Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO27978 | Crossosoma bigelovii | Species | Crossosomataceae | Eukaryota |
PMID[19405508] |
|||
NPO8369 | Antiaris toxicaria | Species | Moraceae | Eukaryota |
PMID[20553004] |
|||
NPO8369 | Antiaris toxicaria | Species | Moraceae | Eukaryota | trunk bark | Yunnan, China |
PMID[24582402] |
|
NPO11172 | Lepidii semen descurainiae semen | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 0.44 | ug/ml | 4031899 |
NPT2 | Others | Unspecified | EC50 | = | 2000 | nM | 19405508 | |
NPT2 | Others | Unspecified | Survival | = | 3 | % | 19894733 | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Survival | = | 21 | % | 19894733 |
NPT139 | Cell Line | HT-29 | Homo sapiens | Survival | = | 58 | % | 19894733 |
NPT2 | Others | Unspecified | Activity | = | 0.001 | nM | 20553004 | |
NPT2 | Others | Unspecified | Activity | = | 4.8 | nM | 20553004 | |
NPT2 | Others | Unspecified | Activity | = | 165 | % | 20553004 | |
NPT2 | Others | Unspecified | Activity | = | 240 | % | 20553004 | |
NPT2 | Others | Unspecified | Ratio | = | 9 | 20553004 | ||
NPT2 | Others | Unspecified | Ratio | = | 8.7 | 20553004 | ||
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT537 | Individual Protein | Ras-related protein Rab-9A | Homo sapiens | Potency | = | 1412.5 | nM | PubChem BioAssay data set |
NPT538 | Individual Protein | Niemann-Pick C1 protein | Homo sapiens | Potency | = | 1778.3 | nM | PubChem BioAssay data set |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | = | 501.2 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | AC50 | = | 582.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 461.1 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 259.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | = | 340 | nM | PubChem BioAssay data set | |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 580.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | = | 68900 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | > | 80000 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | = | 1130 | nM | PubChem BioAssay data set | |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 1412.5 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 100000 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | AC50 | = | 446.4 | nM | PubChem BioAssay data set | |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | CC50 | 1220 | nM | PubChem BioAssay data set | |
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | 7079.5 | nM | PubChem BioAssay data set | |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 417.83 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 371.54 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 141.91 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 264.85 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 443.61 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 1247.38 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 346.74 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 283.79 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 293.76 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 287.74 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 434.51 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 605.34 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 562.34 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 420.73 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 112.2 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 402.72 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 159.22 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 698.23 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 1419.06 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 497.74 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 1581.25 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 2654.61 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 386.37 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 464.52 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 528.45 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 94.19 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 