Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT91 | Cell Line | KB | Homo sapiens | IC50 | = | 120000 | nM | 10.6019/CHEMBL1201861 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 352000 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | IC50 | > | 30000 | nM | 23368996 | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 357000 | nM | 10924160 |
NPT2 | Others | Unspecified | IC50 | > | 30000 | nM | 26264847 | |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | > | 30000 | nM | 26344590 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 101000 | nM | 23558238 |
NPT737 | Cell Line | HUVEC | Homo sapiens | IC50 | > | 30000 | nM | 18926711 |
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 NPC469884 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 |
---|---|---|
0.75 | Intermediate Similarity | NPC251429 |
0.7241 | Intermediate Similarity | NPC264391 |
0.7204 | Intermediate Similarity | NPC150063 |
0.7204 | Intermediate Similarity | NPC119740 |
0.71 | Intermediate Similarity | NPC469851 |
0.7041 | Intermediate Similarity | NPC318082 |
0.7011 | Intermediate Similarity | NPC26504 |
0.6979 | Remote Similarity | NPC146852 |
0.6961 | Remote Similarity | NPC320294 |
0.6952 | Remote Similarity | NPC20192 |
0.6952 | Remote Similarity | NPC23497 |
0.6932 | Remote Similarity | NPC473536 |
0.6923 | Remote Similarity | NPC139056 |
0.6923 | Remote Similarity | NPC199107 |
0.6923 | Remote Similarity | NPC232969 |
0.6916 | Remote Similarity | NPC66108 |
0.6915 | Remote Similarity | NPC473248 |
0.6915 | Remote Similarity | NPC23622 |
0.6907 | Remote Similarity | NPC61275 |
0.6905 | Remote Similarity | NPC94488 |
0.6887 | Remote Similarity | NPC472508 |
0.6882 | Remote Similarity | NPC470177 |
0.6867 | Remote Similarity | NPC298249 |
0.6857 | Remote Similarity | NPC472507 |
0.6852 | Remote Similarity | NPC321496 |
0.6852 | Remote Similarity | NPC326264 |
0.6842 | Remote Similarity | NPC53454 |
0.6837 | Remote Similarity | NPC477241 |
0.6827 | Remote Similarity | NPC469852 |
0.6813 | Remote Similarity | NPC474353 |
0.6809 | Remote Similarity | NPC291712 |
0.6809 | Remote Similarity | NPC203795 |
0.6804 | Remote Similarity | NPC32552 |
0.6792 | Remote Similarity | NPC38154 |
0.6782 | Remote Similarity | NPC147438 |
0.6778 | Remote Similarity | NPC475681 |
0.6774 | Remote Similarity | NPC219966 |
0.6771 | Remote Similarity | NPC87306 |
0.6768 | Remote Similarity | NPC279313 |
0.6768 | Remote Similarity | NPC31021 |
0.6733 | Remote Similarity | NPC475284 |
0.6733 | Remote Similarity | NPC300584 |
0.6733 | Remote Similarity | NPC281608 |
0.6706 | Remote Similarity | NPC474060 |
0.6702 | Remote Similarity | NPC263997 |
0.6702 | Remote Similarity | NPC132228 |
0.6702 | Remote Similarity | NPC32037 |
0.6702 | Remote Similarity | NPC8518 |
0.6701 | Remote Similarity | NPC469464 |
0.6701 | Remote Similarity | NPC274075 |
0.6701 | Remote Similarity | NPC473455 |
0.67 | Remote Similarity | NPC472733 |
0.67 | Remote Similarity | NPC472734 |
0.6699 | Remote Similarity | NPC291500 |
0.6699 | Remote Similarity | NPC189609 |
0.6699 | Remote Similarity | NPC303653 |
0.6699 | Remote Similarity | NPC140591 |
0.6699 | Remote Similarity | NPC197835 |
0.6667 | Remote Similarity | NPC153570 |
0.6667 | Remote Similarity | NPC248624 |
0.6667 | Remote Similarity | NPC243272 |
0.6667 | Remote Similarity | NPC478122 |
0.6637 | Remote Similarity | NPC478051 |
0.6636 | Remote Similarity | NPC261330 |
0.6636 | Remote Similarity | NPC250018 |
0.6634 | Remote Similarity | NPC472732 |
0.6634 | Remote Similarity | NPC472731 |
0.6634 | Remote Similarity | NPC239895 |
0.6633 | Remote Similarity | NPC32944 |
0.6633 | Remote Similarity | NPC166110 |
0.6633 | Remote Similarity | NPC193396 |
0.6632 | Remote Similarity | NPC261721 |
