Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO27255 | Macaranga alnifolia | Species | Euphorbiaceae | Eukaryota | Madagascar rainforest |
PMID[17326683] |
||
NPO27255 | Macaranga alnifolia | Species | Euphorbiaceae | Eukaryota | fruit |
PMID[17326683] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | = | 3715.35 | nM | 17326683 |
NPT571 | Cell Line | A2780cisR | Homo sapiens | IC50 | = | 260 | nM | 17326683 |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | = | 2200 | nM | 17326683 |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | = | 2200 | nM | 17326683 |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | = | 2200 | nM | 17326683 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | = | 2200 | nM | 17326683 |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | < | 10 | nM | 17326683 |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | TGI | < | 10 | nM | 17326683 |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | < | 10 | nM | 17326683 |
NPT399 | Cell Line | SF-295 | Homo sapiens | TGI | < | 10 | nM | 17326683 |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | < | 10 | nM | 17326683 |
NPT376 | Cell Line | A498 | Homo sapiens | TGI | < | 10 | nM | 17326683 |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | < | 10 | nM | 17326683 |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | TGI | < | 10 | nM | 17326683 |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | = | 2137.96 | nM | 17326683 |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | TGI | = | 10000 | nM | 17326683 |
NPT111 | Cell Line | K562 | Homo sapiens | TGI | = | 691.83 | nM | 17326683 |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | TGI | = | 52.48 | nM | 17326683 |
NPT81 | Cell Line | A549 | Homo sapiens | TGI | = | 12589.25 | nM | 17326683 |
NPT81 | Cell Line | A549 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT394 | Cell Line | EKVX | Homo sapiens | TGI | = | 28183.83 | nM | 17326683 |
NPT394 | Cell Line | EKVX | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | LC50 | = | 6456.54 | nM | 17326683 |
NPT379 | Cell Line | HOP-62 | Homo sapiens | TGI | = | 75.86 | nM | 17326683 |
NPT379 | Cell Line | HOP-62 | Homo sapiens | LC50 | = | 7762.47 | nM | 17326683 |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | = | 794.33 | nM | 17326683 |
NPT372 | Cell Line | HOP-92 | Homo sapiens | TGI | = | 5128.61 | nM | 17326683 |
NPT372 | Cell Line | HOP-92 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | = | 239.88 | nM | 17326683 |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | TGI | = | 2344.23 | nM | 17326683 |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | LC50 | = | 13803.84 | nM | 17326683 |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | = | 288.4 | nM | 17326683 |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | TGI | = | 2238.72 | nM | 17326683 |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | LC50 | = | 13803.84 | nM | 17326683 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | = | 151.36 | nM | 17326683 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | TGI | > | 100000 | nM | 17326683 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | = | 1995.26 | nM | 17326683 |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | TGI | > | 100000 | nM | 17326683 |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | = | 1023.29 | nM | 17326683 |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | TGI | = | 2570.4 | nM | 17326683 |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | = | 20.89 | nM | 17326683 |
NPT393 | Cell Line | HCT-116 | Homo sapiens | TGI | = | 870.96 | nM | 17326683 |
NPT393 | Cell Line | HCT-116 | Homo sapiens | LC50 | = | 6918.31 | nM | 17326683 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | = | 602.56 | nM | 17326683 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | TGI | = | 3630.78 | nM | 17326683 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | LC50 | = | 26915.35 | nM | 17326683 |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | = | 1288.25 | nM | 17326683 |
