Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO23150 | Anemone obtusiloba | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO21699 | Delphinium majus | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO20599 | Croton glabellus | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO20267 | Pternistria bispina | NA | NA | NA | UNPD* | |||
NPO21754 | Diplosoma virens | Species | Didemnidae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 27925.44 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 21330.45 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 24154.61 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 18450.15 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 16519.62 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 29308.93 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 24099.05 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 20989.4 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 22080.05 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 13835.66 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 31188.9 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 50582.47 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 24210.29 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 33342.64 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 40831.94 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 19230.92 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 20044.72 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 21281.39 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 23496.33 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 34914.03 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 19098.53 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 18197.01 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 10327.61 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 36897.76 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 20183.66 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 31188.9 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 16443.72 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 45498.81 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 35563.13 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 19998.62 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 19319.68 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 36391.5 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 14028.14 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 12331.05 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 24490.63 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 15346.17 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 36307.81 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 14288.94 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 61235.04 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 32062.69 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 20701.41 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 18923.44 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 35727.28 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 14521.12 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 16032.45 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 38994.2 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 12473.84 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 22855.99 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 36475.39 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 22961.49 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 24378.11 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 2228.44 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 18967.06 | 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 NPC98519 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 |
---|---|---|
0.9649 | High Similarity | NPC130953 |
0.9298 | High Similarity | NPC189700 |
0.8689 | High Similarity | NPC473737 |
0.8305 | Intermediate Similarity | NPC51846 |
0.8095 | Intermediate Similarity | NPC2328 |
0.8 | Intermediate Similarity | NPC150717 |
0.7969 | Intermediate Similarity | NPC471611 |
0.7966 | Intermediate Similarity | NPC218486 |
0.7857 | Intermediate Similarity | NPC478194 |
0.7857 | Intermediate Similarity | NPC478191 |
0.7857 | Intermediate Similarity | NPC478193 |
0.7857 | Intermediate Similarity | NPC478195 |
0.7857 | Intermediate Similarity | NPC478196 |
0.7857 | Intermediate Similarity | NPC478192 |
