC135799 |
0.8155 | Intermediate Similarity | NPC176012 |
0.8119 | Intermediate Similarity | NPC474164 |
0.8113 | Intermediate Similarity | NPC159367 |
0.7905 | Intermediate Similarity | NPC241879 |
0.7843 | Intermediate Similarity | NPC476903 |
0.77 | Intermediate Similarity | NPC84171 |
0.7576 | Intermediate Similarity | NPC21035 |
0.7551 | Intermediate Similarity | NPC75810 |
0.7545 | Intermediate Similarity | NPC85001 |
0.7545 | Intermediate Similarity | NPC147835 |
0.7545 | Intermediate Similarity | NPC253645 |
0.7545 | Intermediate Similarity | NPC95920 |
0.7419 | Intermediate Similarity | NPC125828 |
0.7407 | Intermediate Similarity | NPC98765 |
0.7358 | Intermediate Similarity | NPC91604 |
0.7315 | Intermediate Similarity | NPC50815 |
0.7315 | Intermediate Similarity | NPC471083 |
0.729 | Intermediate Similarity | NPC275686 |
0.7264 | Intermediate Similarity | NPC140300 |
0.7207 | Intermediate Similarity | NPC244982 |
0.7207 | Intermediate Similarity | NPC25340 |
0.7207 | Intermediate Similarity | NPC476756 |
0.7182 | Intermediate Similarity | NPC212874 |
0.7156 | Intermediate Similarity | NPC247060 |
0.7155 | Intermediate Similarity | NPC304646 |
0.7155 | Intermediate Similarity | NPC28280 |
0.7105 | Intermediate Similarity | NPC79238 |
0.7091 | Intermediate Similarity | NPC90538 |
0.7018 | Intermediate Similarity | NPC472313 |
0.7009 | Intermediate Similarity | NPC289140 |
0.6981 | Remote Similarity | NPC280710 |
0.6981 | Remote Similarity | NPC243985 |
0.6964 | Remote Similarity | NPC233256 |
0.6964 | Remote Similarity | NPC55462 |
0.6964 | Remote Similarity | NPC195841 |
0.6957 | Remote Similarity | NPC474459 |
0.6937 | Remote Similarity | NPC474583 |
0.6903 | Remote Similarity | NPC46981 |
0.69 | Remote Similarity | NPC201852 |
0.6897 | Remote Similarity | NPC56796 |
0.6897 | Remote Similarity | NPC474452 |
0.6887 | Remote Similarity | NPC93027 |
0.6847 | Remote Similarity | NPC476755 |
0.6842 | Remote Similarity | NPC474140 |
0.6837 | Remote Similarity | NPC186191 |
0.6837 | Remote Similarity | NPC477514 |
0.6837 | Remote Similarity | NPC205455 |
0.6837 | Remote Similarity | NPC307965 |
0.6837 | Remote Similarity | NPC477522 |
0.6837 | Remote Similarity | NPC18603 |
0.6837 | Remote Similarity | NPC76931 |
0.6833 | Remote Similarity | NPC35037 |
0.6829 | Remote Similarity | NPC296686 |
0.68 | Remote Similarity | NPC118329 |
0.68 | Remote Similarity | NPC152039 |
0.68 | Remote Similarity | NPC329782 |
0.6789 | Remote Similarity | NPC240650 |
0.6768 | Remote Similarity | NPC211322 |
0.6768 | Remote Similarity | NPC1319 |
0.6752 | Remote Similarity | NPC124358 |
0.6733 | Remote Similarity | NPC472312 |
0.6733 | Remote Similarity | NPC20853 |
0.6724 | Remote Similarity | NPC472359 |
0.6701 | Remote Similarity | NPC471723 |
0.6701 | Remote Similarity | NPC285893 |
0.6701 | Remote Similarity | NPC141071 |
0.6701 | Remote Similarity | NPC22105 |
0.6701 | Remote Similarity | NPC288035 |
0.6701 | Remote Similarity | NPC230301 |
0.6701 | Remote Similarity | NPC257347 |
0.6701 | Remote Similarity | NPC134847 |
0.6701 | Remote Similarity | NPC162742 |
0.6701 | Remote Similarity | NPC304309 |
0.6701 | Remote Similarity | NPC28657 |
0.6701 | Remote Similarity | NPC136188 |
0.6701 | Remote Similarity | NPC471468 |
0.67 | Remote Similarity | NPC26117 |
0.67 | Remote Similarity | NPC12035 |
0.6696 | Remote Similarity | NPC58200 |