NPT139 | Cell Line | HT-29 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | = | 457.09 | nM | 17326683 |
NPT386 | Cell Line | KM12 | Homo sapiens | TGI | = | 2238.72 | nM | 17326683 |
NPT386 | Cell Line | KM12 | Homo sapiens | LC50 | = | 9549.93 | nM | 17326683 |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | = | 109.65 | nM | 17326683 |
NPT323 | Cell Line | SW-620 | Homo sapiens | TGI | = | 2041.74 | nM | 17326683 |
NPT323 | Cell Line | SW-620 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | = | 2630.27 | nM | 17326683 |
NPT395 | Cell Line | SF-268 | Homo sapiens | TGI | > | 100000 | nM | 17326683 |
NPT395 | Cell Line | SF-268 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT399 | Cell Line | SF-295 | Homo sapiens | LC50 | < | 10 | nM | 17326683 |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT374 | Cell Line | SF-539 | Homo sapiens | TGI | = | 158.49 | nM | 17326683 |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | = | 10964.78 | nM | 17326683 |
NPT383 | Cell Line | SNB-19 | Homo sapiens | TGI | > | 100000 | nM | 17326683 |
NPT383 | Cell Line | SNB-19 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | = | 1737.8 | nM | 17326683 |
NPT392 | Cell Line | SNB-75 | Homo sapiens | TGI | = | 19952.62 | nM | 17326683 |
NPT392 | Cell Line | SNB-75 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT380 | Cell Line | U-251 | Homo sapiens | TGI | = | 3981.07 | nM | 17326683 |
NPT380 | Cell Line | U-251 | Homo sapiens | LC50 | = | 32359.37 | nM | 17326683 |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | = | 645.65 | nM | 17326683 |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | TGI | = | 2344.23 | nM | 17326683 |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | LC50 | = | 6165.95 | nM | 17326683 |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT387 | Cell Line | M14 | Homo sapiens | TGI | = | 288.4 | nM | 17326683 |
NPT387 | Cell Line | M14 | Homo sapiens | LC50 | = | 4265.8 | nM | 17326683 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | TGI | > | 100000 | nM | 17326683 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | = | 371.54 | nM | 17326683 |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | TGI | = | 5248.07 | nM | 17326683 |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | = | 660.69 | nM | 17326683 |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | TGI | = | 2238.72 | nM | 17326683 |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | LC50 | = | 5623.41 | nM | 17326683 |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | = | 165.96 | nM | 17326683 |
NPT403 | Cell Line | UACC-257 | Homo sapiens | TGI | = | 3630.78 | nM | 17326683 |
NPT403 | Cell Line | UACC-257 | Homo sapiens | LC50 | = | 37153.52 | nM | 17326683 |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT398 | Cell Line | UACC-62 | Homo sapiens | TGI | = | 371.54 | nM | 17326683 |
NPT398 | Cell Line | UACC-62 | Homo sapiens | LC50 | = | 4073.8 | nM | 17326683 |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | = | 6165.95 | nM | 17326683 |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | TGI | = | 8317.64 | nM | 17326683 |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | LC50 | = | 23988.33 | nM | 17326683 |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | = | 575.44 | nM | 17326683 |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | TGI | = | 9332.54 | nM | 17326683 |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | = | 2511.89 | nM | 17326683 |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | TGI | = | 6760.83 | nM | 17326683 |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | = | 2754.23 | nM | 17326683 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | TGI | = | 10964.78 | nM | 17326683 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | LC50 | = | 93325.43 | nM | 17326683 |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT401 | Cell Line | 786-0 | Homo sapiens | TGI | = | 1071.52 | nM | 17326683 |