1940.89 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 1066.6 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 918.33 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 505.82 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 297.85 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 452.9 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 354.81 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 1606.94 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 4265.8 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 159.22 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 1137.63 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 413.05 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 259.42 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 397.19 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 361.41 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 452.9 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 567.54 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 696.63 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 194.54 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 1524.05 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 522.4 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 189.67 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 452.9 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 457.09 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 321.37 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 682.34 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 765.6 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 487.53 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 406.44 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 1230.27 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 1729.82 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 273.53 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 1358.31 | nM | PubChem BioAssay data set | |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | 849.2 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 326.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 501.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 562.3 | nM | PubChem BioAssay data set | ||
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 2592.9 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 251.2 | nM | PubChem BioAssay data set | |
NPT101 | Individual Protein | Glucagon-like peptide 1 receptor | Homo sapiens | Potency | 1000 | nM | PubChem BioAssay data set | |
NPT157 | Individual Protein | Breast cancer type 1 susceptibility protein | Homo sapiens | Potency | 1258.9 | nM | PubChem BioAssay data set | |
NPT1417 | Individual Protein | Transcriptional regulator ERG | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 5173.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 651.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 5956.9 | nM | PubChem BioAssay data set | ||
NPT1283 | Individual Protein | Paired box protein Pax-8 | Homo sapiens | AC50 | < | 260 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | 9441.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 7307.8 | nM | PubChem BioAssay data set | ||
NPT861 | Individual Protein | Isocitrate dehydrogenase [NADP] cytoplasmic | Homo sapiens | Potency | 1158.2 | nM | PubChem BioAssay data set | |
NPT1283 | Individual Protein | Paired box protein Pax-8 | Homo sapiens | AC50 | = | 2220 | nM | PubChem BioAssay data set |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 71.19 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 88.86 | % | 23571415 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 0.13 | ug/ml | 24582402 |
NPT2 | Others | Unspecified | ED50 | = | 0.51 | ug/ml | 24582402 | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | ED50 | = | 0.14 | ug/ml | 24582402 |
NPT309 | Cell Line | 1A9 | Homo sapiens | ED50 | = | 0.15 | ug/ml | 24582402 |
NPT306 | Cell Line | PC-3 | Homo sapiens | ED50 | = | 0.17 | ug/ml | 24582402 |