0.7794 | Intermediate Similarity | NPC59558 |
0.7778 | Intermediate Similarity | NPC309408 |
0.7761 | Intermediate Similarity | NPC287705 |
0.7727 | Intermediate Similarity | NPC37382 |
0.7705 | Intermediate Similarity | NPC221763 |
0.7627 | Intermediate Similarity | NPC191643 |
0.7619 | Intermediate Similarity | NPC133600 |
0.7586 | Intermediate Similarity | NPC15789 |
0.7581 | Intermediate Similarity | NPC135863 |
0.7581 | Intermediate Similarity | NPC129150 |
0.7576 | Intermediate Similarity | NPC273600 |
0.7538 | Intermediate Similarity | NPC179087 |
0.7538 | Intermediate Similarity | NPC475073 |
0.7538 | Intermediate Similarity | NPC44343 |
0.7538 | Intermediate Similarity | NPC210303 |
0.75 | Intermediate Similarity | NPC474823 |
0.7465 | Intermediate Similarity | NPC470686 |
0.746 | Intermediate Similarity | NPC254095 |
0.746 | Intermediate Similarity | NPC223679 |
0.7419 | Intermediate Similarity | NPC230296 |
0.7391 | Intermediate Similarity | NPC475004 |
0.7361 | Intermediate Similarity | NPC161038 |
0.7353 | Intermediate Similarity | NPC132286 |
0.7344 | Intermediate Similarity | NPC82465 |
0.7313 | Intermediate Similarity | NPC476589 |
0.7313 | Intermediate Similarity | NPC471566 |
0.7313 | Intermediate Similarity | NPC282760 |
0.7313 | Intermediate Similarity | NPC470123 |
0.7313 | Intermediate Similarity | NPC471565 |
0.7302 | Intermediate Similarity | NPC293437 |
0.7302 | Intermediate Similarity | NPC294938 |
0.7302 | Intermediate Similarity | NPC249850 |
0.7288 | Intermediate Similarity | NPC221467 |
0.7273 | Intermediate Similarity | NPC68110 |
0.726 | Intermediate Similarity | NPC470705 |
0.7258 | Intermediate Similarity | NPC173157 |
0.7258 | Intermediate Similarity | NPC478117 |
0.7246 | Intermediate Similarity | NPC238223 |
0.7206 | Intermediate Similarity | NPC475555 |
0.7206 | Intermediate Similarity | NPC146811 |
0.7206 | Intermediate Similarity | NPC475675 |
0.7188 | Intermediate Similarity | NPC21946 |
0.7183 | Intermediate Similarity | NPC316185 |
0.7167 | Intermediate Similarity | NPC43053 |
0.7164 | Intermediate Similarity | NPC475618 |
0.7162 | Intermediate Similarity | NPC275530 |
0.7119 | Intermediate Similarity | NPC234084 |
0.7119 | Intermediate Similarity | NPC126184 |
0.7101 | Intermediate Similarity | NPC225272 |
0.7097 | Intermediate Similarity | NPC478120 |
0.7077 | Intermediate Similarity | NPC302564 |
0.7077 | Intermediate Similarity | NPC97570 |
0.7059 | Intermediate Similarity | NPC7940 |
0.7059 | Intermediate Similarity | NPC471556 |
0.7059 | Intermediate Similarity | NPC182794 |
0.7059 | Intermediate Similarity | NPC133904 |
0.7015 | Intermediate Similarity | NPC132243 |
0.7 | Intermediate Similarity | NPC477117 |
0.7 | Intermediate Similarity | NPC236338 |
0.7 | Intermediate Similarity | NPC63873 |
0.6986 | Remote Similarity | NPC315843 |
0.6957 | Remote Similarity | NPC276299 |
0.6957 | Remote Similarity | NPC470033 |
0.6949 | Remote Similarity | NPC90490 |
0.6949 | Remote Similarity | NPC128520 |
0.6944 | Remote Similarity | NPC293114 |
0.6944 | Remote Similarity | NPC178575 |
0.6923 | Remote Similarity | NPC474084 |
0.6912 | Remote Similarity | NPC470808 |
0.6901 | Remote Similarity | NPC470693 |
0.6866 | Remote Similarity | NPC151648 |
0.6866 | Remote Similarity | NPC26810 |
0.6866 | Remote Similarity | NPC15193 |
0.6857 | Remote Similarity | NPC122627 |
0.6849 | Remote Similarity | NPC316851 |
0.6849 | Remote Similarity | NPC284006 |
0.6833 | Remote Similarity | NPC82446 |
0.6825 | Remote Similarity | NPC151761 |
0.6825 | Remote Similarity | NPC159535 |
0.6818 | Remote Similarity | NPC286189 |
0.6812 | Remote Similarity | NPC131174 |
0.6812 | Remote Similarity | NPC19769 |
0.6812 | Remote Similarity | NPC96414 |
0.6812 | Remote Similarity | NPC220766 |
0.6806 | Remote Similarity | NPC202011 |
0.6806 | Remote Similarity | NPC476037 |
0.68 | Remote Similarity | NPC127118 |
0.68 | Remote Similarity | NPC209113 |
0.6769 | Remote Similarity | NPC474825 |
0.6765 | Remote Similarity | NPC474723 |
0.6765 | Remote Similarity | NPC474729 |
0.6757 | Remote Similarity | NPC107654 |
0.6757 | Remote Similarity | NPC114727 |
0.6757 | Remote Similarity | NPC476590 |
0.6721 | Remote Similarity | NPC275316 |
0.6714 | Remote Similarity | NPC201356 |
0.6714 | Remote Similarity | NPC248125 |
0.6714 | Remote Similarity | NPC191233 |
0.6714 | Remote Similarity | NPC315115 |
0.6711 | Remote Similarity | NPC315394 |
0.6667 | Remote Similarity | NPC151481 |
0.6667 | Remote Similarity | NPC315552 |
