Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO30150 | Psoralea corylifolia | Species | Fabaceae | Eukaryota | Seeds |
PMID[18359631] |
||
NPO30150 | Psoralea corylifolia | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO28809 | Cullen corylifolium | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO18535 | Psoralea drupacea | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO26610 | Spiraea formosana | Species | Rosaceae | Eukaryota | TCMID* | |||
NPO28809 | Cullen corylifolium | Species | Fabaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 19000 | nM | 11720856 |
NPT729 | Organism | Micrococcus luteus | Micrococcus luteus | MIC | = | 10000 | nM | 11720856 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 780000 | nM | 11720856 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | > | 780000 | nM | 11720856 |
NPT2 | Others | Unspecified | Inhibition | = | -14 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -27 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -18 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -21 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -39 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -32 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -19 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -45 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -100 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -26 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -99 | % | 18063371 | |
NPT2 | Others | Unspecified | Inhibition | = | -42 | % | 18063371 | |
NPT2 | Others | Unspecified | IC50 | = | 6100 | nM | 18359631 | |
NPT196 | Cell Line | AGS | Homo sapiens | IC50 | = | 15300 | nM | 18359631 |
NPT2 | Others | Unspecified | IC50 | = | 6900 | nM | 18359631 | |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 11000 | nM | 18359631 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | < | 30 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | < | 20 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 81 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 84 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 91 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 0 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 43 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 28 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 92 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 79 | % | 3069957 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | Inhibition | = | 75 | % | 3069957 |
NPT1484 | Organism | Fusobacterium nucleatum | Fusobacterium nucleatum | MIC | = | 32 | ug/ml | 20427099 |
NPT1172 | Organism | Streptococcus sanguinis | Streptococcus sanguinis | MBC | = | 2 | ug/ml | 20427099 |
NPT1172 | Organism | Streptococcus sanguinis | Streptococcus sanguinis | MIC | = | 1 | ug/ml | 20427099 |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | MBC | = | 2 | ug/ml | 20427099 |
NPT1129 | Organism | Actinomyces viscosus | Actinomyces viscosus | MIC | = | 1 | ug/ml | 20427099 |
NPT1129 | Organism | Actinomyces viscosus | Actinomyces viscosus | MBC | = | 2 | ug/ml | 20427099 |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | MIC | = | 1 | ug/ml | 20427099 |
NPT1484 | Organism | Fusobacterium nucleatum | Fusobacterium nucleatum | MBC | = | 64 | ug/ml | 20427099 |
NPT1128 | Organism | Prevotella intermedia | Prevotella intermedia | MIC | = | 1 | ug/ml | 20427099 |
NPT1128 | Organism | Prevotella intermedia | Prevotella intermedia | MBC | = | 2 | ug/ml | 20427099 |
NPT1127 | Organism | Porphyromonas gingivalis | Porphyromonas gingivalis | MIC | = | 1 | ug/ml | 20427099 |
