Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | IC50 | = | 33000 | nM | 22694318 |
NPT306 | Cell Line | PC-3 | Homo sapiens | IC50 | = | 7000 | nM | 20451378 |
NPT2 | Others | Unspecified | IC50 | = | 32000 | nM | 22705001 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 25000 | nM | 19604701 |
NPT2 | Others | Unspecified | IC50 | = | 24000 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 28000 | nM | 18426954 |
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 NPC10080 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 | NPC123908 |
0.95 | High Similarity | NPC47220 |
0.95 | High Similarity | NPC186332 |
0.9136 | High Similarity | NPC242233 |
0.8025 | Intermediate Similarity | NPC469880 |
0.8023 | Intermediate Similarity | NPC92633 |
0.8 | Intermediate Similarity | NPC477204 |
0.8 | Intermediate Similarity | NPC159092 |
0.7952 | Intermediate Similarity | NPC139712 |
0.7927 | Intermediate Similarity | NPC471225 |
0.7889 | Intermediate Similarity | NPC114172 |
0.7889 | Intermediate Similarity | NPC471324 |
0.7889 | Intermediate Similarity | NPC206679 |
0.7816 | Intermediate Similarity | NPC67081 |
0.7816 | Intermediate Similarity | NPC471223 |
0.7802 | Intermediate Similarity | NPC109406 |
0.7778 | Intermediate Similarity | NPC177668 |
0.7765 | Intermediate Similarity | NPC184208 |
0.7765 | Intermediate Similarity | NPC8538 |
0.775 | Intermediate Similarity | NPC477084 |
0.7711 | Intermediate Similarity | NPC477203 |
0.7692 | Intermediate Similarity | NPC476084 |
0.7692 | Intermediate Similarity | NPC476075 |
0.7667 | Intermediate Similarity | NPC133450 |
0.764 | Intermediate Similarity | NPC199382 |
0.764 | Intermediate Similarity | NPC74139 |
0.7634 | Intermediate Similarity | NPC300710 |
0.7625 | Intermediate Similarity | NPC469660 |
0.759 | Intermediate Similarity | NPC477202 |
0.7586 | Intermediate Similarity | NPC107498 |
0.7586 | Intermediate Similarity | NPC185949 |
0.7582 | Intermediate Similarity | NPC3952 |
0.7561 | Intermediate Similarity | NPC474758 |
0.7558 | Intermediate Similarity | NPC471325 |
0.7558 | Intermediate Similarity | NPC315731 |
0.7553 | Intermediate Similarity | NPC255410 |
0.7531 | Intermediate Similarity | NPC477087 |
0.7531 | Intermediate Similarity | NPC477086 |
0.7529 | Intermediate Similarity | NPC178277 |
0.7527 | Intermediate Similarity | NPC256368 |
0.75 | Intermediate Similarity | NPC269841 |
0.75 | Intermediate Similarity | NPC97516 |
0.75 | Intermediate Similarity | NPC315394 |
0.75 | Intermediate Similarity | NPC473944 |
0.7474 | Intermediate Similarity | NPC120299 |
0.7474 | Intermediate Similarity | NPC475332 |
0.747 | Intermediate Similarity | NPC285840 |
0.747 | Intermediate Similarity | NPC327041 |
0.7468 | Intermediate Similarity | NPC472266 |
0.7439 | Intermediate Similarity | NPC477085 |
0.7419 | Intermediate Similarity | NPC238090 |
0.7419 | Intermediate Similarity | NPC472196 |
0.7419 | Intermediate Similarity | NPC320552 |
0.7419 | Intermediate Similarity | NPC472195 |
0.7396 | Intermediate Similarity | NPC124181 |
0.7396 | Intermediate Similarity | NPC475653 |
0.7386 | Intermediate Similarity | NPC318468 |
0.7386 | Intermediate Similarity | NPC170377 |
0.7386 | Intermediate Similarity | NPC170286 |
0.7368 | Intermediate Similarity | NPC288350 |
0.7368 | Intermediate Similarity | NPC173329 |
0.7363 | Intermediate Similarity | NPC69713 |
0.7363 | Intermediate Similarity | NPC473151 |
0.7363 | Intermediate Similarity | NPC233997 |
0.7349 | Intermediate Similarity | NPC476355 |
0.7349 | Intermediate Similarity | NPC140287 |
0.7349 | Intermediate Similarity | NPC259599 |
0.7349 | Intermediate Similarity | NPC474551 |