0.663 | Remote Similarity | NPC275766 |
0.6604 | Remote Similarity | NPC469853 |
0.6602 | Remote Similarity | NPC224172 |
0.66 | Remote Similarity | NPC91408 |
0.66 | Remote Similarity | NPC273197 |
0.66 | Remote Similarity | NPC234339 |
0.6598 | Remote Similarity | NPC142159 |
0.6598 | Remote Similarity | NPC95364 |
0.6596 | Remote Similarity | NPC163615 |
0.6596 | Remote Similarity | NPC38569 |
0.6593 | Remote Similarity | NPC291260 |
0.6591 | Remote Similarity | NPC122244 |
0.6591 | Remote Similarity | NPC264178 |
0.6588 | Remote Similarity | NPC263382 |
0.6588 | Remote Similarity | NPC146376 |
0.6588 | Remote Similarity | NPC125578 |
0.6574 | Remote Similarity | NPC210005 |
0.6569 | Remote Similarity | NPC472729 |
0.6569 | Remote Similarity | NPC472730 |
0.6569 | Remote Similarity | NPC153776 |
0.6569 | Remote Similarity | NPC177680 |
0.6569 | Remote Similarity | NPC35717 |
0.6566 | Remote Similarity | NPC248193 |
0.6559 | Remote Similarity | NPC47450 |
0.6556 | Remote Similarity | NPC283087 |
0.6542 | Remote Similarity | NPC264819 |
0.6535 | Remote Similarity | NPC299396 |
0.6535 | Remote Similarity | NPC301596 |
0.6535 | Remote Similarity | NPC135576 |
0.6535 | Remote Similarity | NPC279722 |
0.6535 | Remote Similarity | NPC93271 |
0.6535 | Remote Similarity | NPC172998 |
0.6531 | Remote Similarity | NPC316228 |
0.6531 | Remote Similarity | NPC131864 |
0.6526 | Remote Similarity | NPC471223 |
0.6526 | Remote Similarity | NPC281172 |
0.6526 | Remote Similarity | NPC187529 |
0.6526 | Remote Similarity | NPC241512 |
0.6526 | Remote Similarity | NPC130030 |
0.6526 | Remote Similarity | NPC67081 |
0.6526 | Remote Similarity | NPC90287 |
0.6526 | Remote Similarity | NPC6185 |
0.6526 | Remote Similarity | NPC155873 |
0.6514 | Remote Similarity | NPC207689 |
0.6512 | Remote Similarity | NPC262673 |
0.6505 | Remote Similarity | NPC472727 |
0.6505 | Remote Similarity | NPC104861 |
0.6505 | Remote Similarity | NPC472728 |
0.6495 | Remote Similarity | NPC476708 |
0.6489 | Remote Similarity | NPC475083 |
0.6486 | Remote Similarity | NPC247069 |
0.6481 | Remote Similarity | NPC471400 |
0.6476 | Remote Similarity | NPC131366 |
0.6476 | Remote Similarity | NPC271059 |
0.6476 | Remote Similarity | NPC25666 |
0.6471 | Remote Similarity | NPC20066 |
0.6471 | Remote Similarity | NPC273269 |
0.6471 | Remote Similarity | NPC473574 |
0.6471 | Remote Similarity | NPC471916 |
0.6471 | Remote Similarity | NPC27105 |
0.6471 | Remote Similarity | NPC20078 |
0.6465 | Remote Similarity | NPC472705 |
0.6465 | Remote Similarity | NPC303230 |
0.6465 | Remote Similarity | NPC6099 |
0.6465 | Remote Similarity | NPC327760 |
0.6465 | Remote Similarity | NPC114345 |
0.6458 | Remote Similarity | NPC278283 |
0.6452 | Remote Similarity | NPC67254 |
0.6452 | Remote Similarity | NPC99308 |
0.6444 | Remote Similarity | NPC110725 |
0.6442 | Remote Similarity | NPC146822 |
0.6442 | Remote Similarity | NPC181645 |
0.6442 | Remote Similarity | NPC207885 |
0.6442 | Remote Similarity | NPC112613 |
0.6437 | Remote Similarity | NPC107848 |
0.6437 | Remote Similarity | NPC94743 |
0.6437 | Remote Similarity | NPC291062 |
0.6436 | Remote Similarity | NPC12727 |
0.6436 | Remote Similarity | NPC295347 |
0.6436 | Remote Similarity | NPC214694 |
0.6429 | Remote Similarity | NPC280833 |
0.6429 | Remote Similarity | NPC118193 |
0.6429 | Remote Similarity | NPC256902 |
0.6422 | Remote Similarity | NPC99760 |
0.6422 | Remote Similarity | NPC321556 |
0.6421 | Remote Similarity | NPC469809 |
0.6421 | Remote Similarity | NPC32676 |
0.6415 | Remote Similarity | NPC272528 |
0.6415 | Remote Similarity | NPC40170 |
0.6413 | Remote Similarity | NPC19900 |
0.6413 | Remote Similarity | NPC27817 |
0.6408 | Remote Similarity | NPC166770 |