NPT1127 | Organism | Porphyromonas gingivalis | Porphyromonas gingivalis | MBC | = | 1 | ug/ml | 20427099 |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | Activity | > | 80 | % | 20427099 |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI | = | 66 | % | 22245048 |
NPT744 | Cell Line | IMR-32 | Homo sapiens | GI | = | 58 | % | 22245048 |
NPT165 | Cell Line | HeLa | Homo sapiens | GI | = | 55 | % | 22245048 |
NPT1970 | Cell Line | THP-1 | Homo sapiens | GI | = | 74 | % | 22245048 |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI | = | 33 | % | 22245048 |
NPT81 | Cell Line | A549 | Homo sapiens | GI | = | 30 | % | 22245048 |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI | = | 21 | % | 22245048 |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI | = | 25 | % | 22245048 |
NPT744 | Cell Line | IMR-32 | Homo sapiens | GI | = | 31 | % | 22245048 |
NPT165 | Cell Line | HeLa | Homo sapiens | GI | = | 20 | % | 22245048 |
NPT1970 | Cell Line | THP-1 | Homo sapiens | GI | = | 44 | % | 22245048 |
NPT1171 | Cell Line | HEp-2 | Homo sapiens | GI | = | 53 | % | 22245048 |
NPT1171 | Cell Line | HEp-2 | Homo sapiens | GI | = | 20 | % | 22245048 |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 8290000 | nM | 22245048 |
NPT396 | Cell Line | T47D | Homo sapiens | IC50 | = | 28900 | nM | 22245048 |
NPT81 | Cell Line | A549 | Homo sapiens | GI | = | 63 | % | 22245048 |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI | = | 63 | % | 22245048 |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI | = | 58 | % | 22245048 |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 18535.32 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 17258.38 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 10592.54 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 16710.91 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 16519.62 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 17660.38 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 14125.38 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 13182.57 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 16032.45 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 15703.63 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 21232.44 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 18281 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 13091.82 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 16180.8 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 19054.61 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 16943.38 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 16943.38 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 19186.69 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 18620.87 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 19054.61 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 16481.62 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 17060.82 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 16982.44 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 17139.57 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 19142.56 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 14927.94 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 13995.87 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 18238.96 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 22029.26 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 20558.91 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 17823.79 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 13963.68 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 18113.4 