NPT401 | Cell Line | 786-0 | Homo sapiens | LC50 | = | 9772.37 | nM | 17326683 |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT376 | Cell Line | A498 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | = | 371.54 | nM | 17326683 |
NPT369 | Cell Line | ACHN | Homo sapiens | TGI | = | 3019.95 | nM | 17326683 |
NPT369 | Cell Line | ACHN | Homo sapiens | LC50 | = | 13182.57 | nM | 17326683 |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | > | 10 | nM | 17326683 |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | LC50 | = | 549.54 | nM | 17326683 |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | = | 2089.3 | nM | 17326683 |
NPT368 | Cell Line | SN12C | Homo sapiens | TGI | = | 7585.78 | nM | 17326683 |
NPT368 | Cell Line | SN12C | Homo sapiens | LC50 | = | 34673.69 | nM | 17326683 |
NPT384 | Cell Line | TK-10 | Homo sapiens | TGI | = | 2630.27 | nM | 17326683 |
NPT384 | Cell Line | TK-10 | Homo sapiens | LC50 | = | 18620.87 | nM | 17326683 |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | = | 104.71 | nM | 17326683 |
NPT371 | Cell Line | UO-31 | Homo sapiens | TGI | > | 100000 | nM | 17326683 |
NPT371 | Cell Line | UO-31 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | = | 138.04 | nM | 17326683 |
NPT306 | Cell Line | PC-3 | Homo sapiens | TGI | = | 9549.93 | nM | 17326683 |
NPT306 | Cell Line | PC-3 | Homo sapiens | LC50 | = | 47863.01 | nM | 17326683 |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 467.74 | nM | 17326683 |
NPT90 | Cell Line | DU-145 | Homo sapiens | TGI | = | 14125.38 | nM | 17326683 |
NPT90 | Cell Line | DU-145 | Homo sapiens | LC50 | = | 72443.6 | nM | 17326683 |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 61.66 | nM | 17326683 |
NPT83 | Cell Line | MCF7 | Homo sapiens | TGI | = | 26915.35 | nM | 17326683 |
NPT83 | Cell Line | MCF7 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | = | 2238.72 | nM | 17326683 |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | TGI | = | 6606.93 | nM | 17326683 |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | LC50 | = | 50118.72 | nM | 17326683 |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | TGI | = | 3467.37 | nM | 17326683 |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | = | 851.14 | nM | 17326683 |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | LC50 | = | 26302.68 | nM | 17326683 |
NPT2 | Others | Unspecified | GI50 | > | 10 | nM | 17326683 | |
NPT2 | Others | Unspecified | TGI | = | 363.08 | nM | 17326683 | |
NPT2 | Others | Unspecified | LC50 | > | 100000 | nM | 17326683 | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | = | 1513.56 | nM | 17326683 |
NPT457 | Cell Line | BT-549 | Homo sapiens | TGI | = | 13182.57 | nM | 17326683 |
NPT457 | Cell Line | BT-549 | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | = | 3235.94 | nM | 17326683 |
NPT396 | Cell Line | T47D | Homo sapiens | TGI | > | 100000 | nM | 17326683 |
NPT396 | Cell Line | T47D | Homo sapiens | LC50 | > | 100000 | nM | 17326683 |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | = | 123.03 | nM | 17326683 |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | TGI | = | 1949.84 | nM | 17326683 |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | LC50 | = | 8709.64 | nM | 17326683 |
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 NPC158784 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 |
---|---|---|
0.993 | High Similarity | NPC302915 |
0.993 | High Similarity | NPC2745 |
0.9861 | High Similarity | NPC325860 |
0.9861 | High Similarity | NPC157783 |
0.986 | High Similarity | NPC195561 |
0.9859 | High Similarity | NPC212142 |
0.9448 | High Similarity | NPC473876 |
0.9379 | High Similarity | NPC474397 |