NPT2 | Others | Unspecified | ED50 | = | 0.72 | ug/ml | 24582402 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | ED50 | = | 0.38 | ug/ml | 24582402 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 0.11 | ug/ml | 24582402 |
NPT2 | Others | Unspecified | ED50 | = | 0.69 | ug/ml | 24582402 | |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 0.61 | ug/ml | 24582402 |
NPT2 | Others | Unspecified | Potency | 1000 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 410.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 7943.3 | nM | PubChem BioAssay data set |
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 NPC72772 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 |
---|---|---|
1.0 | High Similarity | NPC469794 |
0.9273 | High Similarity | NPC196931 |
0.9043 | High Similarity | NPC55602 |
0.8983 | High Similarity | NPC469751 |
0.8983 | High Similarity | NPC471361 |
0.8983 | High Similarity | NPC180079 |
0.8983 | High Similarity | NPC284406 |
0.8983 | High Similarity | NPC10823 |
0.8983 | High Similarity | NPC471360 |
0.8983 | High Similarity | NPC86159 |
0.8983 | High Similarity | NPC471359 |
0.8983 | High Similarity | NPC70542 |
0.8983 | High Similarity | NPC469753 |
0.8983 | High Similarity | NPC89514 |
0.8983 | High Similarity | NPC469754 |
0.8983 | High Similarity | NPC9499 |
0.8983 | High Similarity | NPC469752 |
0.8983 | High Similarity | NPC251866 |
0.8983 | High Similarity | NPC469755 |
0.8983 | High Similarity | NPC6108 |
0.8983 | High Similarity | NPC17896 |
0.8983 | High Similarity | NPC219085 |
0.8983 | High Similarity | NPC197707 |
0.8983 | High Similarity | NPC471358 |
0.8983 | High Similarity | NPC471352 |
0.8962 | High Similarity | NPC97487 |
0.8962 | High Similarity | NPC10232 |
0.8962 | High Similarity | NPC196471 |
0.8962 | High Similarity | NPC187302 |
0.8962 | High Similarity | NPC189588 |
0.8947 | High Similarity | NPC184555 |
0.8818 | High Similarity | NPC179642 |
0.8814 | High Similarity | NPC179412 |
0.8814 | High Similarity | NPC469757 |
0.8814 | High Similarity | NPC146456 |
0.8814 | High Similarity | NPC471356 |
0.8814 | High Similarity | NPC117702 |
0.8814 | High Similarity | NPC471357 |
0.8785 | High Similarity | NPC112009 |
0.8774 | High Similarity | NPC25177 |
0.8774 | High Similarity | NPC222875 |
0.8774 | High Similarity | NPC295110 |
0.8774 | High Similarity | NPC247701 |
0.8774 | High Similarity | NPC268829 |
0.876 | High Similarity | NPC116075 |
0.876 | High Similarity | NPC247190 |
0.876 | High Similarity | NPC146857 |
0.876 | High Similarity | NPC469749 |
0.876 | High Similarity | NPC32793 |
0.8729 | High Similarity | NPC250556 |
0.8729 | High Similarity | NPC469750 |
0.8727 | High Similarity | NPC257082 |
0.8727 | High Similarity | NPC285298 |
0.8716 | High Similarity | NPC263729 |
0.8689 | High Similarity | NPC329636 |
0.8667 | High Similarity | NPC231529 |
0.8624 | High Similarity | NPC119855 |
0.8624 | High Similarity | NPC220217 |
0.8621 | High Similarity | NPC472004 |
0.8618 | High Similarity | NPC194716 |
0.8611 | High Similarity | NPC120321 |
0.8611 | High Similarity | NPC180204 |
0.8611 | High Similarity | NPC160583 |
0.8607 | High Similarity | NPC88668 |
0.8598 | High Similarity | NPC471412 |
0.8559 | High Similarity | NPC475030 |
0.8559 | High Similarity | NPC27363 |
0.8548 | High Similarity | NPC329675 |
0.8548 | High Similarity | NPC59288 |
0.8525 | High Similarity | NPC93416 |
0.8519 | High Similarity | NPC193934 |
0.8519 | High Similarity | NPC271980 |
0.8512 | High Similarity | NPC276838 |
0.8512 | High Similarity | NPC125077 |
0.8512 | High Similarity | NPC329986 |
0.8512 | High Similarity | NPC232785 |
0.8512 | High Similarity | NPC140092 |
0.8512 | High Similarity | NPC188234 |
0.8505 | High Similarity | NPC117685 |
0.8505 | High Similarity | NPC471413 |
0.8505 | High Similarity | NPC201406 |
0.8505 | High Similarity | NPC251680 |
0.8496 | Intermediate Similarity | NPC470063 |
0.8487 | Intermediate Similarity | NPC233041 |
0.8468 | Intermediate Similarity | NPC163216 |
0.8455 | Intermediate Similarity | NPC186668 |
0.8455 | Intermediate Similarity | NPC295366 |
0.8443 | Intermediate Similarity | NPC16569 |
0.8443 | Intermediate Similarity | NPC159338 |
0.8443 | Intermediate Similarity | NPC253456 |