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 16826.74 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 16788.04 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 19543.39 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 16255.49 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 15595.53 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 14028.14 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 18578.04 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 20183.66 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 18197.01 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 15812.48 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 20941.12 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 17660.38 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 14757.07 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 16481.62 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 18967.06 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 19952.62 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 17660.38 | nM | PubChem BioAssay data set | |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | -7.92 | % | 23062825 |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | 13.38 | % | 23062825 |
NPT2 | Others | Unspecified | EC50 | = | 15286.6 | nM | 26922230 | |
NPT65 | Cell Line | HepG2 | Homo sapiens | EC50 | > | 52083.3 | nM | 26922230 |
NPT80 | Cell Line | Raji | Homo sapiens | EC50 | > | 26041.7 | nM | 26922230 |
NPT15 | Cell Line | Jurkat | Homo sapiens | EC50 | > | 49019.6 | nM | 26922230 |
NPT1160 | Cell Line | BJ | Homo sapiens | EC50 | > | 36630 | nM | 26922230 |
NPT71 | Cell Line | HEK293 | Homo sapiens | EC50 | > | 36630 | nM | 26922230 |
NPT2 | Others | Unspecified | EC50 | = | 38000 | nM | 26922230 |
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 NPC98772 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 |
---|---|---|
0.9767 | High Similarity | NPC270547 |
0.9762 | High Similarity | NPC184169 |
0.9535 | High Similarity | NPC280347 |
0.9535 | High Similarity | NPC177420 |
0.9524 | High Similarity | NPC248817 |
0.9425 | High Similarity | NPC55561 |
0.9419 | High Similarity | NPC113460 |
0.9419 | High Similarity | NPC25493 |
0.9412 | High Similarity | NPC197783 |
0.9405 | High Similarity | NPC265146 |
0.9405 | High Similarity | NPC124436 |
0.9326 | High Similarity | NPC27323 |
0.9326 | High Similarity | NPC316301 |
0.9318 | High Similarity | NPC155908 |
0.931 | High Similarity | NPC242240 |
0.931 | High Similarity | NPC123273 |
0.931 | High Similarity | NPC318325 |
0.9302 | High Similarity | NPC23167 |
0.9294 | High Similarity | NPC175313 |
0.9091 | High Similarity | NPC258219 |
0.9032 | High Similarity | NPC225506 |
0.9022 | High Similarity | NPC225464 |
0.9011 | High Similarity | NPC26244 |
0.8977 | High Similarity | NPC104216 |
0.8936 | High Similarity | NPC471578 |
0.8936 | High Similarity | NPC101025 |
0.8936 | High Similarity | NPC472585 |
0.8925 | High Similarity | NPC252821 |
0.8925 | High Similarity | NPC122005 |
0.8925 | High Similarity | NPC92730 |
0.8913 | High Similarity | NPC473388 |
0.8901 | High Similarity | NPC151715 |
0.8901 | High Similarity | NPC152415 |
0.8889 | High Similarity | NPC304541 |
0.8889 | High Similarity | NPC204210 |
0.8889 | High Similarity | NPC306074 |
0.8864 | High Similarity | NPC307235 |
0.8864 | High Similarity | NPC407 |
0.8851 | High Similarity | NPC286904 |
0.8851 | High Similarity | NPC150837 |
0.8842 | High Similarity | NPC62351 |
0.8804 | High Similarity | NPC144682 |
0.8791 | High Similarity | NPC181709 |
0.8791 | High Similarity | NPC210497 |
0.8791 | High Similarity | NPC162314 |