0.6408 | Remote Similarity | NPC472687 |
0.6408 | Remote Similarity | NPC471331 |
0.6408 | Remote Similarity | NPC99657 |
0.6408 | Remote Similarity | NPC203388 |
0.6408 | Remote Similarity | NPC471330 |
0.6404 | Remote Similarity | NPC259599 |
0.6404 | Remote Similarity | NPC294434 |
0.6404 | Remote Similarity | NPC15499 |
0.6404 | Remote Similarity | NPC117746 |
0.64 | Remote Similarity | NPC282644 |
0.64 | Remote Similarity | NPC29798 |
0.6392 | Remote Similarity | NPC38885 |
0.6392 | Remote Similarity | NPC471739 |
0.6392 | Remote Similarity | NPC476079 |
0.6392 | Remote Similarity | NPC241054 |
0.6392 | Remote Similarity | NPC142583 |
0.6392 | Remote Similarity | NPC103743 |
0.6392 | Remote Similarity | NPC472007 |
0.6392 | Remote Similarity | NPC113370 |
0.6389 | Remote Similarity | NPC327106 |
0.6383 | Remote Similarity | NPC38796 |
0.6383 | Remote Similarity | NPC158411 |
0.6383 | Remote Similarity | NPC103486 |
0.6381 | Remote Similarity | NPC163249 |
0.6381 | Remote Similarity | NPC474747 |
0.6381 | Remote Similarity | NPC478176 |
0.6381 | Remote Similarity | NPC235369 |
0.6374 | Remote Similarity | NPC473825 |
0.6374 | Remote Similarity | NPC97173 |
0.6374 | Remote Similarity | NPC82666 |
0.6373 | Remote Similarity | NPC94337 |
0.6373 | Remote Similarity | NPC272411 |
0.6373 | Remote Similarity | NPC473291 |
0.6372 | Remote Similarity | NPC471145 |
0.6364 | Remote Similarity | NPC475823 |
0.6364 | Remote Similarity | NPC474209 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC469884 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 |
---|---|---|---|
0.7222 | Intermediate Similarity | NPD6110 | Phase 1 |
0.701 | Intermediate Similarity | NPD5282 | Discontinued |
0.6374 | Remote Similarity | NPD4756 | Discovery |
0.6353 | Remote Similarity | NPD3704 | Approved |
0.6344 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.6289 | Remote Similarity | NPD5279 | Phase 3 |
0.6263 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6263 | Remote Similarity | NPD6101 | Approved |
0.6238 | Remote Similarity | NPD5779 | Approved |
0.6238 | Remote Similarity | NPD5778 | Approved |
0.619 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6186 | Remote Similarity | NPD1696 | Phase 3 |
0.617 | Remote Similarity | NPD4695 | Discontinued |
0.6139 | Remote Similarity | NPD6411 | Approved |
0.6117 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6042 | Remote Similarity | NPD5209 | Approved |
0.5977 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5976 | Remote Similarity | NPD8779 | Phase 3 |
0.5962 | Remote Similarity | NPD5695 | Phase 3 |
0.5943 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5941 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5929 | Remote Similarity | NPD6649 | Approved |
0.5929 | Remote Similarity | NPD6650 | Approved |
0.5922 | Remote Similarity | NPD6399 | Phase 3 |
0.5905 | Remote Similarity | NPD4697 | Phase 3 |
0.5893 | Remote Similarity | NPD6373 | Approved |
0.5893 | Remote Similarity | NPD6372 | Approved |
0.5876 | Remote Similarity | NPD4800 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD5363 | Approved |
0.5856 | Remote Similarity | NPD5697 | Approved |
0.5856 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5825 | Remote Similarity | NPD7983 | Approved |
0.5825 | Remote Similarity | NPD7637 | Suspended |
0.5804 | Remote Similarity | NPD6881 | Approved |
0.5804 | Remote Similarity | NPD6011 | Approved |
0.5804 | Remote Similarity | NPD6899 | Approved |
0.58 | Remote Similarity | NPD4249 | Approved |
0.58 | Remote Similarity | NPD4694 | Approved |
0.58 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD5786 | Approved |
0.58 | Remote Similarity | NPD5280 | Approved |
0.5798 | Remote Similarity | NPD6319 | Approved |
0.5798 | Remote Similarity | NPD6054 | Approved |