0.844 | Intermediate Similarity | NPC312900 |
0.844 | Intermediate Similarity | NPC472821 |
0.843 | Intermediate Similarity | NPC311534 |
0.8426 | Intermediate Similarity | NPC475099 |
0.8421 | Intermediate Similarity | NPC52634 |
0.8421 | Intermediate Similarity | NPC73050 |
0.8411 | Intermediate Similarity | NPC119036 |
0.8403 | Intermediate Similarity | NPC473979 |
0.8387 | Intermediate Similarity | NPC248703 |
0.8378 | Intermediate Similarity | NPC179380 |
0.8376 | Intermediate Similarity | NPC230513 |
0.8374 | Intermediate Similarity | NPC19124 |
0.8374 | Intermediate Similarity | NPC42670 |
0.8364 | Intermediate Similarity | NPC201763 |
0.8362 | Intermediate Similarity | NPC239273 |
0.8361 | Intermediate Similarity | NPC91 |
0.8349 | Intermediate Similarity | NPC22388 |
0.8349 | Intermediate Similarity | NPC476081 |
0.8349 | Intermediate Similarity | NPC162973 |
0.8349 | Intermediate Similarity | NPC170615 |
0.8348 | Intermediate Similarity | NPC470953 |
0.8348 | Intermediate Similarity | NPC178289 |
0.8348 | Intermediate Similarity | NPC238667 |
0.8347 | Intermediate Similarity | NPC240070 |
0.8347 | Intermediate Similarity | NPC287423 |
0.8347 | Intermediate Similarity | NPC329784 |
0.8333 | Intermediate Similarity | NPC108371 |
0.8333 | Intermediate Similarity | NPC90952 |
0.8333 | Intermediate Similarity | NPC277769 |
0.8333 | Intermediate Similarity | NPC476163 |
0.8333 | Intermediate Similarity | NPC4573 |
0.8319 | Intermediate Similarity | NPC269642 |
0.8306 | Intermediate Similarity | NPC104585 |
0.8306 | Intermediate Similarity | NPC476221 |
0.8306 | Intermediate Similarity | NPC298783 |
0.8306 | Intermediate Similarity | NPC157817 |
0.8306 | Intermediate Similarity | NPC477709 |
0.8306 | Intermediate Similarity | NPC225385 |
0.8305 | Intermediate Similarity | NPC476962 |
0.8305 | Intermediate Similarity | NPC145074 |
0.8305 | Intermediate Similarity | NPC114939 |
0.8305 | Intermediate Similarity | NPC41123 |
0.8304 | Intermediate Similarity | NPC177064 |
0.8304 | Intermediate Similarity | NPC306265 |
0.8291 | Intermediate Similarity | NPC113448 |
0.8276 | Intermediate Similarity | NPC266728 |
0.8276 | Intermediate Similarity | NPC298278 |
0.8276 | Intermediate Similarity | NPC106228 |
0.8276 | Intermediate Similarity | NPC49492 |
0.8276 | Intermediate Similarity | NPC138372 |
0.8273 | Intermediate Similarity | NPC36688 |
0.8273 | Intermediate Similarity | NPC222153 |
0.8261 | Intermediate Similarity | NPC9848 |
0.8261 | Intermediate Similarity | NPC962 |
0.8261 | Intermediate Similarity | NPC312017 |
0.8254 | Intermediate Similarity | NPC62172 |
0.8254 | Intermediate Similarity | NPC289700 |
0.825 | Intermediate Similarity | NPC11895 |
0.825 | Intermediate Similarity | NPC472768 |
0.825 | Intermediate Similarity | NPC204812 |
0.8235 | Intermediate Similarity | NPC46570 |
0.823 | Intermediate Similarity | NPC475941 |
0.823 | Intermediate Similarity | NPC476759 |
0.823 | Intermediate Similarity | NPC474243 |
0.823 | Intermediate Similarity | NPC474901 |
0.8224 | Intermediate Similarity | NPC29952 |
0.822 | Intermediate Similarity | NPC42673 |
0.822 | Intermediate Similarity | NPC476960 |
0.822 | Intermediate Similarity | NPC475041 |
0.822 | Intermediate Similarity | NPC312536 |
0.8214 | Intermediate Similarity | NPC220974 |
0.8214 | Intermediate Similarity | NPC302788 |
0.8211 | Intermediate Similarity | NPC221414 |
0.8205 | Intermediate Similarity | NPC55296 |
0.8205 | Intermediate Similarity | NPC476959 |
0.8205 | Intermediate Similarity | NPC474518 |
0.8182 | Intermediate Similarity | NPC286519 |
0.8182 | Intermediate Similarity | NPC124544 |
0.8182 | Intermediate Similarity | NPC241456 |
0.8182 | Intermediate Similarity | NPC172154 |
0.8182 | Intermediate Similarity | NPC76866 |
0.8182 | Intermediate Similarity | NPC214946 |
0.8182 | Intermediate Similarity | NPC81736 |
0.8182 | Intermediate Similarity | NPC304832 |
0.8182 | Intermediate Similarity | NPC32868 |
0.8182 | Intermediate Similarity | NPC88203 |
0.8182 | Intermediate Similarity | NPC8369 |
0.8182 | Intermediate Similarity | NPC148628 |
0.8182 | Intermediate Similarity | NPC469790 |