0.8791 | High Similarity | NPC94139 |
0.8791 | High Similarity | NPC3358 |
0.8791 | High Similarity | NPC147284 |
0.8791 | High Similarity | NPC306884 |
0.8791 | High Similarity | NPC55903 |
0.8791 | High Similarity | NPC138117 |
0.8791 | High Similarity | NPC325292 |
0.8778 | High Similarity | NPC300017 |
0.8778 | High Similarity | NPC192 |
0.8764 | High Similarity | NPC27974 |
0.875 | High Similarity | NPC155393 |
0.871 | High Similarity | NPC132271 |
0.871 | High Similarity | NPC292730 |
0.871 | High Similarity | NPC82664 |
0.871 | High Similarity | NPC216520 |
0.8696 | High Similarity | NPC289769 |
0.8681 | High Similarity | NPC45040 |
0.8667 | High Similarity | NPC70436 |
0.8632 | High Similarity | NPC211885 |
0.8617 | High Similarity | NPC77492 |
0.8617 | High Similarity | NPC201967 |
0.8602 | High Similarity | NPC222146 |
0.8602 | High Similarity | NPC313650 |
0.8602 | High Similarity | NPC8392 |
0.8571 | High Similarity | NPC300478 |
0.8571 | High Similarity | NPC477814 |
0.8556 | High Similarity | NPC19680 |
0.8542 | High Similarity | NPC252105 |
0.8526 | High Similarity | NPC78119 |
0.8526 | High Similarity | NPC130193 |
0.8526 | High Similarity | NPC128723 |
0.8526 | High Similarity | NPC132078 |
0.8526 | High Similarity | NPC216468 |
0.8526 | High Similarity | NPC299762 |
0.8526 | High Similarity | NPC33675 |
0.8526 | High Similarity | NPC51333 |
0.8495 | Intermediate Similarity | NPC76938 |
0.8495 | Intermediate Similarity | NPC81010 |
0.8495 | Intermediate Similarity | NPC32977 |
0.8495 | Intermediate Similarity | NPC471581 |
0.8495 | Intermediate Similarity | NPC128062 |
0.8478 | Intermediate Similarity | NPC231150 |
0.8454 | Intermediate Similarity | NPC196479 |
0.8438 | Intermediate Similarity | NPC213730 |
0.8421 | Intermediate Similarity | NPC152097 |
0.8421 | Intermediate Similarity | NPC260000 |
0.8421 | Intermediate Similarity | NPC475078 |
0.8404 | Intermediate Similarity | NPC274678 |
0.8404 | Intermediate Similarity | NPC286006 |
0.8404 | Intermediate Similarity | NPC32714 |
0.8404 | Intermediate Similarity | NPC107522 |
0.837 | Intermediate Similarity | NPC151764 |
0.8367 | Intermediate Similarity | NPC120719 |
0.8351 | Intermediate Similarity | NPC40258 |
0.8351 | Intermediate Similarity | NPC7686 |
0.8351 | Intermediate Similarity | NPC91461 |
0.8333 | Intermediate Similarity | NPC80027 |
0.8333 | Intermediate Similarity | NPC171843 |
0.8333 | Intermediate Similarity | NPC280869 |
0.8333 | Intermediate Similarity | NPC260775 |
0.8316 | Intermediate Similarity | NPC202986 |
0.8298 | Intermediate Similarity | NPC245187 |
0.8283 | Intermediate Similarity | NPC233396 |
0.8283 | Intermediate Similarity | NPC99557 |
0.8283 | Intermediate Similarity | NPC219286 |
0.8283 | Intermediate Similarity | NPC154899 |
0.8283 | Intermediate Similarity | NPC47284 |
0.8283 | Intermediate Similarity | NPC138942 |
0.8265 | Intermediate Similarity | NPC168829 |
0.8265 | Intermediate Similarity | NPC68269 |
0.8247 | Intermediate Similarity | NPC155847 |
0.8247 | Intermediate Similarity | NPC130756 |
0.8247 | Intermediate Similarity | NPC12931 |
0.8247 | Intermediate Similarity | NPC129373 |
0.8247 | Intermediate Similarity | NPC48730 |
0.8247 | Intermediate Similarity | NPC166761 |
0.8247 | Intermediate Similarity | NPC253746 |
0.8247 | Intermediate Similarity | NPC248396 |
0.8247 | Intermediate Similarity | NPC70677 |
0.8247 | Intermediate Similarity | NPC289381 |
0.8235 | Intermediate Similarity | NPC13482 |
0.8235 | Intermediate Similarity | NPC222905 |
0.8229 | Intermediate Similarity | NPC6597 |
0.8229 | Intermediate Similarity | NPC32674 |
0.8229 | Intermediate Similarity | NPC474073 |