0.7349 | Intermediate Similarity | NPC15499 |
0.7349 | Intermediate Similarity | NPC294434 |
0.7349 | Intermediate Similarity | NPC117746 |
0.734 | Intermediate Similarity | NPC159698 |
0.7333 | Intermediate Similarity | NPC474045 |
0.7333 | Intermediate Similarity | NPC261253 |
0.7333 | Intermediate Similarity | NPC220478 |
0.7333 | Intermediate Similarity | NPC471480 |
0.7326 | Intermediate Similarity | NPC471299 |
0.7326 | Intermediate Similarity | NPC270126 |
0.7317 | Intermediate Similarity | NPC475762 |
0.7317 | Intermediate Similarity | NPC133098 |
0.7294 | Intermediate Similarity | NPC84360 |
0.7294 | Intermediate Similarity | NPC316324 |
0.7294 | Intermediate Similarity | NPC57744 |
0.7292 | Intermediate Similarity | NPC100912 |
0.7292 | Intermediate Similarity | NPC153559 |
0.7284 | Intermediate Similarity | NPC151481 |
0.7284 | Intermediate Similarity | NPC101622 |
0.7263 | Intermediate Similarity | NPC281134 |
0.7253 | Intermediate Similarity | NPC316138 |
0.7253 | Intermediate Similarity | NPC313658 |
0.7253 | Intermediate Similarity | NPC478144 |
0.7253 | Intermediate Similarity | NPC102640 |
0.7245 | Intermediate Similarity | NPC219038 |
0.7241 | Intermediate Similarity | NPC469802 |
0.7241 | Intermediate Similarity | NPC474510 |
0.7241 | Intermediate Similarity | NPC474739 |
0.7234 | Intermediate Similarity | NPC248193 |
0.7229 | Intermediate Similarity | NPC474543 |
0.7229 | Intermediate Similarity | NPC238425 |
0.7229 | Intermediate Similarity | NPC472018 |
0.7229 | Intermediate Similarity | NPC222244 |
0.7229 | Intermediate Similarity | NPC185186 |
0.7229 | Intermediate Similarity | NPC16349 |
0.7229 | Intermediate Similarity | NPC327383 |
0.7222 | Intermediate Similarity | NPC474547 |
0.7222 | Intermediate Similarity | NPC471494 |
0.7222 | Intermediate Similarity | NPC197903 |
0.7222 | Intermediate Similarity | NPC215364 |
0.7222 | Intermediate Similarity | NPC99395 |
0.7216 | Intermediate Similarity | NPC473307 |
0.7216 | Intermediate Similarity | NPC72647 |
0.7216 | Intermediate Similarity | NPC107806 |
0.7209 | Intermediate Similarity | NPC128276 |
0.7204 | Intermediate Similarity | NPC475748 |
0.7204 | Intermediate Similarity | NPC179394 |
0.7204 | Intermediate Similarity | NPC144133 |
0.7204 | Intermediate Similarity | NPC327253 |
0.7195 | Intermediate Similarity | NPC4299 |
0.7195 | Intermediate Similarity | NPC316029 |
0.7195 | Intermediate Similarity | NPC37929 |
0.7195 | Intermediate Similarity | NPC64234 |
0.7195 | Intermediate Similarity | NPC315285 |
0.7191 | Intermediate Similarity | NPC16488 |
0.7191 | Intermediate Similarity | NPC116543 |
0.7191 | Intermediate Similarity | NPC44261 |
0.7191 | Intermediate Similarity | NPC474193 |
0.7191 | Intermediate Similarity | NPC12283 |
0.7188 | Intermediate Similarity | NPC301596 |
0.7188 | Intermediate Similarity | NPC299396 |
0.7188 | Intermediate Similarity | NPC172998 |
0.7176 | Intermediate Similarity | NPC123360 |
0.7174 | Intermediate Similarity | NPC106051 |
0.7174 | Intermediate Similarity | NPC106332 |
0.7172 | Intermediate Similarity | NPC471599 |
0.7172 | Intermediate Similarity | NPC473596 |
0.716 | Intermediate Similarity | NPC313444 |
0.716 | Intermediate Similarity | NPC470256 |
0.7159 | Intermediate Similarity | NPC301477 |
0.7159 | Intermediate Similarity | NPC79277 |
0.7159 | Intermediate Similarity | NPC471552 |
0.7159 | Intermediate Similarity | NPC112868 |
0.7159 | Intermediate Similarity | NPC475481 |
0.7159 | Intermediate Similarity | NPC281949 |
0.7159 | Intermediate Similarity | NPC25684 |
0.7159 | Intermediate Similarity | NPC473339 |