0.8182 | Intermediate Similarity | NPC246736 |
0.8182 | Intermediate Similarity | NPC476769 |
0.8175 | Intermediate Similarity | NPC171619 |
0.8174 | Intermediate Similarity | NPC285956 |
0.8174 | Intermediate Similarity | NPC69291 |
0.8167 | Intermediate Similarity | NPC222688 |
0.8167 | Intermediate Similarity | NPC107493 |
0.8167 | Intermediate Similarity | NPC170538 |
0.8165 | Intermediate Similarity | NPC37047 |
0.8165 | Intermediate Similarity | NPC41971 |
0.8165 | Intermediate Similarity | NPC476767 |
0.8165 | Intermediate Similarity | NPC180733 |
0.8165 | Intermediate Similarity | NPC94906 |
0.8165 | Intermediate Similarity | NPC471041 |
0.816 | Intermediate Similarity | NPC142756 |
0.8158 | Intermediate Similarity | NPC472666 |
0.8158 | Intermediate Similarity | NPC470496 |
0.8151 | Intermediate Similarity | NPC154491 |
0.8151 | Intermediate Similarity | NPC268530 |
0.8151 | Intermediate Similarity | NPC476961 |
0.8151 | Intermediate Similarity | NPC251226 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC72772 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 |
---|---|---|---|
0.8983 | High Similarity | NPD7319 | Approved |
0.8729 | High Similarity | NPD7507 | Approved |
0.8585 | High Similarity | NPD7638 | Approved |
0.8505 | High Similarity | NPD7640 | Approved |
0.8505 | High Similarity | NPD7639 | Approved |
0.8142 | Intermediate Similarity | NPD7320 | Approved |
0.8125 | Intermediate Similarity | NPD5739 | Approved |
0.8125 | Intermediate Similarity | NPD6675 | Approved |
0.8125 | Intermediate Similarity | NPD7128 | Approved |
0.8125 | Intermediate Similarity | NPD6402 | Approved |
0.7983 | Intermediate Similarity | NPD7327 | Approved |
0.7983 | Intermediate Similarity | NPD7328 | Approved |
0.7982 | Intermediate Similarity | NPD6881 | Approved |
0.7982 | Intermediate Similarity | NPD6899 | Approved |
0.7917 | Intermediate Similarity | NPD7516 | Approved |
0.7913 | Intermediate Similarity | NPD6373 | Approved |
0.7913 | Intermediate Similarity | NPD6372 | Approved |
0.7895 | Intermediate Similarity | NPD5697 | Approved |
0.7895 | Intermediate Similarity | NPD5701 | Approved |
0.7886 | Intermediate Similarity | NPD7492 | Approved |
0.7863 | Intermediate Similarity | NPD6053 | Discontinued |
0.7857 | Intermediate Similarity | NPD7632 | Discontinued |
0.7851 | Intermediate Similarity | NPD6059 | Approved |
0.7851 | Intermediate Similarity | NPD6319 | Approved |
0.7851 | Intermediate Similarity | NPD6054 | Approved |
0.7845 | Intermediate Similarity | NPD7290 | Approved |
0.7845 | Intermediate Similarity | NPD7102 | Approved |
0.7845 | Intermediate Similarity | NPD6883 | Approved |
0.784 | Intermediate Similarity | NPD7736 | Approved |
0.7823 | Intermediate Similarity | NPD6616 | Approved |
0.7807 | Intermediate Similarity | NPD6008 | Approved |
0.7787 | Intermediate Similarity | NPD8380 | Approved |
0.7787 | Intermediate Similarity | NPD8296 | Approved |
0.7787 | Intermediate Similarity | NPD8379 | Approved |
0.7787 | Intermediate Similarity | NPD8335 | Approved |
0.7787 | Intermediate Similarity | NPD8378 | Approved |
0.7778 | Intermediate Similarity | NPD6650 | Approved |
0.7778 | Intermediate Similarity | NPD8130 | Phase 1 |
0.7778 | Intermediate Similarity | NPD6869 | Approved |
0.7778 | Intermediate Similarity | NPD6617 | Approved |
0.7778 | Intermediate Similarity | NPD6847 | Approved |
0.7778 | Intermediate Similarity | NPD6649 | Approved |
0.776 | Intermediate Similarity | NPD7078 | Approved |
0.776 | Intermediate Similarity | NPD8293 | Discontinued |
0.7759 | Intermediate Similarity | NPD6014 | Approved |
0.7759 | Intermediate Similarity | NPD6012 | Approved |
0.7759 | Intermediate Similarity | NPD6013 | Approved |
0.775 | Intermediate Similarity | NPD7115 | Discovery |
0.7724 | Intermediate Similarity | NPD6370 | Approved |
0.7712 | Intermediate Similarity | NPD6882 | Approved |
0.7712 | Intermediate Similarity | NPD8297 | Approved |
0.7705 | Intermediate Similarity | NPD8294 | Approved |
0.7705 | Intermediate Similarity | NPD8377 | Approved |
0.7672 | Intermediate Similarity | NPD6011 | Approved |
0.7658 | Intermediate Similarity | NPD4755 | Approved |