0.8229 | Intermediate Similarity | NPC79241 |
0.8229 | Intermediate Similarity | NPC109955 |
0.8229 | Intermediate Similarity | NPC107619 |
0.8218 | Intermediate Similarity | NPC470039 |
0.82 | Intermediate Similarity | NPC53740 |
0.82 | Intermediate Similarity | NPC135464 |
0.82 | Intermediate Similarity | NPC92623 |
0.82 | Intermediate Similarity | NPC113457 |
0.82 | Intermediate Similarity | NPC231705 |
0.82 | Intermediate Similarity | NPC271274 |
0.82 | Intermediate Similarity | NPC155072 |
0.8191 | Intermediate Similarity | NPC29373 |
0.8191 | Intermediate Similarity | NPC271440 |
0.8182 | Intermediate Similarity | NPC288411 |
0.8182 | Intermediate Similarity | NPC8931 |
0.8182 | Intermediate Similarity | NPC261573 |
0.8182 | Intermediate Similarity | NPC120693 |
0.8172 | Intermediate Similarity | NPC47950 |
0.8172 | Intermediate Similarity | NPC312304 |
0.8163 | Intermediate Similarity | NPC80800 |
0.8155 | Intermediate Similarity | NPC322753 |
0.8155 | Intermediate Similarity | NPC139946 |
0.8144 | Intermediate Similarity | NPC131587 |
0.8144 | Intermediate Similarity | NPC275104 |
0.8144 | Intermediate Similarity | NPC125732 |
0.8144 | Intermediate Similarity | NPC245561 |
0.8144 | Intermediate Similarity | NPC471576 |
0.8125 | Intermediate Similarity | NPC312132 |
0.8125 | Intermediate Similarity | NPC259512 |
0.8119 | Intermediate Similarity | NPC320439 |
0.8119 | Intermediate Similarity | NPC142297 |
0.81 | Intermediate Similarity | NPC303141 |
0.81 | Intermediate Similarity | NPC243677 |
0.81 | Intermediate Similarity | NPC474839 |
0.8095 | Intermediate Similarity | NPC100980 |
0.8081 | Intermediate Similarity | NPC249828 |
0.8081 | Intermediate Similarity | NPC135784 |
0.8081 | Intermediate Similarity | NPC108497 |
0.8081 | Intermediate Similarity | NPC313030 |
0.8081 | Intermediate Similarity | NPC71002 |
0.8081 | Intermediate Similarity | NPC85479 |
0.8081 | Intermediate Similarity | NPC304638 |
0.8081 | Intermediate Similarity | NPC106396 |
0.8081 | Intermediate Similarity | NPC269212 |
0.8081 | Intermediate Similarity | NPC242342 |
0.8081 | Intermediate Similarity | NPC146798 |
0.8081 | Intermediate Similarity | NPC178902 |
0.8081 | Intermediate Similarity | NPC302219 |
0.8081 | Intermediate Similarity | NPC53051 |
0.8081 | Intermediate Similarity | NPC222522 |
0.8081 | Intermediate Similarity | NPC24404 |
0.8081 | Intermediate Similarity | NPC192596 |
0.8081 | Intermediate Similarity | NPC94351 |
0.8081 | Intermediate Similarity | NPC168303 |
0.8077 | Intermediate Similarity | NPC250323 |
0.8077 | Intermediate Similarity | NPC228425 |
0.8065 | Intermediate Similarity | NPC259134 |
0.8065 | Intermediate Similarity | NPC177844 |
0.8065 | Intermediate Similarity | NPC99886 |
0.8065 | Intermediate Similarity | NPC8002 |
0.8061 | Intermediate Similarity | NPC223393 |
0.8061 | Intermediate Similarity | NPC52472 |
0.8061 | Intermediate Similarity | NPC161571 |
0.8061 | Intermediate Similarity | NPC294741 |
0.8061 | Intermediate Similarity | NPC248573 |
0.8061 | Intermediate Similarity | NPC275053 |
0.8061 | Intermediate Similarity | NPC72729 |
0.8061 | Intermediate Similarity | NPC10588 |
0.8058 | Intermediate Similarity | NPC141782 |
0.8039 | Intermediate Similarity | NPC317305 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC98772 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 |
---|---|---|---|
0.9405 | High Similarity | NPD111 | Approved |
0.9326 | High Similarity | NPD1432 | Clinical (unspecified phase) |
0.9111 | High Similarity | NPD2934 | Approved |
0.9111 | High Similarity | NPD2933 | Approved |
0.9011 | High Similarity | NPD2860 | Approved |