0.9375 | High Similarity | NPC90645 |
0.9375 | High Similarity | NPC472457 |
0.9324 | High Similarity | NPC160196 |
0.931 | High Similarity | NPC233980 |
0.9306 | High Similarity | NPC473845 |
0.9241 | High Similarity | NPC469557 |
0.9231 | High Similarity | NPC35216 |
0.92 | High Similarity | NPC80918 |
0.92 | High Similarity | NPC188578 |
0.9172 | High Similarity | NPC473108 |
0.9172 | High Similarity | NPC50250 |
0.9167 | High Similarity | NPC2613 |
0.9167 | High Similarity | NPC475891 |
0.9167 | High Similarity | NPC59841 |
0.9167 | High Similarity | NPC204347 |
0.9167 | High Similarity | NPC323126 |
0.9116 | High Similarity | NPC21776 |
0.9116 | High Similarity | NPC101376 |
0.9116 | High Similarity | NPC16269 |
0.9097 | High Similarity | NPC471389 |
0.9097 | High Similarity | NPC265075 |
0.9091 | High Similarity | NPC260741 |
0.9091 | High Similarity | NPC471388 |
0.9091 | High Similarity | NPC70682 |
0.9085 | High Similarity | NPC472800 |
0.906 | High Similarity | NPC477612 |
0.9048 | High Similarity | NPC260397 |
0.9041 | High Similarity | NPC469795 |
0.9041 | High Similarity | NPC280092 |
0.9041 | High Similarity | NPC45257 |
0.9041 | High Similarity | NPC63879 |
0.9041 | High Similarity | NPC93323 |
0.9041 | High Similarity | NPC12641 |
0.9028 | High Similarity | NPC259519 |
0.9028 | High Similarity | NPC198038 |
0.9014 | High Similarity | NPC61946 |
0.8993 | High Similarity | NPC211561 |
0.898 | High Similarity | NPC221318 |
0.898 | High Similarity | NPC181615 |
0.8973 | High Similarity | NPC102044 |
0.8973 | High Similarity | NPC85264 |
0.8973 | High Similarity | NPC47633 |
0.8973 | High Similarity | NPC474104 |
0.8973 | High Similarity | NPC477616 |
0.8966 | High Similarity | NPC87725 |
0.8966 | High Similarity | NPC178054 |
0.8966 | High Similarity | NPC263261 |
0.8958 | High Similarity | NPC127218 |
0.8958 | High Similarity | NPC245207 |
0.8958 | High Similarity | NPC184613 |
0.8958 | High Similarity | NPC32630 |
0.8958 | High Similarity | NPC319647 |
0.8958 | High Similarity | NPC25966 |
0.8951 | High Similarity | NPC248727 |
0.8951 | High Similarity | NPC162659 |
0.8951 | High Similarity | NPC227503 |
0.8951 | High Similarity | NPC173660 |
0.8951 | High Similarity | NPC302701 |
0.8951 | High Similarity | NPC470802 |
0.8951 | High Similarity | NPC306441 |
0.8951 | High Similarity | NPC270456 |
0.8951 | High Similarity | NPC265433 |
0.8951 | High Similarity | NPC269091 |
0.8951 | High Similarity | NPC474639 |
0.8951 | High Similarity | NPC16435 |
0.8951 | High Similarity | NPC230734 |
0.8919 | High Similarity | NPC471608 |
0.8919 | High Similarity | NPC112251 |
0.8904 | High Similarity | NPC107161 |
0.8897 | High Similarity | NPC184797 |
0.8897 | High Similarity | NPC266197 |
0.8897 | High Similarity | NPC291101 |
0.8897 | High Similarity | NPC27495 |
0.8897 | High Similarity | NPC309124 |
0.8897 | High Similarity | NPC234568 |
0.8889 | High Similarity | NPC276490 |
0.8889 | High Similarity | NPC211549 |
0.8889 | High Similarity | NPC474282 |
0.8889 | High Similarity | NPC477938 |
0.8889 | High Similarity | NPC103976 |
0.8889 | High Similarity | NPC326797 |
0.8889 | High Similarity | NPC102904 |
0.8889 | High Similarity | NPC107551 |
0.8889 | High Similarity | NPC176051 |
0.8881 | High Similarity | NPC195022 |
0.8881 | High Similarity | NPC164787 |
0.8881 | High Similarity | NPC474206 |
0.8881 | High Similarity | NPC112246 |
0.8881 | High Similarity | NPC121812 |
0.8881 | High Similarity | NPC151224 |
0.8881 | High Similarity | NPC470356 |
0.8881 | High Similarity | NPC94750 |
0.8881 | High Similarity | NPC234333 |
0.8881 | High Similarity | NPC260898 |
0.8881 | High Similarity | NPC473413 |
0.8881 | High Similarity | NPC112939 |
0.8881 | High Similarity | NPC47398 |
0.8873 | High Similarity | NPC263064 |
0.8859 | High Similarity | NPC170103 |
0.8859 | High Similarity | NPC204770 |
0.8859 | High Similarity | NPC108811 |