0.5794 | Remote Similarity | NPD5696 | Approved |
0.5789 | Remote Similarity | NPD7601 | Clinical (unspecified phase) |
0.5773 | Remote Similarity | NPD5369 | Approved |
0.5766 | Remote Similarity | NPD5739 | Approved |
0.5766 | Remote Similarity | NPD7128 | Approved |
0.5766 | Remote Similarity | NPD6402 | Approved |
0.5766 | Remote Similarity | NPD6675 | Approved |
0.5755 | Remote Similarity | NPD5222 | Approved |
0.5755 | Remote Similarity | NPD5221 | Approved |
0.5755 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD6014 | Approved |
0.5752 | Remote Similarity | NPD6012 | Approved |
0.5752 | Remote Similarity | NPD6013 | Approved |
0.575 | Remote Similarity | NPD6016 | Approved |
0.575 | Remote Similarity | NPD6015 | Approved |
0.5743 | Remote Similarity | NPD4250 | Approved |
0.5743 | Remote Similarity | NPD4251 | Approved |
0.5741 | Remote Similarity | NPD5286 | Approved |
0.5741 | Remote Similarity | NPD4696 | Approved |
0.5741 | Remote Similarity | NPD5285 | Approved |
0.5728 | Remote Similarity | NPD5692 | Phase 3 |
0.5728 | Remote Similarity | NPD5785 | Approved |
0.5714 | Remote Similarity | NPD5701 | Approved |
0.5714 | Remote Similarity | NPD7260 | Phase 2 |
0.5702 | Remote Similarity | NPD6883 | Approved |
0.5702 | Remote Similarity | NPD4634 | Approved |
0.5702 | Remote Similarity | NPD5988 | Approved |
0.5702 | Remote Similarity | NPD6370 | Approved |
0.5702 | Remote Similarity | NPD7290 | Approved |
0.5702 | Remote Similarity | NPD7102 | Approved |
0.5701 | Remote Similarity | NPD6083 | Phase 2 |
0.5701 | Remote Similarity | NPD7902 | Approved |
0.5701 | Remote Similarity | NPD6084 | Phase 2 |
0.5701 | Remote Similarity | NPD4755 | Approved |
0.5701 | Remote Similarity | NPD5173 | Approved |
0.57 | Remote Similarity | NPD1694 | Approved |
0.5688 | Remote Similarity | NPD5223 | Approved |
0.5686 | Remote Similarity | NPD5737 | Approved |
0.5686 | Remote Similarity | NPD6672 | Approved |
0.5673 | Remote Similarity | NPD6050 | Approved |
0.5673 | Remote Similarity | NPD5281 | Approved |
0.5673 | Remote Similarity | NPD5284 | Approved |
0.5673 | Remote Similarity | NPD5694 | Approved |
0.567 | Remote Similarity | NPD4252 | Approved |
0.5667 | Remote Similarity | NPD6059 | Approved |
0.5664 | Remote Similarity | NPD7320 | Approved |
0.566 | Remote Similarity | NPD4629 | Approved |
0.566 | Remote Similarity | NPD5210 | Approved |
0.5652 | Remote Similarity | NPD6869 | Approved |
0.5652 | Remote Similarity | NPD6847 | Approved |
0.5652 | Remote Similarity | NPD6617 | Approved |
0.5652 | Remote Similarity | NPD8130 | Phase 1 |
0.5648 | Remote Similarity | NPD4225 | Approved |
0.5644 | Remote Similarity | NPD5690 | Phase 2 |
0.5644 | Remote Similarity | NPD3618 | Phase 1 |
0.5636 | Remote Similarity | NPD5226 | Approved |
0.5636 | Remote Similarity | NPD5224 | Approved |
0.5636 | Remote Similarity | NPD5225 | Approved |
0.5636 | Remote Similarity | NPD4633 | Approved |
0.5636 | Remote Similarity | NPD5211 | Phase 2 |
0.5631 | Remote Similarity | NPD4753 | Phase 2 |
0.5625 | Remote Similarity | NPD3617 | Approved |
0.5618 | Remote Similarity | NPD7331 | Phase 2 |
0.561 | Remote Similarity | NPD7492 | Approved |
0.5603 | Remote Similarity | NPD8297 | Approved |
0.5603 | Remote Similarity | NPD6882 | Approved |
0.5603 | Remote Similarity | NPD6053 | Discontinued |
0.56 | Remote Similarity | NPD3666 | Approved |
0.56 | Remote Similarity | NPD3133 | Approved |
0.56 | Remote Similarity | NPD3665 | Phase 1 |
PubChem CID   | 49866312 |
ChEMBL   | CHEMBL1224815 |
ZINC   |
Molecular Weight:   | 276.10 |
ALogP:   | -0.8688 |
MLogP:   | 2.56 |
XLogP:   | -0.045 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 72.83 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 20 |