0.9011 | High Similarity | NPD2859 | Approved |
0.8804 | High Similarity | NPD1809 | Phase 2 |
0.8723 | High Similarity | NPD3020 | Approved |
0.8404 | Intermediate Similarity | NPD844 | Approved |
0.8387 | Intermediate Similarity | NPD845 | Approved |
0.8351 | Intermediate Similarity | NPD846 | Approved |
0.8351 | Intermediate Similarity | NPD940 | Approved |
0.8247 | Intermediate Similarity | NPD289 | Clinical (unspecified phase) |
0.8125 | Intermediate Similarity | NPD288 | Approved |
0.8095 | Intermediate Similarity | NPD9087 | Approved |
0.8061 | Intermediate Similarity | NPD1242 | Phase 1 |
0.8 | Intermediate Similarity | NPD9610 | Approved |
0.8 | Intermediate Similarity | NPD9608 | Approved |
0.7961 | Intermediate Similarity | NPD3022 | Approved |
0.7961 | Intermediate Similarity | NPD3021 | Approved |
0.7879 | Intermediate Similarity | NPD3028 | Approved |
0.781 | Intermediate Similarity | NPD6124 | Clinical (unspecified phase) |
0.7727 | Intermediate Similarity | NPD9088 | Approved |
0.767 | Intermediate Similarity | NPD1444 | Approved |
0.767 | Intermediate Similarity | NPD1445 | Approved |
0.7664 | Intermediate Similarity | NPD2229 | Approved |
0.7664 | Intermediate Similarity | NPD2234 | Approved |
0.7664 | Intermediate Similarity | NPD7159 | Clinical (unspecified phase) |
0.7664 | Intermediate Similarity | NPD2228 | Approved |
0.7636 | Intermediate Similarity | NPD3091 | Approved |
0.7614 | Intermediate Similarity | NPD9294 | Approved |
0.7549 | Intermediate Similarity | NPD9500 | Approved |
0.7524 | Intermediate Similarity | NPD2684 | Approved |
0.75 | Intermediate Similarity | NPD9273 | Approved |
0.75 | Intermediate Similarity | NPD4589 | Approved |
0.75 | Intermediate Similarity | NPD3019 | Approved |
0.75 | Intermediate Similarity | NPD4059 | Approved |
0.75 | Intermediate Similarity | NPD2932 | Approved |
0.7477 | Intermediate Similarity | NPD228 | Approved |
0.7453 | Intermediate Similarity | NPD1792 | Phase 2 |
0.7453 | Intermediate Similarity | NPD4750 | Phase 3 |
0.7453 | Intermediate Similarity | NPD9380 | Clinical (unspecified phase) |
0.7431 | Intermediate Similarity | NPD1791 | Approved |
0.7431 | Intermediate Similarity | NPD1793 | Approved |
0.7391 | Intermediate Similarity | NPD9089 | Approved |
0.7368 | Intermediate Similarity | NPD3092 | Approved |
0.7364 | Intermediate Similarity | NPD7157 | Approved |
0.7345 | Intermediate Similarity | NPD1751 | Approved |
0.7333 | Intermediate Similarity | NPD968 | Approved |
0.7333 | Intermediate Similarity | NPD3134 | Approved |
0.7321 | Intermediate Similarity | NPD5304 | Approved |
0.7321 | Intermediate Similarity | NPD5303 | Approved |
0.7283 | Intermediate Similarity | NPD9093 | Approved |
0.7264 | Intermediate Similarity | NPD9265 | Clinical (unspecified phase) |
0.7264 | Intermediate Similarity | NPD2342 | Discontinued |
0.7257 | Intermediate Similarity | NPD4196 | Clinical (unspecified phase) |
0.7257 | Intermediate Similarity | NPD1357 | Approved |
0.7257 | Intermediate Similarity | NPD4235 | Clinical (unspecified phase) |
0.7257 | Intermediate Similarity | NPD4093 | Discontinued |
0.7248 | Intermediate Similarity | NPD7843 | Approved |
0.7248 | Intermediate Similarity | NPD821 | Approved |
0.7248 | Intermediate Similarity | NPD7635 | Approved |
0.7248 | Intermediate Similarity | NPD9379 | Approved |
0.7248 | Intermediate Similarity | NPD9377 | Approved |
0.7232 | Intermediate Similarity | NPD16 | Approved |
0.7232 | Intermediate Similarity | NPD856 | Approved |
0.7216 | Intermediate Similarity | NPD9295 | Approved |
0.7207 | Intermediate Similarity | NPD255 | Approved |
0.7207 | Intermediate Similarity | NPD6671 | Approved |