0.8859 | High Similarity | NPC236202 |
0.8859 | High Similarity | NPC202742 |
0.8859 | High Similarity | NPC82917 |
0.8859 | High Similarity | NPC263940 |
0.8859 | High Similarity | NPC70409 |
0.8859 | High Similarity | NPC18185 |
0.8859 | High Similarity | NPC58190 |
0.8859 | High Similarity | NPC262911 |
0.8859 | High Similarity | NPC294558 |
0.8844 | High Similarity | NPC258083 |
0.8836 | High Similarity | NPC71046 |
0.8836 | High Similarity | NPC247291 |
0.8828 | High Similarity | NPC232164 |
0.8828 | High Similarity | NPC473739 |
0.8828 | High Similarity | NPC6300 |
0.8828 | High Similarity | NPC230124 |
0.8828 | High Similarity | NPC236306 |
0.8828 | High Similarity | NPC114171 |
0.8828 | High Similarity | NPC475836 |
0.8828 | High Similarity | NPC19869 |
0.8819 | High Similarity | NPC327735 |
0.8819 | High Similarity | NPC472334 |
0.8819 | High Similarity | NPC68292 |
0.8819 | High Similarity | NPC126101 |
0.8819 | High Similarity | NPC472336 |
0.8819 | High Similarity | NPC234952 |
0.8816 | High Similarity | NPC21902 |
0.8811 | High Similarity | NPC317380 |
0.8811 | High Similarity | NPC478085 |
0.8808 | High Similarity | NPC183380 |
0.8808 | High Similarity | NPC469706 |
0.8808 | High Similarity | NPC260781 |
0.8808 | High Similarity | NPC218041 |
0.8808 | High Similarity | NPC182368 |
0.8808 | High Similarity | NPC145979 |
0.8808 | High Similarity | NPC9933 |
0.8808 | High Similarity | NPC469707 |
0.8808 | High Similarity | NPC185955 |
0.8808 | High Similarity | NPC225815 |
0.8808 | High Similarity | NPC214326 |
0.88 | High Similarity | NPC227516 |
0.88 | High Similarity | NPC20757 |
0.8792 | High Similarity | NPC324492 |
0.8792 | High Similarity | NPC475872 |
0.8792 | High Similarity | NPC96576 |
0.8792 | High Similarity | NPC317053 |
0.8776 | High Similarity | NPC186033 |
0.8776 | High Similarity | NPC175838 |
0.8767 | High Similarity | NPC34431 |
0.8767 | High Similarity | NPC73505 |
0.8767 | High Similarity | NPC308768 |
0.8767 | High Similarity | NPC295719 |
0.8767 | High Similarity | NPC254759 |
0.8767 | High Similarity | NPC165026 |
0.8767 | High Similarity | NPC160283 |
0.8767 | High Similarity | NPC12668 |
0.8767 | High Similarity | NPC22317 |
0.8759 | High Similarity | NPC242715 |
0.8759 | High Similarity | NPC266006 |
0.8759 | High Similarity | NPC56329 |
0.8758 | High Similarity | NPC78809 |
0.875 | High Similarity | NPC327382 |
0.875 | High Similarity | NPC313081 |
0.875 | High Similarity | NPC472337 |
0.875 | High Similarity | NPC256262 |
0.8742 | High Similarity | NPC476969 |
0.8742 | High Similarity | NPC44452 |
0.8741 | High Similarity | NPC11060 |
0.8741 | High Similarity | NPC92805 |
0.8741 | High Similarity | NPC475840 |
0.8733 | High Similarity | NPC327412 |
0.8733 | High Similarity | NPC320970 |
0.8733 | High Similarity | NPC328567 |
0.8733 | High Similarity | NPC320671 |
0.8732 | High Similarity | NPC103799 |
0.8716 | High Similarity | NPC469630 |
0.8707 | High Similarity | NPC311530 |
0.8701 | High Similarity | NPC159922 |
0.8699 | High Similarity | NPC220344 |
0.8699 | High Similarity | NPC212942 |
0.8699 | High Similarity | NPC292882 |
0.8699 | High Similarity | NPC243996 |
0.8699 | High Similarity | NPC105847 |
0.8699 | High Similarity | NPC29868 |
0.8699 | High Similarity | NPC22517 |
0.8699 | High Similarity | NPC218131 |
0.8699 | High Similarity | NPC243759 |
0.8699 | High Similarity | NPC132804 |
0.8699 | High Similarity | NPC79622 |
0.8699 | High Similarity | NPC275061 |
0.8693 | High Similarity | NPC226809 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC158784 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 |
---|---|---|---|
0.8671 | High Similarity | NPD1613 | Approved |
0.8671 | High Similarity | NPD1612 | Clinical (unspecified phase) |
0.8531 | High Similarity | NPD6410 | Clinical (unspecified phase) |
0.8531 | High Similarity | NPD4907 | Clinical (unspecified phase) |