0.6667 | Remote Similarity | NPC478138 |
0.6667 | Remote Similarity | NPC318136 |
0.6667 | Remote Similarity | NPC86906 |
0.6637 | Remote Similarity | NPC473254 |
0.6634 | Remote Similarity | NPC474122 |
0.6633 | Remote Similarity | NPC134330 |
0.6633 | Remote Similarity | NPC189883 |
0.6633 | Remote Similarity | NPC321381 |
0.6633 | Remote Similarity | NPC321016 |
0.6633 | Remote Similarity | NPC46160 |
0.6633 | Remote Similarity | NPC96319 |
0.6633 | Remote Similarity | NPC247325 |
0.6633 | Remote Similarity | NPC107059 |
0.6633 | Remote Similarity | NPC202642 |
0.6633 | Remote Similarity | NPC240604 |
0.6633 | Remote Similarity | NPC470362 |
0.6633 | Remote Similarity | NPC300324 |
0.6633 | Remote Similarity | NPC113733 |
0.6633 | Remote Similarity | NPC244488 |
0.6633 | Remote Similarity | NPC129165 |
0.6612 | Remote Similarity | NPC474006 |
0.6606 | Remote Similarity | NPC476261 |
0.6606 | Remote Similarity | NPC119225 |
0.6606 | Remote Similarity | NPC25033 |
0.6606 | Remote Similarity | NPC471635 |
0.6606 | Remote Similarity | NPC470382 |
0.6598 | Remote Similarity | NPC27395 |
0.6598 | Remote Similarity | NPC329090 |
0.6598 | Remote Similarity | NPC476904 |
0.6596 | Remote Similarity | NPC160209 |
0.6587 | Remote Similarity | NPC317654 |
0.6587 | Remote Similarity | NPC96010 |
0.6579 | Remote Similarity | NPC475239 |
0.6571 | Remote Similarity | NPC271967 |
0.6569 | Remote Similarity | NPC202389 |
0.6569 | Remote Similarity | NPC1272 |
0.6569 | Remote Similarity | NPC470614 |
0.6566 | Remote Similarity | NPC198968 |
0.6566 | Remote Similarity | NPC34019 |
0.6566 | Remote Similarity | NPC214570 |
0.6566 | Remote Similarity | NPC318495 |
0.6566 | Remote Similarity | NPC155986 |
0.6562 | Remote Similarity | NPC21773 |
0.6555 | Remote Similarity | NPC478137 |
0.6531 | Remote Similarity | NPC121744 |
0.6531 | Remote Similarity | NPC319090 |
0.6531 | Remote Similarity | NPC328104 |
0.6531 | Remote Similarity | NPC322353 |
0.6531 | Remote Similarity | NPC118508 |
0.6526 | Remote Similarity | NPC269877 |
0.6526 | Remote Similarity | NPC167272 |
0.6525 | Remote Similarity | NPC66862 |
0.6522 | Remote Similarity | NPC477292 |
0.6518 | Remote Similarity | NPC239768 |
0.6518 | Remote Similarity | NPC128698 |
0.6512 | Remote Similarity | NPC40488 |
0.6509 | Remote Similarity | NPC470542 |
0.6509 | Remote Similarity | NPC2158 |
0.6509 | Remote Similarity | NPC34754 |
0.6505 | Remote Similarity | NPC470384 |
0.65 | Remote Similarity | NPC87604 |
0.65 | Remote Similarity | NPC474216 |
0.65 | Remote Similarity | NPC473943 |
0.65 | Remote Similarity | NPC275910 |
0.65 | Remote Similarity | NPC473971 |
0.65 | Remote Similarity | NPC475363 |
0.65 | Remote Similarity | NPC473972 |
0.6491 | Remote Similarity | NPC293299 |
0.6491 | Remote Similarity | NPC45365 |
0.6486 | Remote Similarity | NPC167419 |
0.6476 | Remote Similarity | NPC166458 |
0.6471 | Remote Similarity | NPC6707 |
0.6465 | Remote Similarity | NPC73875 |
0.6465 | Remote Similarity | NPC237460 |
0.6465 | Remote Similarity | NPC315261 |
0.6458 | Remote Similarity | NPC9161 |
0.6458 | Remote Similarity | NPC49422 |
0.6452 | Remote Similarity | NPC238352 |
0.6452 | Remote Similarity | NPC477009 |
0.6442 | Remote Similarity | NPC82902 |
0.6442 | Remote Similarity | NPC124172 |
0.6442 | Remote Similarity | NPC231310 |
0.6442 | Remote Similarity | NPC209802 |
0.6442 | Remote Similarity | NPC238485 |
0.6441 | Remote Similarity | NPC287764 |
0.6441 | Remote Similarity | NPC63511 |
0.6441 | Remote Similarity | NPC72753 |
0.6436 | Remote Similarity | NPC109546 |
0.6436 | Remote Similarity | NPC143182 |
0.6436 | Remote Similarity | NPC30986 |
0.6436 | Remote Similarity | NPC84694 |
0.6436 | Remote Similarity | NPC328714 |
0.6436 | Remote Similarity | NPC28862 |
0.6436 | Remote Similarity | NPC81306 |
0.6436 | Remote Similarity | NPC209430 |
0.6436 | Remote Similarity | NPC47982 |
0.6421 | Remote Similarity | NPC216460 |
0.6421 | Remote Similarity | NPC208999 |
0.6408 | Remote Similarity | NPC215474 |
0.6392 | Remote Similarity | NPC265789 |
0.6389 | Remote Similarity | NPC69622 |
0.6389 | Remote Similarity | NPC107189 |
0.6385 | Remote Similarity | NPC15249 |
0.6385 | Remote Similarity | NPC25455 |
0.6381 | Remote Similarity | NPC474349 |
0.6381 | Remote Similarity | NPC152684 |
0.6381 | Remote Similarity | NPC24733 |
0.6381 | Remote Similarity | NPC474189 |
0.6381 | Remote Similarity | NPC474218 |
0.6381 | Remote Similarity | NPC318390 |
0.6378 | Remote Similarity | NPC237286 |
0.6373 | Remote Similarity | NPC164840 |
0.6373 | Remote Similarity | NPC236112 |
0.6373 | Remote Similarity | NPC209944 |
0.6373 | Remote Similarity | NPC241290 |
0.6373 | Remote Similarity | NPC234193 |
0.6346 | Remote Similarity | NPC477818 |
0.6346 | Remote Similarity | NPC21667 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC118275 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 |
---|---|---|---|
0.6752 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.6752 | Remote Similarity | NPD7336 | Phase 2 |
0.6752 | Remote Similarity | NPD7335 | Phase 2 |
0.6701 | Remote Similarity | NPD7339 | Approved |
0.6701 | Remote Similarity | NPD6942 | Approved |
0.6633 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6598 | Remote Similarity | NPD6926 | Approved |
0.6598 | Remote Similarity | NPD6924 | Approved |
0.6562 | Remote Similarity | NPD4243 | Approved |
0.6526 | Remote Similarity | NPD6922 | Approved |
0.6526 | Remote Similarity | NPD6923 | Approved |
0.6465 | Remote Similarity | NPD6933 | Approved |
0.6458 | Remote Similarity | NPD7143 | Approved |
0.6458 | Remote Similarity | NPD7144 | Approved |
0.6429 | Remote Similarity | NPD4784 | Approved |
0.6429 | Remote Similarity | NPD4785 | Approved |
0.6392 | Remote Similarity | NPD7151 | Approved |
0.6392 | Remote Similarity | NPD7152 | Approved |
0.6392 | Remote Similarity | NPD7150 | Approved |
0.6364 | Remote Similarity | NPD5771 | Approved |
0.6339 | Remote Similarity | NPD7920 | Phase 3 |
0.6339 | Remote Similarity | NPD7919 | Phase 3 |
0.6336 | Remote Similarity | NPD8449 | Approved |
0.6288 | Remote Similarity | NPD8450 | Suspended |
0.6283 | Remote Similarity | NPD8088 | Phase 1 |
0.6275 | Remote Similarity | NPD6929 | Approved |
0.6239 | Remote Similarity | NPD7333 | Discontinued |
0.6214 | Remote Similarity | NPD6931 | Approved |
0.6214 | Remote Similarity | NPD7525 | Registered |
0.6214 | Remote Similarity | NPD6930 | Phase 2 |
0.62 | Remote Similarity | NPD4190 | Phase 3 |
0.62 | Remote Similarity | NPD5275 | Approved |
0.6132 | Remote Similarity | NPD3665 | Phase 1 |
0.6132 | Remote Similarity | NPD3133 | Approved |
0.6132 | Remote Similarity | NPD3666 | Approved |
0.6132 | Remote Similarity | NPD4786 | Approved |
0.6111 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6078 | Remote Similarity | NPD5776 | Phase 2 |
0.6078 | Remote Similarity | NPD6932 | Approved |
0.6078 | Remote Similarity | NPD6925 | Approved |
0.6058 | Remote Similarity | NPD4748 | Discontinued |
0.6058 | Remote Similarity | NPD7509 | Discontinued |
0.6055 | Remote Similarity | NPD4723 | Approved |
0.6055 | Remote Similarity | NPD4722 | Approved |
0.6038 | Remote Similarity | NPD6695 | Phase 3 |
0.6019 | Remote Similarity | NPD8308 | Discontinued |
0.6019 | Remote Similarity | NPD5279 | Phase 3 |
0.6019 | Remote Similarity | NPD7145 | Approved |
0.6 | Remote Similarity | NPD4031 | Approved |
0.6 | Remote Similarity | NPD4032 | Approved |
0.5981 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5962 | Remote Similarity | NPD4195 | Approved |
0.5962 | Remote Similarity | NPD6683 | Phase 2 |
0.5946 | Remote Similarity | NPD4096 | Approved |
0.5944 | Remote Similarity | NPD8131 | Suspended |
0.5943 | Remote Similarity | NPD3667 | Approved |
0.5926 | Remote Similarity | NPD6893 | Approved |
0.5905 | Remote Similarity | NPD7514 | Phase 3 |
0.5872 | Remote Similarity | NPD4694 | Approved |
0.5872 | Remote Similarity | NPD5280 | Approved |
0.5865 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD2227 | Clinical (unspecified phase) |
0.5856 | Remote Similarity | NPD4753 | Phase 2 |
0.5856 | Remote Similarity | NPD5328 | Approved |
0.5849 | Remote Similarity | NPD6902 | Approved |
0.5847 | Remote Similarity | NPD4719 | Phase 2 |
0.5841 | Remote Similarity | NPD4202 | Approved |
0.5826 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5818 | Remote Similarity | NPD7750 | Discontinued |
0.5818 | Remote Similarity | NPD7524 | Approved |
0.5814 | Remote Similarity | NPD6908 | Approved |
0.5814 | Remote Similarity | NPD6909 | Approved |
0.581 | Remote Similarity | NPD7645 | Phase 2 |
0.5804 | Remote Similarity | NPD4001 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD4221 | Approved |
0.5794 | Remote Similarity | NPD7755 | Approved |
0.5794 | Remote Similarity | NPD4223 | Phase 3 |
0.5794 | Remote Similarity | NPD7754 | Approved |
0.578 | Remote Similarity | NPD5329 | Approved |
0.5755 | Remote Similarity | NPD7332 | Phase 2 |
0.5752 | Remote Similarity | NPD6079 | Approved |
0.5743 | Remote Similarity | NPD5365 | Phase 2 |
0.5728 | Remote Similarity | NPD8264 | Approved |
0.5727 | Remote Similarity | NPD3618 | Phase 1 |
0.5701 | Remote Similarity | NPD6898 | Phase 1 |
0.5694 | Remote Similarity | NPD3638 | Discontinued |
0.5692 | Remote Similarity | NPD1710 | Approved |
0.5688 | Remote Similarity | NPD4197 | Approved |
0.5678 | Remote Similarity | NPD6404 | Discontinued |
0.5659 | Remote Similarity | NPD7522 | Discontinued |
0.5645 | Remote Similarity | NPD6420 | Discontinued |
0.5641 | Remote Similarity | NPD6083 | Phase 2 |
0.5641 | Remote Similarity | NPD6084 | Phase 2 |
0.5641 | Remote Similarity | NPD4755 | Approved |
0.5614 | Remote Similarity | NPD7087 | Discontinued |
0.5614 | Remote Similarity | NPD5281 | Approved |
0.5614 | Remote Similarity | NPD5284 | Approved |
0.5603 | Remote Similarity | NPD5210 | Approved |
0.5603 | Remote Similarity | NPD4629 | Approved |
PubChem CID   | 10811757 |
ChEMBL   | CHEMBL1651038 |
ZINC   |
Molecular Weight:   | 414.36 |
ALogP:   | 1.4438 |
MLogP:   | 4.1 |
XLogP:   | 5.36 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 35.5 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 4 |
# Heavy Atoms:   | 30 |