0.7207 | Intermediate Similarity | NPD256 | Approved |
0.7193 | Intermediate Similarity | NPD5238 | Clinical (unspecified phase) |
0.7193 | Intermediate Similarity | NPD3095 | Discontinued |
0.7158 | Intermediate Similarity | NPD9073 | Approved |
0.713 | Intermediate Similarity | NPD3421 | Phase 3 |
0.713 | Intermediate Similarity | NPD2688 | Clinical (unspecified phase) |
0.713 | Intermediate Similarity | NPD3143 | Discontinued |
0.713 | Intermediate Similarity | NPD5451 | Approved |
0.7119 | Intermediate Similarity | NPD3094 | Phase 2 |
0.7103 | Intermediate Similarity | NPD1358 | Approved |
0.7103 | Intermediate Similarity | NPD290 | Approved |
0.708 | Intermediate Similarity | NPD317 | Approved |
0.708 | Intermediate Similarity | NPD318 | Approved |
0.7069 | Intermediate Similarity | NPD5350 | Clinical (unspecified phase) |
0.7069 | Intermediate Similarity | NPD5351 | Clinical (unspecified phase) |
0.7064 | Intermediate Similarity | NPD9280 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD2195 | Approved |
0.7059 | Intermediate Similarity | NPD2194 | Approved |
0.7018 | Intermediate Similarity | NPD2226 | Clinical (unspecified phase) |
0.7018 | Intermediate Similarity | NPD7330 | Discontinued |
0.7018 | Intermediate Similarity | NPD9545 | Approved |
0.7009 | Intermediate Similarity | NPD2561 | Approved |
0.7009 | Intermediate Similarity | NPD3070 | Discontinued |
0.7009 | Intermediate Similarity | NPD2562 | Approved |
0.7 | Intermediate Similarity | NPD5736 | Approved |
0.7 | Intermediate Similarity | NPD3637 | Approved |
0.7 | Intermediate Similarity | NPD3635 | Approved |
0.7 | Intermediate Similarity | NPD3636 | Approved |
0.6991 | Remote Similarity | NPD9568 | Approved |
0.6964 | Remote Similarity | NPD475 | Phase 2 |
0.6964 | Remote Similarity | NPD9618 | Approved |
0.6964 | Remote Similarity | NPD9614 | Approved |
0.6949 | Remote Similarity | NPD4659 | Approved |
0.6949 | Remote Similarity | NPD3600 | Clinical (unspecified phase) |
0.6949 | Remote Similarity | NPD4379 | Clinical (unspecified phase) |
0.6949 | Remote Similarity | NPD6583 | Phase 3 |
0.6949 | Remote Similarity | NPD6582 | Phase 2 |
0.6942 | Remote Similarity | NPD2606 | Approved |
0.6942 | Remote Similarity | NPD2605 | Approved |
0.6939 | Remote Similarity | NPD9094 | Approved |
0.6937 | Remote Similarity | NPD5535 | Approved |
0.6897 | Remote Similarity | NPD2667 | Approved |
0.6897 | Remote Similarity | NPD2668 | Approved |
0.6897 | Remote Similarity | NPD2286 | Discontinued |
0.6897 | Remote Similarity | NPD4626 | Approved |
0.6885 | Remote Similarity | NPD5156 | Approved |
0.6885 | Remote Similarity | NPD5155 | Approved |
0.6881 | Remote Similarity | NPD74 | Approved |
0.6881 | Remote Similarity | NPD9266 | Approved |
0.6875 | Remote Similarity | NPD5283 | Phase 1 |
0.687 | Remote Similarity | NPD1548 | Phase 1 |
0.6863 | Remote Similarity | NPD9296 | Approved |
0.6842 | Remote Similarity | NPD9493 | Approved |
0.6842 | Remote Similarity | NPD7636 | Approved |
0.6838 | Remote Similarity | NPD3023 | Approved |
0.6838 | Remote Similarity | NPD3847 | Discontinued |
0.6838 | Remote Similarity | NPD3026 | Approved |
0.6833 | Remote Similarity | NPD3053 | Approved |
0.6833 | Remote Similarity | NPD4103 | Phase 2 |
0.6833 | Remote Similarity | NPD4339 | Clinical (unspecified phase) |
0.6833 | Remote Similarity | NPD3055 | Approved |
0.6833 | Remote Similarity | NPD4104 | Clinical (unspecified phase) |
0.6822 | Remote Similarity | NPD9244 | Approved |
0.6814 | Remote Similarity | NPD1476 | Clinical (unspecified phase) |
0.681 | Remote Similarity | NPD3024 | Approved |
0.681 | Remote Similarity | NPD3025 | Approved |
0.6807 | Remote Similarity | NPD1755 | Approved |
0.6803 | Remote Similarity | NPD3595 | Approved |
0.6803 | Remote Similarity | NPD3594 | Approved |
0.6792 | Remote Similarity | NPD4817 | Approved |
0.6792 | Remote Similarity | NPD4818 | Approved |
0.6789 | Remote Similarity | NPD9263 | Approved |
0.6789 | Remote Similarity | NPD9267 | Approved |
0.6789 | Remote Similarity | NPD9264 | Approved |
0.6783 | Remote Similarity | NPD9616 | Approved |
0.6783 | Remote Similarity | NPD9615 | Approved |
0.6783 | Remote Similarity | NPD9613 | Approved |
0.678 | Remote Similarity | NPD422 | Phase 1 |
0.6777 | Remote Similarity | NPD7451 | Discontinued |
0.6777 | Remote Similarity | NPD4624 | Approved |
0.6777 | Remote Similarity | NPD6584 | Phase 3 |
0.6774 | Remote Similarity | NPD6663 | Approved |
0.6752 | Remote Similarity | NPD1778 | Approved |
0.6752 | Remote Similarity | NPD9384 | Approved |
0.6752 | Remote Similarity | NPD9381 | Approved |
0.675 | Remote Similarity | NPD5310 | Approved |
0.675 | Remote Similarity | NPD5311 | Approved |
0.6729 | Remote Similarity | NPD5700 | Clinical (unspecified phase) |
0.6724 | Remote Similarity | NPD316 | Approved |
0.6724 | Remote Similarity | NPD1759 | Phase 1 |
0.6723 | Remote Similarity | NPD2337 | Clinical (unspecified phase) |
0.6721 | Remote Similarity | NPD4208 | Discontinued |
0.6721 | Remote Similarity | NPD4212 | Discontinued |
0.6696 | Remote Similarity | NPD7325 | Clinical (unspecified phase) |
0.6696 | Remote Similarity | NPD3596 | Phase 2 |
0.6695 | Remote Similarity | NPD1981 | Approved |
0.6695 | Remote Similarity | NPD1980 | Approved |
0.6695 | Remote Similarity | NPD1671 | Clinical (unspecified phase) |
0.6695 | Remote Similarity | NPD1983 | Approved |
0.6695 | Remote Similarity | NPD3496 | Discontinued |
0.6694 | Remote Similarity | NPD1133 | Approved |
0.6694 | Remote Similarity | NPD1134 | Approved |
0.6694 | Remote Similarity | NPD1135 | Approved |
0.6694 | Remote Similarity | NPD1131 | Approved |
0.6694 | Remote Similarity | NPD1129 | Approved |
0.6667 | Remote Similarity | NPD4908 | Phase 1 |
0.6667 | Remote Similarity | NPD3676 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4207 | Discontinued |
0.6667 | Remote Similarity | NPD3685 | Discontinued |
0.6667 | Remote Similarity | NPD159 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD9612 | Approved |
0.6667 | Remote Similarity | NPD9611 | Approved |
0.6667 | Remote Similarity | NPD9622 | Approved |
0.6667 | Remote Similarity | NPD9609 | Approved |
0.6639 | Remote Similarity | NPD1610 | Phase 2 |
0.6639 | Remote Similarity | NPD1535 | Discovery |
0.6638 | Remote Similarity | NPD1758 | Phase 1 |
0.6638 | Remote Similarity | NPD5536 | Phase 2 |
0.6636 | Remote Similarity | NPD854 | Approved |
0.6636 | Remote Similarity | NPD855 | Approved |
0.6633 | Remote Similarity | NPD5734 | Clinical (unspecified phase) |
0.6613 | Remote Similarity | NPD3027 | Phase 3 |
0.6613 | Remote Similarity | NPD7095 | Approved |
0.6613 | Remote Similarity | NPD3136 | Phase 2 |
0.6612 | Remote Similarity | NPD9634 | Clinical (unspecified phase) |
0.6612 | Remote Similarity | NPD6696 | Suspended |
0.661 | Remote Similarity | NPD6516 | Phase 2 |
0.661 | Remote Similarity | NPD5846 | Approved |
0.6587 | Remote Similarity | NPD3619 | Clinical (unspecified phase) |
0.6587 | Remote Similarity | NPD3620 | Phase 2 |
0.6585 | Remote Similarity | NPD2861 | Phase 2 |
PubChem CID   | 5468522 |
ChEMBL   | CHEMBL262344 |
ZINC   |
Molecular Weight:   | 256.18 |
ALogP:   | 2.8614 |
MLogP:   | 3.33 |
XLogP:   | 7.589 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 19 |