0.8462 | Intermediate Similarity | NPD3027 | Phase 3 |
0.8456 | Intermediate Similarity | NPD6674 | Discontinued |
0.8392 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.8392 | Intermediate Similarity | NPD4908 | Phase 1 |
0.8333 | Intermediate Similarity | NPD4625 | Phase 3 |
0.8322 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.8182 | Intermediate Similarity | NPD5844 | Phase 1 |
0.8092 | Intermediate Similarity | NPD5698 | Clinical (unspecified phase) |
0.8042 | Intermediate Similarity | NPD4749 | Approved |
0.8028 | Intermediate Similarity | NPD1610 | Phase 2 |
0.8 | Intermediate Similarity | NPD6917 | Clinical (unspecified phase) |
0.7945 | Intermediate Similarity | NPD2861 | Phase 2 |
0.7919 | Intermediate Similarity | NPD3620 | Phase 2 |
0.7919 | Intermediate Similarity | NPD3619 | Clinical (unspecified phase) |
0.7904 | Intermediate Similarity | NPD7228 | Approved |
0.7895 | Intermediate Similarity | NPD6100 | Approved |
0.7895 | Intermediate Similarity | NPD6099 | Approved |
0.7888 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7826 | Intermediate Similarity | NPD37 | Approved |
0.7826 | Intermediate Similarity | NPD1934 | Approved |
0.7805 | Intermediate Similarity | NPD6234 | Discontinued |
0.7791 | Intermediate Similarity | NPD4966 | Approved |
0.7791 | Intermediate Similarity | NPD4967 | Phase 2 |
0.7791 | Intermediate Similarity | NPD4965 | Approved |
0.7784 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7784 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7784 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7748 | Intermediate Similarity | NPD5735 | Approved |
0.774 | Intermediate Similarity | NPD8651 | Approved |
0.774 | Intermediate Similarity | NPD6696 | Suspended |
0.7701 | Intermediate Similarity | NPD4663 | Approved |
0.7692 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7688 | Intermediate Similarity | NPD1653 | Approved |
0.7683 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.7682 | Intermediate Similarity | NPD4060 | Phase 1 |
0.7657 | Intermediate Similarity | NPD7906 | Approved |
0.7651 | Intermediate Similarity | NPD5494 | Approved |
0.7633 | Intermediate Similarity | NPD7473 | Discontinued |
0.7632 | Intermediate Similarity | NPD5123 | Clinical (unspecified phase) |
0.7632 | Intermediate Similarity | NPD5124 | Phase 1 |
0.7622 | Intermediate Similarity | NPD1548 | Phase 1 |
0.761 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7605 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7602 | Intermediate Similarity | NPD7074 | Phase 3 |
0.7561 | Intermediate Similarity | NPD2801 | Approved |
0.756 | Intermediate Similarity | NPD6232 | Discontinued |
0.756 | Intermediate Similarity | NPD3051 | Approved |
0.7544 | Intermediate Similarity | NPD7054 | Approved |
0.7529 | Intermediate Similarity | NPD7311 | Approved |
0.7529 | Intermediate Similarity | NPD4578 | Approved |
0.7529 | Intermediate Similarity | NPD7310 | Approved |
0.7529 | Intermediate Similarity | NPD7312 | Approved |
0.7529 | Intermediate Similarity | NPD7313 | Approved |
0.7529 | Intermediate Similarity | NPD4577 | Approved |
0.7515 | Intermediate Similarity | NPD2970 | Approved |
0.7515 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.7515 | Intermediate Similarity | NPD2969 | Approved |
0.7514 | Intermediate Similarity | NPD7240 | Approved |
0.75 | Intermediate Similarity | NPD8127 | Discontinued |
0.75 | Intermediate Similarity | NPD7472 | Approved |
0.75 | Intermediate Similarity | NPD6959 | Discontinued |
0.7486 | Intermediate Similarity | NPD7309 | Approved |
0.7485 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7471 | Intermediate Similarity | NPD2489 | Approved |
0.7471 | Intermediate Similarity | NPD7549 | Discontinued |
0.7471 | Intermediate Similarity | NPD27 | Approved |
0.7467 | Intermediate Similarity | NPD3018 | Phase 2 |
0.7443 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.7432 | Intermediate Similarity | NPD5327 | Phase 3 |