0.7157 | Intermediate Similarity | NPC473807 |
0.7143 | Intermediate Similarity | NPC204048 |
0.7143 | Intermediate Similarity | NPC284902 |
0.7143 | Intermediate Similarity | NPC315395 |
0.7143 | Intermediate Similarity | NPC316426 |
0.7143 | Intermediate Similarity | NPC50637 |
0.7143 | Intermediate Similarity | NPC54705 |
0.7143 | Intermediate Similarity | NPC102996 |
0.7128 | Intermediate Similarity | NPC221282 |
0.7128 | Intermediate Similarity | NPC166110 |
0.7126 | Intermediate Similarity | NPC477088 |
0.7126 | Intermediate Similarity | NPC271632 |
0.7125 | Intermediate Similarity | NPC469446 |
0.7113 | Intermediate Similarity | NPC475446 |
0.7113 | Intermediate Similarity | NPC311241 |
0.7111 | Intermediate Similarity | NPC160517 |
0.7111 | Intermediate Similarity | NPC186155 |
0.7111 | Intermediate Similarity | NPC78673 |
0.7108 | Intermediate Similarity | NPC163003 |
0.71 | Intermediate Similarity | NPC197736 |
0.7097 | Intermediate Similarity | NPC166919 |
0.7097 | Intermediate Similarity | NPC280833 |
0.7093 | Intermediate Similarity | NPC171204 |
0.7093 | Intermediate Similarity | NPC141789 |
0.7093 | Intermediate Similarity | NPC41780 |
0.7093 | Intermediate Similarity | NPC476028 |
0.7093 | Intermediate Similarity | NPC187568 |
0.7089 | Intermediate Similarity | NPC34883 |
0.7083 | Intermediate Similarity | NPC291709 |
0.7083 | Intermediate Similarity | NPC273197 |
0.7083 | Intermediate Similarity | NPC234339 |
0.7083 | Intermediate Similarity | NPC241407 |
0.7079 | Intermediate Similarity | NPC173609 |
0.7079 | Intermediate Similarity | NPC35556 |
0.7079 | Intermediate Similarity | NPC471218 |
0.7073 | Intermediate Similarity | NPC88877 |
0.7073 | Intermediate Similarity | NPC476591 |
0.7073 | Intermediate Similarity | NPC232812 |
0.7065 | Intermediate Similarity | NPC476600 |
0.7065 | Intermediate Similarity | NPC471056 |
0.7065 | Intermediate Similarity | NPC477959 |
0.7065 | Intermediate Similarity | NPC471055 |
0.7065 | Intermediate Similarity | NPC160138 |
0.7065 | Intermediate Similarity | NPC475087 |
0.7065 | Intermediate Similarity | NPC241054 |
0.7065 | Intermediate Similarity | NPC478145 |
0.7065 | Intermediate Similarity | NPC475703 |
0.7059 | Intermediate Similarity | NPC244166 |
0.7059 | Intermediate Similarity | NPC329852 |
0.7053 | Intermediate Similarity | NPC476300 |
0.7053 | Intermediate Similarity | NPC61201 |
0.7053 | Intermediate Similarity | NPC475657 |
0.7051 | Intermediate Similarity | NPC15193 |
0.7045 | Intermediate Similarity | NPC281132 |
0.7045 | Intermediate Similarity | NPC133226 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC10080 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 |
---|---|---|---|
0.7582 | Intermediate Similarity | NPD6698 | Approved |
0.7582 | Intermediate Similarity | NPD46 | Approved |
0.7391 | Intermediate Similarity | NPD7838 | Discovery |
0.7216 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.6887 | Remote Similarity | NPD6053 | Discontinued |
0.6813 | Remote Similarity | NPD7154 | Phase 3 |
0.6771 | Remote Similarity | NPD7983 | Approved |
0.6739 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6703 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6702 | Remote Similarity | NPD4250 | Approved |
0.6702 | Remote Similarity | NPD4251 | Approved |
0.67 | Remote Similarity | NPD7638 | Approved |
0.6667 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8039 | Approved |
0.6634 | Remote Similarity | NPD7640 | Approved |
0.6634 | Remote Similarity | NPD7639 | Approved |
0.6596 | Remote Similarity | NPD4249 | Approved |
0.6571 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6531 | Remote Similarity | NPD5778 | Approved |