0.6667 | Remote Similarity | NPC475982 |
0.6667 | Remote Similarity | NPC474424 |
0.6667 | Remote Similarity | NPC327103 |
0.6667 | Remote Similarity | NPC41409 |
0.6667 | Remote Similarity | NPC260396 |
0.6623 | Remote Similarity | NPC473471 |
0.6622 | Remote Similarity | NPC329890 |
0.662 | Remote Similarity | NPC203335 |
0.6618 | Remote Similarity | NPC55376 |
0.6615 | Remote Similarity | NPC86948 |
0.6615 | Remote Similarity | NPC324224 |
0.6615 | Remote Similarity | NPC245002 |
0.6615 | Remote Similarity | NPC472808 |
0.6579 | Remote Similarity | NPC203277 |
0.6579 | Remote Similarity | NPC301207 |
0.6575 | Remote Similarity | NPC315597 |
0.6575 | Remote Similarity | NPC476012 |
0.6575 | Remote Similarity | NPC315285 |
0.6543 | Remote Similarity | NPC475706 |
0.6528 | Remote Similarity | NPC313444 |
0.65 | Remote Similarity | NPC474028 |
0.65 | Remote Similarity | NPC87137 |
0.65 | Remote Similarity | NPC474439 |
0.6494 | Remote Similarity | NPC125365 |
0.6494 | Remote Similarity | NPC473825 |
0.6494 | Remote Similarity | NPC68156 |
0.6494 | Remote Similarity | NPC474818 |
0.6494 | Remote Similarity | NPC51809 |
0.6494 | Remote Similarity | NPC49302 |
0.6494 | Remote Similarity | NPC176329 |
0.6471 | Remote Similarity | NPC429928 |
0.6471 | Remote Similarity | NPC476585 |
0.6471 | Remote Similarity | NPC79756 |
0.6438 | Remote Similarity | NPC236208 |
0.6429 | Remote Similarity | NPC90463 |
0.6429 | Remote Similarity | NPC260343 |
0.6429 | Remote Similarity | NPC475739 |
0.6429 | Remote Similarity | NPC147824 |
0.642 | Remote Similarity | NPC475714 |
0.6418 | Remote Similarity | NPC187770 |
0.641 | Remote Similarity | NPC279532 |
0.641 | Remote Similarity | NPC221095 |
0.641 | Remote Similarity | NPC279214 |
0.64 | Remote Similarity | NPC326126 |
0.64 | Remote Similarity | NPC12815 |
0.64 | Remote Similarity | NPC215745 |
0.64 | Remote Similarity | NPC329914 |
0.64 | Remote Similarity | NPC287878 |
0.64 | Remote Similarity | NPC238948 |
0.6386 | Remote Similarity | NPC211892 |
0.6379 | Remote Similarity | NPC57923 |
0.6377 | Remote Similarity | NPC263732 |
0.6364 | Remote Similarity | NPC238554 |
0.6364 | Remote Similarity | NPC68819 |
0.6364 | Remote Similarity | NPC188860 |
0.6364 | Remote Similarity | NPC225022 |
0.6351 | Remote Similarity | NPC329904 |
0.6351 | Remote Similarity | NPC473361 |
0.6351 | Remote Similarity | NPC316029 |
0.6341 | Remote Similarity | NPC161670 |
0.6338 | Remote Similarity | NPC478098 |
0.6338 | Remote Similarity | NPC478099 |
0.6333 | Remote Similarity | NPC26600 |
0.6333 | Remote Similarity | NPC270706 |
0.6333 | Remote Similarity | NPC47946 |
0.6329 | Remote Similarity | NPC99651 |
0.6324 | Remote Similarity | NPC222852 |
0.6324 | Remote Similarity | NPC322186 |
0.6322 | Remote Similarity | NPC59646 |
0.6322 | Remote Similarity | NPC29798 |
0.6322 | Remote Similarity | NPC282644 |
0.6316 | Remote Similarity | NPC8270 |
0.6316 | Remote Similarity | NPC281043 |
0.6316 | Remote Similarity | NPC177030 |
0.631 | Remote Similarity | NPC45409 |
0.6308 | Remote Similarity | NPC9611 |
0.6308 | Remote Similarity | NPC474127 |
0.6308 | Remote Similarity | NPC151923 |
0.6301 | Remote Similarity | NPC218477 |
0.6301 | Remote Similarity | NPC280374 |
0.6296 | Remote Similarity | NPC16321 |
0.6296 | Remote Similarity | NPC324170 |
0.629 | Remote Similarity | NPC137419 |
0.629 | Remote Similarity | NPC135698 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC98519 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 |
---|---|---|---|
0.6557 | Remote Similarity | NPD4220 | Pre-registration |
0.6418 | Remote Similarity | NPD69 | Approved |
0.6418 | Remote Similarity | NPD9119 | Approved |
0.6269 | Remote Similarity | NPD9118 | Approved |
0.6094 | Remote Similarity | NPD6927 | Phase 3 |
0.6076 | Remote Similarity | NPD4756 | Discovery |
0.6 | Remote Similarity | NPD9411 | Phase 1 |
0.5789 | Remote Similarity | NPD9115 | Approved |
0.5775 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5733 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD7838 | Discovery |
0.5714 | Remote Similarity | NPD5209 | Approved |
0.5647 | Remote Similarity | NPD7154 | Phase 3 |
0.5618 | Remote Similarity | NPD689 | Discontinued |
PubChem CID   | 5472800 |
ChEMBL   | CHEMBL465684 |
ZINC   |
Molecular Weight:   | 208.07 |
ALogP:   | 0.2403 |
MLogP:   | 2.23 |
XLogP:   | -0.069 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 66.76 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 1 |
# Heavy Atoms:   | 15 |