0.7419 | Intermediate Similarity | NPD4538 | Approved |
0.7419 | Intermediate Similarity | NPD4537 | Clinical (unspecified phase) |
0.7419 | Intermediate Similarity | NPD4536 | Approved |
0.7413 | Intermediate Similarity | NPD6671 | Approved |
0.7413 | Intermediate Similarity | NPD7157 | Approved |
0.7412 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7394 | Intermediate Similarity | NPD5283 | Phase 1 |
0.7391 | Intermediate Similarity | NPD4160 | Clinical (unspecified phase) |
0.7391 | Intermediate Similarity | NPD7447 | Phase 1 |
0.7389 | Intermediate Similarity | NPD5762 | Approved |
0.7389 | Intermediate Similarity | NPD5763 | Approved |
0.7371 | Intermediate Similarity | NPD7808 | Phase 3 |
0.7368 | Intermediate Similarity | NPD7095 | Approved |
0.7361 | Intermediate Similarity | NPD7340 | Approved |
0.7355 | Intermediate Similarity | NPD6353 | Approved |
0.7355 | Intermediate Similarity | NPD4097 | Suspended |
0.7353 | Intermediate Similarity | NPD3787 | Discontinued |
0.7338 | Intermediate Similarity | NPD4140 | Approved |
0.7333 | Intermediate Similarity | NPD3094 | Phase 2 |
0.7329 | Intermediate Similarity | NPD7213 | Phase 3 |
0.7329 | Intermediate Similarity | NPD7212 | Phase 2 |
0.7321 | Intermediate Similarity | NPD7075 | Discontinued |
0.7321 | Intermediate Similarity | NPD7975 | Clinical (unspecified phase) |
0.7315 | Intermediate Similarity | NPD2982 | Phase 2 |
0.7315 | Intermediate Similarity | NPD3600 | Clinical (unspecified phase) |
0.7315 | Intermediate Similarity | NPD2983 | Phase 2 |
0.7314 | Intermediate Similarity | NPD6559 | Discontinued |
0.7314 | Intermediate Similarity | NPD7251 | Discontinued |
0.7297 | Intermediate Similarity | NPD1091 | Approved |
0.7288 | Intermediate Similarity | NPD8054 | Approved |
0.7288 | Intermediate Similarity | NPD8053 | Approved |
0.7283 | Intermediate Similarity | NPD3818 | Discontinued |
0.7278 | Intermediate Similarity | NPD7266 | Discontinued |
0.7273 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.7267 | Intermediate Similarity | NPD5058 | Phase 3 |
0.7262 | Intermediate Similarity | NPD3882 | Suspended |
0.7261 | Intermediate Similarity | NPD5588 | Approved |
0.7261 | Intermediate Similarity | NPD5960 | Phase 3 |
0.7257 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.7257 | Intermediate Similarity | NPD6797 | Phase 2 |
0.725 | Intermediate Similarity | NPD4628 | Phase 3 |
0.725 | Intermediate Similarity | NPD7466 | Approved |
0.7248 | Intermediate Similarity | NPD2981 | Phase 2 |
0.7246 | Intermediate Similarity | NPD7096 | Clinical (unspecified phase) |
0.7246 | Intermediate Similarity | NPD5929 | Approved |
0.7246 | Intermediate Similarity | NPD7819 | Suspended |
0.7246 | Intermediate Similarity | NPD8455 | Phase 2 |
0.7246 | Intermediate Similarity | NPD1465 | Phase 2 |
0.7241 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.7239 | Intermediate Similarity | NPD5261 | Clinical (unspecified phase) |
0.7229 | Intermediate Similarity | NPD6072 | Discontinued |
0.7229 | Intermediate Similarity | NPD7615 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD1511 | Approved |
0.7222 | Intermediate Similarity | NPD7040 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD7041 | Phase 2 |
0.7219 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.7219 | Intermediate Similarity | NPD7831 | Phase 2 |
0.7219 | Intermediate Similarity | NPD7832 | Clinical (unspecified phase) |
0.7219 | Intermediate Similarity | NPD7833 | Phase 2 |
0.7212 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7208 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.7202 | Intermediate Similarity | NPD3817 | Phase 2 |
0.7197 | Intermediate Similarity | NPD7097 | Phase 1 |
0.7188 | Intermediate Similarity | NPD5177 | Phase 3 |
0.7188 | Intermediate Similarity | NPD1652 | Phase 2 |
0.7184 | Intermediate Similarity | NPD3751 | Discontinued |