0.6531 | Remote Similarity | NPD5779 | Approved |
0.6522 | Remote Similarity | NPD5209 | Approved |
0.6509 | Remote Similarity | NPD6686 | Approved |
0.65 | Remote Similarity | NPD7839 | Suspended |
0.6489 | Remote Similarity | NPD1694 | Approved |
0.6481 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD6648 | Approved |
0.6452 | Remote Similarity | NPD6110 | Phase 1 |
0.6429 | Remote Similarity | NPD7637 | Suspended |
0.6408 | Remote Similarity | NPD5344 | Discontinued |
0.6392 | Remote Similarity | NPD1695 | Approved |
0.6373 | Remote Similarity | NPD4225 | Approved |
0.6327 | Remote Similarity | NPD5785 | Approved |
0.6316 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.63 | Remote Similarity | NPD5282 | Discontinued |
0.625 | Remote Similarity | NPD6409 | Approved |
0.625 | Remote Similarity | NPD5330 | Approved |
0.625 | Remote Similarity | NPD7521 | Approved |
0.625 | Remote Similarity | NPD6684 | Approved |
0.625 | Remote Similarity | NPD7334 | Approved |
0.625 | Remote Similarity | NPD7146 | Approved |
0.6239 | Remote Similarity | NPD6371 | Approved |
0.6184 | Remote Similarity | NPD6927 | Phase 3 |
0.6154 | Remote Similarity | NPD4756 | Discovery |
0.6146 | Remote Similarity | NPD5363 | Approved |
0.6139 | Remote Similarity | NPD7900 | Approved |
0.6139 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.6139 | Remote Similarity | NPD7748 | Approved |
0.6129 | Remote Similarity | NPD4820 | Approved |
0.6129 | Remote Similarity | NPD4819 | Approved |
0.6129 | Remote Similarity | NPD4821 | Approved |
0.6129 | Remote Similarity | NPD4822 | Approved |
0.6125 | Remote Similarity | NPD8779 | Phase 3 |
0.6122 | Remote Similarity | NPD6903 | Approved |
0.6122 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6122 | Remote Similarity | NPD6672 | Approved |
0.6122 | Remote Similarity | NPD5737 | Approved |
0.6105 | Remote Similarity | NPD5362 | Discontinued |
0.6087 | Remote Similarity | NPD4271 | Approved |
0.6087 | Remote Similarity | NPD4268 | Approved |
0.6078 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD6101 | Approved |
0.6061 | Remote Similarity | NPD6051 | Approved |
0.6038 | Remote Similarity | NPD7632 | Discontinued |
0.6 | Remote Similarity | NPD6435 | Approved |
0.6 | Remote Similarity | NPD4269 | Approved |
0.6 | Remote Similarity | NPD4270 | Approved |
0.5983 | Remote Similarity | NPD7503 | Approved |
0.5983 | Remote Similarity | NPD8513 | Phase 3 |
0.5963 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.5962 | Remote Similarity | NPD7902 | Approved |
0.5941 | Remote Similarity | NPD5693 | Phase 1 |
0.5941 | Remote Similarity | NPD6411 | Approved |
0.5938 | Remote Similarity | NPD5332 | Approved |
0.5938 | Remote Similarity | NPD5331 | Approved |
0.593 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD5786 | Approved |
0.5918 | Remote Similarity | NPD6422 | Discontinued |
0.5914 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5913 | Remote Similarity | NPD7115 | Discovery |
0.5895 | Remote Similarity | NPD4790 | Discontinued |
0.5895 | Remote Similarity | NPD5369 | Approved |
0.5882 | Remote Similarity | NPD6399 | Phase 3 |
0.5882 | Remote Similarity | NPD7829 | Approved |
0.5882 | Remote Similarity | NPD7830 | Approved |
0.5872 | Remote Similarity | NPD6008 | Approved |
0.5859 | Remote Similarity | NPD1282 | Approved |
0.5847 | Remote Similarity | NPD8033 | Approved |
0.5847 | Remote Similarity | NPD8517 | Approved |
0.5847 | Remote Similarity | NPD8515 | Approved |
0.5847 | Remote Similarity | NPD8516 | Approved |
0.581 | Remote Similarity | NPD6083 | Phase 2 |
0.581 | Remote Similarity | NPD6084 | