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] |
|
NPO11067 | Buxus papillosa | Species | Buxaceae | Eukaryota |
PMID[20954721] |
|||
NPO26132 | Buxus natalensis | Species | Buxaceae | Eukaryota | bark |
PMID[20954721] |
||
NPO24059 | Agathosma recurvifolia | Species | Rutaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | = | 58200 | 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 NPC259252 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 |
---|---|---|
0.9634 | High Similarity | NPC182106 |
0.9634 | High Similarity | NPC311769 |
0.931 | High Similarity | NPC476753 |
0.931 | High Similarity | NPC476752 |
0.8989 | High Similarity | NPC476754 |
0.7865 | Intermediate Similarity | NPC21667 |
0.7778 | Intermediate Similarity | NPC152718 |
0.7732 | Intermediate Similarity | NPC184033 |
0.7692 | Intermediate Similarity | NPC147513 |
0.7653 | Intermediate Similarity | NPC140685 |
0.7647 | Intermediate Similarity | NPC255021 |
0.7609 | Intermediate Similarity | NPC157479 |
0.76 | Intermediate Similarity | NPC226509 |
0.7558 | Intermediate Similarity | NPC255650 |
0.7553 | Intermediate Similarity | NPC249312 |
0.75 | Intermediate Similarity | NPC214770 |
0.75 | Intermediate Similarity | NPC477856 |
0.75 | Intermediate Similarity | NPC474001 |
0.7471 | Intermediate Similarity | NPC69408 |
0.7451 | Intermediate Similarity | NPC469958 |
0.7426 | Intermediate Similarity | NPC58200 |
0.7379 | Intermediate Similarity | NPC230677 |
0.7363 | Intermediate Similarity | NPC215474 |
0.7356 | Intermediate Similarity | NPC293803 |
0.7326 | Intermediate Similarity | NPC251705 |
0.7326 | Intermediate Similarity | NPC474228 |
0.7326 | Intermediate Similarity | NPC303613 |
0.7294 | Intermediate Similarity | NPC159577 |
0.7294 | Intermediate Similarity | NPC282593 |
0.7294 | Intermediate Similarity | NPC251929 |
0.7294 | Intermediate Similarity | NPC265782 |
0.7294 | Intermediate Similarity | NPC35734 |
0.7294 | Intermediate Similarity | NPC2634 |
0.7255 | Intermediate Similarity | NPC476755 |
0.7253 | Intermediate Similarity | NPC90150 |
0.7241 | Intermediate Similarity | NPC476904 |
0.7209 | Intermediate Similarity | NPC115023 |
0.7209 | Intermediate Similarity | NPC305501 |
0.7209 | Intermediate Similarity | NPC54123 |
0.7209 | Intermediate Similarity | NPC234707 |
0.7209 | Intermediate Similarity | NPC21773 |
0.7176 | Intermediate Similarity | NPC139397 |
0.7176 | Intermediate Similarity | NPC477857 |
0.7143 | Intermediate Similarity | NPC250632 |
0.7126 | Intermediate Similarity | NPC470044 |
0.7126 | Intermediate Similarity | NPC470045 |
0.7093 | Intermediate Similarity | NPC260040 |
0.7093 | Intermediate Similarity | NPC307176 |
0.7059 | Intermediate Similarity | NPC20610 |
0.7045 | Intermediate Similarity | NPC474797 |
0.7045 | Intermediate Similarity | NPC474796 |
0.7045 | Intermediate Similarity | NPC309852 |
0.7045 | Intermediate Similarity | NPC329866 |
0.7024 | Intermediate Similarity | NPC189917 |
0.7024 | Intermediate Similarity | NPC39462 |
0.7024 | Intermediate Similarity | NPC96812 |
0.7024 | Intermediate Similarity | NPC107704 |
0.7024 | Intermediate Similarity | NPC168824 |
0.7021 | Intermediate Similarity | NPC178025 |
0.7021 | Intermediate Similarity | NPC16287 |
0.7021 | Intermediate Similarity | NPC181743 |
0.7011 | Intermediate Similarity | NPC5701 |
0.7011 | Intermediate Similarity | NPC110615 |
0.6979 | Remote Similarity | NPC43308 |
0.6977 | Remote Similarity | NPC182815 |
0.6957 | Remote Similarity | NPC474509 |
0.6947 | Remote Similarity | NPC60350 |
0.6947 | Remote Similarity | NPC152684 |
0.6897 | Remote Similarity | NPC40574 |
0.6889 | Remote Similarity | NPC7214 |
0.6852 | Remote Similarity | NPC175585 |
0.6848 | Remote Similarity | NPC211322 |
0.6824 | Remote Similarity | NPC323005 |
0.6822 | Remote Similarity | NPC476756 |
0.6822 | Remote Similarity | NPC244982 |
0.6818 | Remote Similarity | NPC225467 |
0.6818 | Remote Similarity | NPC190035 |
0.6818 | Remote Similarity | NPC265789 |
0.6818 | Remote Similarity | NPC470078 |
0.6804 | Remote Similarity | NPC476293 |
0.6786 | Remote Similarity | NPC285371 |
0.6778 | Remote Similarity | NPC125828 |
0.6778 | Remote Similarity | NPC473171 |
0.6771 | Remote Similarity | NPC76283 |
0.6771 | Remote Similarity | NPC34811 |
0.6771 | Remote Similarity | NPC75810 |
0.6765 | Remote Similarity | NPC247220 |
0.6759 | Remote Similarity | NPC476918 |
0.6744 | Remote Similarity | NPC20181 |
0.6744 | Remote Similarity | NPC176107 |
0.6744 | Remote Similarity | NPC220210 |
0.6729 | Remote Similarity | NPC233256 |
0.6729 | Remote Similarity | NPC195841 |
0.6703 | Remote Similarity | NPC469793 |
0.6703 | Remote Similarity | NPC469796 |
0.6667 | Remote Similarity | NPC142754 |
0.6667 | Remote Similarity | NPC170793 |
0.6667 | Remote Similarity | NPC296697 |
0.6667 | Remote Similarity | NPC90965 |
0.6667 | Remote Similarity | NPC188292 |
0.6667 | Remote Similarity | NPC39157 |
0.6667 | Remote Similarity | NPC34193 |
0.6667 | Remote Similarity | NPC260474 |
0.6667 | Remote Similarity | NPC82477 |
0.6667 | Remote Similarity | NPC310992 |
0.6636 | Remote Similarity | NPC475239 |
0.6632 | Remote Similarity | NPC472239 |
0.663 | Remote Similarity | NPC91665 |
0.6629 | Remote Similarity | NPC223187 |
0.6628 | Remote Similarity | NPC92327 |
0.6628 | Remote Similarity | NPC43300 |
0.6591 | Remote Similarity | NPC286814 |
0.6591 | Remote Similarity | NPC138409 |
0.6591 | Remote Similarity | NPC256846 |
0.6588 | Remote Similarity | NPC212210 |
0.6588 | Remote Similarity | NPC469662 |
0.6577 | Remote Similarity | NPC143173 |
0.6574 | Remote Similarity | NPC476328 |
0.6574 | Remote Similarity | NPC476926 |
0.6562 | Remote Similarity | NPC171639 |
0.6559 | Remote Similarity | NPC115515 |
0.6542 | Remote Similarity | NPC98765 |
0.6535 | Remote Similarity | NPC23217 |
0.6526 | Remote Similarity | NPC152039 |
0.6526 | Remote Similarity | NPC257962 |
0.6526 | Remote Similarity | NPC118329 |
0.6526 | Remote Similarity | NPC329782 |
0.6522 | Remote Similarity | NPC474006 |
0.6518 | Remote Similarity | NPC124358 |
0.6517 | Remote Similarity | NPC120167 |
0.6517 | Remote Similarity | NPC473442 |
0.6489 | Remote Similarity | NPC215843 |
0.6484 | Remote Similarity | NPC159497 |
0.6484 | Remote Similarity | NPC211641 |
0.6481 | Remote Similarity | NPC119329 |
0.6477 | Remote Similarity | NPC87141 |
0.6471 | Remote Similarity | NPC197238 |
0.6471 | Remote Similarity | NPC472306 |
0.6471 | Remote Similarity | NPC165695 |
0.6471 | Remote Similarity | NPC202118 |
0.6465 | Remote Similarity | NPC93778 |
0.6458 | Remote Similarity | NPC472867 |
0.6458 | Remote Similarity | NPC3511 |
0.6458 | Remote Similarity | NPC320514 |
0.6458 | Remote Similarity | NPC469804 |
0.6458 | Remote Similarity | NPC142253 |
0.6458 | Remote Similarity | NPC472312 |
0.6458 | Remote Similarity | NPC100297 |
0.6458 | Remote Similarity | NPC469805 |
0.6455 | Remote Similarity | NPC24596 |
0.6455 | Remote Similarity | NPC476276 |
0.6455 | Remote Similarity | NPC476920 |
0.6455 | Remote Similarity | NPC476919 |
0.6452 | Remote Similarity | NPC470557 |
0.6444 | Remote Similarity | NPC181204 |
0.6442 | Remote Similarity | NPC476903 |
0.6435 | Remote Similarity | NPC473573 |
0.6429 | Remote Similarity | NPC25853 |
0.6429 | Remote Similarity | NPC29447 |
0.6429 | Remote Similarity | NPC127582 |
0.6422 | Remote Similarity | NPC185929 |
0.6421 | Remote Similarity | NPC12035 |
0.6421 | Remote Similarity | NPC469797 |
0.6421 | Remote Similarity | NPC469798 |
0.6415 | Remote Similarity | NPC128698 |
0.6415 | Remote Similarity | NPC477964 |
0.6415 | Remote Similarity | NPC239768 |
0.6395 | Remote Similarity | NPC475124 |
0.6392 | Remote Similarity | NPC474976 |
0.6392 | Remote Similarity | NPC3856 |
0.6392 | Remote Similarity | NPC474790 |
0.6392 | Remote Similarity | NPC279639 |
0.6389 | Remote Similarity | NPC241879 |
0.6386 | Remote Similarity | NPC266295 |
0.6386 | Remote Similarity | NPC94991 |
0.6383 | Remote Similarity | NPC469996 |
0.6383 | Remote Similarity | NPC470052 |
0.6383 | Remote Similarity | NPC82635 |
0.6383 | Remote Similarity | NPC228911 |
0.6374 | Remote Similarity | NPC474488 |
0.6364 | Remote Similarity | NPC166458 |
0.6364 | Remote Similarity | NPC475523 |
0.6354 | Remote Similarity | NPC473217 |
0.6353 | Remote Similarity | NPC213152 |
0.6353 | Remote Similarity | NPC219621 |
0.6353 | Remote Similarity | NPC60565 |
0.6346 | Remote Similarity | NPC476174 |
0.6344 | Remote Similarity | NPC476308 |
0.6344 | Remote Similarity | NPC474463 |
0.6339 | Remote Similarity | NPC63511 |
0.633 | Remote Similarity | NPC476921 |
0.6327 | Remote Similarity | NPC87552 |
0.6327 | Remote Similarity | NPC214043 |
0.6327 | Remote Similarity | NPC85774 |
0.6322 | Remote Similarity | NPC251118 |
0.6311 | Remote Similarity | NPC93027 |
0.6311 | Remote Similarity | NPC12722 |
0.6311 | Remote Similarity | NPC247316 |
0.6311 | Remote Similarity | NPC79698 |
0.6311 | Remote Similarity | NPC478129 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC259252 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 |
---|---|---|---|
0.7423 | Intermediate Similarity | NPD5769 | Clinical (unspecified phase) |
0.7294 | Intermediate Similarity | NPD4691 | Approved |
0.7176 | Intermediate Similarity | NPD4137 | Phase 3 |
0.7093 | Intermediate Similarity | NPD4747 | Approved |
0.7045 | Intermediate Similarity | NPD4058 | Approved |
0.6915 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.6882 | Remote Similarity | NPD8028 | Phase 2 |
0.686 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6854 | Remote Similarity | NPD5733 | Approved |
0.6848 | Remote Similarity | NPD7155 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4687 | Approved |
0.6636 | Remote Similarity | NPD7812 | Clinical (unspecified phase) |
0.6629 | Remote Similarity | NPD5276 | Approved |
0.6442 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6289 | Remote Similarity | NPD4223 | Phase 3 |
0.6289 | Remote Similarity | NPD4221 | Approved |
0.6263 | Remote Similarity | NPD5329 | Approved |
0.6238 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6211 | Remote Similarity | NPD3617 | Approved |
0.62 | Remote Similarity | NPD7146 | Approved |
0.62 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD6409 | Approved |
0.62 | Remote Similarity | NPD7334 | Approved |
0.62 | Remote Similarity | NPD7521 | Approved |
0.62 | Remote Similarity | NPD5330 | Approved |
0.62 | Remote Similarity | NPD6684 | Approved |
0.6179 | Remote Similarity | NPD6330 | Clinical (unspecified phase) |
0.6162 | Remote Similarity | NPD3665 | Phase 1 |
0.6162 | Remote Similarity | NPD3133 | Approved |
0.6162 | Remote Similarity | NPD4197 | Approved |
0.6162 | Remote Similarity | NPD3666 | Approved |
0.6126 | Remote Similarity | NPD7333 | Discontinued |
0.6117 | Remote Similarity | NPD6934 | Discontinued |
0.6078 | Remote Similarity | NPD6672 | Approved |
0.6078 | Remote Similarity | NPD5737 | Approved |
0.6078 | Remote Similarity | NPD6903 | Approved |
0.6058 | Remote Similarity | NPD6079 | Approved |
0.604 | Remote Similarity | NPD5690 | Phase 2 |
0.604 | Remote Similarity | NPD4690 | Approved |
0.604 | Remote Similarity | NPD4138 | Approved |
0.604 | Remote Similarity | NPD5205 | Approved |
0.604 | Remote Similarity | NPD4689 | Approved |
0.604 | Remote Similarity | NPD4693 | Phase 3 |
0.604 | Remote Similarity | NPD4688 | Approved |
0.604 | Remote Similarity | NPD3618 | Phase 1 |
0.6038 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.6019 | Remote Similarity | NPD5328 | Approved |
0.6019 | Remote Similarity | NPD6904 | Approved |
0.6019 | Remote Similarity | NPD6673 | Approved |
0.6019 | Remote Similarity | NPD6080 | Approved |
0.6 | Remote Similarity | NPD4786 | Approved |
0.5981 | Remote Similarity | NPD7614 | Phase 1 |
0.5981 | Remote Similarity | NPD7732 | Phase 3 |
0.5963 | Remote Similarity | NPD6404 | Discontinued |
0.5962 | Remote Similarity | NPD4096 | Approved |
0.596 | Remote Similarity | NPD3667 | Approved |
0.5943 | Remote Similarity | NPD5771 | Approved |
0.5943 | Remote Similarity | NPD6001 | Approved |
0.5926 | Remote Similarity | NPD4655 | Approved |
0.5926 | Remote Similarity | NPD4657 | Approved |
0.5922 | Remote Similarity | NPD5208 | Approved |
0.5918 | Remote Similarity | NPD4695 | Discontinued |
0.5914 | Remote Similarity | NPD5365 | Phase 2 |
0.59 | Remote Similarity | NPD4788 | Approved |
0.5882 | Remote Similarity | NPD5280 | Approved |
0.5882 | Remote Similarity | NPD4694 | Approved |
0.5882 | Remote Similarity | NPD6098 | Approved |
0.5865 | Remote Similarity | NPD4753 | Phase 2 |
0.5856 | Remote Similarity | NPD6024 | Approved |
0.5856 | Remote Similarity | NPD6027 | Approved |
0.5849 | Remote Similarity | NPD5133 | Approved |
0.5842 | Remote Similarity | NPD3668 | Phase 3 |
0.5816 | Remote Similarity | NPD4195 | Approved |
0.5814 | Remote Similarity | NPD287 | Approved |
0.5755 | Remote Similarity | NPD5693 | Phase 1 |
0.5755 | Remote Similarity | NPD6050 | Approved |
0.5741 | Remote Similarity | NPD5210 | Approved |
0.5741 | Remote Similarity | NPD4094 | Approved |
0.5741 | Remote Similarity | NPD4629 | Approved |
0.5728 | Remote Similarity | NPD4623 | Approved |
0.5728 | Remote Similarity | NPD5279 | Phase 3 |
0.5728 | Remote Similarity | NPD4519 | Discontinued |
0.5714 | Remote Similarity | NPD4776 | Phase 2 |
0.5714 | Remote Similarity | NPD4777 | Suspended |
0.5714 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5702 | Remote Similarity | NPD6920 | Discontinued |
0.5701 | Remote Similarity | NPD4202 | Approved |
0.5691 | Remote Similarity | NPD6909 | Approved |
0.5691 | Remote Similarity | NPD6908 | Approved |
0.5688 | Remote Similarity | NPD5221 | Approved |
0.5688 | Remote Similarity | NPD5222 | Approved |
0.5688 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5673 | Remote Similarity | NPD3573 | Approved |
0.566 | Remote Similarity | NPD5692 | Phase 3 |
0.566 | Remote Similarity | NPD5207 | Approved |
0.5638 | Remote Similarity | NPD6939 | Phase 2 |
0.5638 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD6083 | Phase 2 |
0.5636 | Remote Similarity | NPD5959 | Approved |
0.5636 | Remote Similarity | NPD5173 | Approved |
0.5636 | Remote Similarity | NPD6084 | Phase 2 |
0.5607 | Remote Similarity | NPD5694 | Approved |
0.5607 | Remote Similarity | NPD7515 | Phase 2 |
0.5607 | Remote Similarity | NPD5284 | Approved |
0.5607 | Remote Similarity | NPD5281 | Approved |
0.5603 | Remote Similarity | NPD6415 | Discontinued |
PubChem CID   | 50908834 |
ChEMBL   | CHEMBL1651048 |
ZINC   |
Molecular Weight:   | 383.32 |
ALogP:   | 1.9739 |
MLogP:   | 4.1 |
XLogP:   | 6.915 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 20.31 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 5 |
# Heavy Atoms:   | 28 |