0.7658 | Intermediate Similarity | NPD6083 | Phase 2 |
0.7658 | Intermediate Similarity | NPD6084 | Phase 2 |
0.7647 | Intermediate Similarity | NPD4632 | Approved |
0.7642 | Intermediate Similarity | NPD8033 | Approved |
0.7642 | Intermediate Similarity | NPD6015 | Approved |
0.7642 | Intermediate Similarity | NPD6016 | Approved |
0.7627 | Intermediate Similarity | NPD6401 | Clinical (unspecified phase) |
0.7607 | Intermediate Similarity | NPD4061 | Clinical (unspecified phase) |
0.7581 | Intermediate Similarity | NPD5988 | Approved |
0.7544 | Intermediate Similarity | NPD5211 | Phase 2 |
0.7542 | Intermediate Similarity | NPD4634 | Approved |
0.7522 | Intermediate Similarity | NPD4696 | Approved |
0.7522 | Intermediate Similarity | NPD5286 | Approved |
0.7522 | Intermediate Similarity | NPD4700 | Approved |
0.7522 | Intermediate Similarity | NPD5285 | Approved |
0.75 | Intermediate Similarity | NPD5328 | Approved |
0.7459 | Intermediate Similarity | NPD6009 | Approved |
0.7414 | Intermediate Similarity | NPD5141 | Approved |
0.7411 | Intermediate Similarity | NPD4697 | Phase 3 |
0.7395 | Intermediate Similarity | NPD5955 | Clinical (unspecified phase) |
0.7391 | Intermediate Similarity | NPD4633 | Approved |
0.7391 | Intermediate Similarity | NPD5224 | Approved |
0.7391 | Intermediate Similarity | NPD5226 | Approved |
0.7391 | Intermediate Similarity | NPD5225 | Approved |
0.7381 | Intermediate Similarity | NPD7604 | Phase 2 |
0.7377 | Intermediate Similarity | NPD6274 | Approved |
0.7373 | Intermediate Similarity | NPD6686 | Approved |
0.7373 | Intermediate Similarity | NPD5345 | Clinical (unspecified phase) |
0.7364 | Intermediate Similarity | NPD6079 | Approved |
0.736 | Intermediate Similarity | NPD5983 | Phase 2 |
0.7339 | Intermediate Similarity | NPD7100 | Approved |
0.7339 | Intermediate Similarity | NPD7101 | Approved |
0.7328 | Intermediate Similarity | NPD5175 | Approved |
0.7328 | Intermediate Similarity | NPD5174 | Approved |
0.7321 | Intermediate Similarity | NPD5695 | Phase 3 |
0.7321 | Intermediate Similarity | NPD6356 | Clinical (unspecified phase) |
0.7304 | Intermediate Similarity | NPD5223 | Approved |
0.7297 | Intermediate Similarity | NPD4202 | Approved |
0.7287 | Intermediate Similarity | NPD6033 | Approved |
0.7281 | Intermediate Similarity | NPD4225 | Approved |
0.7281 | Intermediate Similarity | NPD5696 | Approved |
0.7266 | Intermediate Similarity | NPD6336 | Discontinued |
0.7258 | Intermediate Similarity | NPD6335 | Approved |
0.7248 | Intermediate Similarity | NPD6903 | Approved |
0.7248 | Intermediate Similarity | NPD7513 | Clinical (unspecified phase) |
0.7232 | Intermediate Similarity | NPD7748 | Approved |
0.7222 | Intermediate Similarity | NPD6909 | Approved |
0.7222 | Intermediate Similarity | NPD5330 | Approved |
0.7222 | Intermediate Similarity | NPD6684 | Approved |
0.7222 | Intermediate Similarity | NPD6908 | Approved |
0.7222 | Intermediate Similarity | NPD7334 | Approved |
0.7222 | Intermediate Similarity | NPD7521 | Approved |
0.7222 | Intermediate Similarity | NPD7146 | Approved |
0.7222 | Intermediate Similarity | NPD6409 | Approved |
0.7207 | Intermediate Similarity | NPD5693 | Phase 1 |
0.7207 | Intermediate Similarity | NPD7515 | Phase 2 |
0.7207 | Intermediate Similarity | NPD7637 | Suspended |
0.7203 | Intermediate Similarity | NPD4768 | Approved |
0.7203 | Intermediate Similarity | NPD4767 | Approved |
0.7182 | Intermediate Similarity | NPD4753 | Phase 2 |
0.7179 | Intermediate Similarity | NPD4754 | Approved |
0.7177 | Intermediate Similarity | NPD6317 | Approved |
0.7143 | Intermediate Similarity | NPD6412 | Phase 2 |
0.7143 | Intermediate Similarity | NPD5954 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD6399 | Phase 3 |
0.713 | Intermediate Similarity | NPD7520 | Clinical (unspecified phase) |
0.712 | Intermediate Similarity | NPD6313 | Approved |
0.712 | Intermediate Similarity | NPD6314 | Approved |
0.7105 | Intermediate Similarity | NPD5221 | Approved |
0.7105 | Intermediate Similarity | NPD5222 | Approved |
0.7105 | Intermediate Similarity | NPD5220 | Clinical (unspecified phase) |
0.7087 | Intermediate Similarity | NPD7503 | Approved |