0.7181 | Intermediate Similarity | NPD3092 | Approved |
0.7179 | Intermediate Similarity | NPD3657 | Discovery |
0.7178 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.717 | Intermediate Similarity | NPD2029 | Clinical (unspecified phase) |
0.716 | Intermediate Similarity | NPD7768 | Phase 2 |
0.716 | Intermediate Similarity | NPD7124 | Phase 2 |
0.7153 | Intermediate Similarity | NPD1398 | Phase 1 |
0.7152 | Intermediate Similarity | NPD6028 | Clinical (unspecified phase) |
0.7152 | Intermediate Similarity | NPD6029 | Clinical (unspecified phase) |
0.7151 | Intermediate Similarity | NPD7229 | Phase 3 |
0.7151 | Intermediate Similarity | NPD6071 | Discontinued |
0.7143 | Intermediate Similarity | NPD3892 | Phase 2 |
0.7143 | Intermediate Similarity | NPD6331 | Phase 2 |
0.7143 | Intermediate Similarity | NPD7741 | Discontinued |
0.7143 | Intermediate Similarity | NPD4110 | Phase 3 |
0.7143 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD4109 | Clinical (unspecified phase) |
0.7135 | Intermediate Similarity | NPD8312 | Approved |
0.7135 | Intermediate Similarity | NPD8313 | Approved |
0.7134 | Intermediate Similarity | NPD1940 | Clinical (unspecified phase) |
0.7134 | Intermediate Similarity | NPD1512 | Approved |
0.7133 | Intermediate Similarity | NPD228 | Approved |
0.7127 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7125 | Intermediate Similarity | NPD2424 | Discontinued |
0.7115 | Intermediate Similarity | NPD2238 | Phase 2 |
0.7108 | Intermediate Similarity | NPD4005 | Discontinued |
0.7101 | Intermediate Similarity | NPD2560 | Approved |
0.7101 | Intermediate Similarity | NPD2563 | Approved |
0.7101 | Intermediate Similarity | NPD6374 | Clinical (unspecified phase) |
0.7099 | Intermediate Similarity | NPD5307 | Clinical (unspecified phase) |
0.7099 | Intermediate Similarity | NPD2677 | Approved |
0.7097 | Intermediate Similarity | NPD7985 | Registered |
0.7097 | Intermediate Similarity | NPD7237 | Clinical (unspecified phase) |
0.7083 | Intermediate Similarity | NPD7843 | Approved |
0.7073 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7073 | Intermediate Similarity | NPD7446 | Clinical (unspecified phase) |
0.707 | Intermediate Similarity | NPD6355 | Discontinued |
0.7067 | Intermediate Similarity | NPD3705 | Approved |
0.7066 | Intermediate Similarity | NPD4675 | Approved |
0.7066 | Intermediate Similarity | NPD6599 | Discontinued |
0.7066 | Intermediate Similarity | NPD4678 | Approved |
0.7063 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.7063 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD4624 | Approved |
0.7047 | Intermediate Similarity | NPD5125 | Phase 3 |
0.7047 | Intermediate Similarity | NPD5126 | Approved |
0.7045 | Intermediate Similarity | NPD8156 | Discontinued |
0.7042 | Intermediate Similarity | NPD2684 | Approved |
0.7037 | Intermediate Similarity | NPD8166 | Discontinued |
0.7037 | Intermediate Similarity | NPD7680 | Approved |
0.7037 | Intermediate Similarity | NPD3750 | Approved |
0.7035 | Intermediate Similarity | NPD4666 | Phase 3 |
0.703 | Intermediate Similarity | NPD7314 | Clinical (unspecified phase) |
0.7027 | Intermediate Similarity | NPD3091 | Approved |
0.7024 | Intermediate Similarity | NPD7411 | Suspended |
0.7021 | Intermediate Similarity | NPD2494 | Approved |
0.7021 | Intermediate Similarity | NPD2493 | Approved |
0.7019 | Intermediate Similarity | NPD1549 | Phase 2 |
0.7006 | Intermediate Similarity | NPD6055 | Clinical (unspecified phase) |
0.7006 | Intermediate Similarity | NPD1558 | Phase 1 |
0.7 | Intermediate Similarity | NPD4582 | Approved |
PubChem CID   | 16116472 |
ChEMBL   | CHEMBL220472 |
ZINC   |
Molecular Weight:   | 494.27 |
ALogP:   | 1.8086 |
MLogP:   | 4.1 |
XLogP:   | 5.576 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 99.38 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 4 |
# Rings:   | 4 |
# Heavy Atoms:   | 36 |