0.7087 | Intermediate Similarity | NPD6291 | Clinical (unspecified phase) |
0.7083 | Intermediate Similarity | NPD5128 | Approved |
0.7083 | Intermediate Similarity | NPD4730 | Approved |
0.7083 | Intermediate Similarity | NPD4729 | Approved |
0.7073 | Intermediate Similarity | NPD8133 | Approved |
0.7064 | Intermediate Similarity | NPD3618 | Phase 1 |
0.7054 | Intermediate Similarity | NPD8035 | Phase 2 |
0.7054 | Intermediate Similarity | NPD8034 | Phase 2 |
0.7043 | Intermediate Similarity | NPD5173 | Approved |
0.7043 | Intermediate Similarity | NPD7902 | Approved |
0.7037 | Intermediate Similarity | NPD3666 | Approved |
0.7037 | Intermediate Similarity | NPD3133 | Approved |
0.7037 | Intermediate Similarity | NPD3665 | Phase 1 |
0.7027 | Intermediate Similarity | NPD6673 | Approved |
0.7027 | Intermediate Similarity | NPD6080 | Approved |
0.7027 | Intermediate Similarity | NPD6904 | Approved |
0.7027 | Intermediate Similarity | NPD6051 | Approved |
0.7009 | Intermediate Similarity | NPD4752 | Clinical (unspecified phase) |
0.6991 | Remote Similarity | NPD5779 | Approved |
0.6991 | Remote Similarity | NPD5778 | Approved |
0.6977 | Remote Similarity | NPD8328 | Phase 3 |
0.6967 | Remote Similarity | NPD5247 | Approved |
0.6967 | Remote Similarity | NPD5248 | Approved |
0.6967 | Remote Similarity | NPD6371 | Approved |
0.6967 | Remote Similarity | NPD5250 | Approved |
0.6967 | Remote Similarity | NPD5249 | Phase 3 |
0.6967 | Remote Similarity | NPD5251 | Approved |
0.6964 | Remote Similarity | NPD5785 | Approved |
0.696 | Remote Similarity | NPD6868 | Approved |
0.6937 | Remote Similarity | NPD6672 | Approved |
0.6937 | Remote Similarity | NPD5737 | Approved |
0.6934 | Remote Similarity | NPD6334 | Approved |
0.6934 | Remote Similarity | NPD6333 | Approved |
0.693 | Remote Similarity | NPD6001 | Approved |
0.6911 | Remote Similarity | NPD5215 | Approved |
0.6911 | Remote Similarity | NPD5216 | Approved |
0.6911 | Remote Similarity | NPD5217 | Approved |
0.6909 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.6903 | Remote Similarity | NPD6411 | Approved |
0.6881 | Remote Similarity | NPD4786 | Approved |
0.687 | Remote Similarity | NPD5210 | Approved |
0.687 | Remote Similarity | NPD4629 | Approved |
0.686 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6852 | Remote Similarity | NPD4223 | Phase 3 |
0.6852 | Remote Similarity | NPD4221 | Approved |
0.6829 | Remote Similarity | NPD5134 | Clinical (unspecified phase) |
0.6829 | Remote Similarity | NPD5169 | Approved |
0.6829 | Remote Similarity | NPD5135 | Approved |
0.6822 | Remote Similarity | NPD7525 | Registered |
0.6818 | Remote Similarity | NPD5329 | Approved |
0.6792 | Remote Similarity | NPD6114 | Approved |
0.6792 | Remote Similarity | NPD6115 | Approved |
0.6792 | Remote Similarity | NPD6118 | Approved |
0.6792 | Remote Similarity | NPD6697 | Approved |
0.6789 | Remote Similarity | NPD4788 | Approved |
0.6786 | Remote Similarity | NPD5208 | Approved |
0.6783 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.6783 | Remote Similarity | NPD7900 | Approved |
0.6774 | Remote Similarity | NPD5127 | Approved |
0.6757 | Remote Similarity | NPD6098 | Approved |
0.6754 | Remote Similarity | NPD5281 | Approved |
0.6754 | Remote Similarity | NPD5284 | Approved |
0.6754 | Remote Similarity | NPD6050 | Approved |
0.6727 | Remote Similarity | NPD4197 | Approved |
0.6726 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6726 | Remote Similarity | NPD6101 | Approved |
0.6724 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6718 | Remote Similarity | NPD6067 | Discontinued |
0.6697 | Remote Similarity | NPD3667 | Approved |
0.6696 | Remote Similarity | NPD3573 | Approved |
0.6692 | Remote Similarity | NPD6921 | Approved |
0.6689 | Remote Similarity | NPD5761 | Phase 2 |
0.6689 | Remote Similarity | NPD5760 | Phase 2 |
PubChem CID   | 6185 |
ChEMBL   | CHEMBL111743 |
ZINC   |
Molecular Weight:   | 404.22 |
ALogP:   | -1.306 |
MLogP:   | 3.33 |
XLogP:   | 1.546 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 104.06 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 3 |
# Rings:   | 5 |
# Heavy Atoms:   | 29 |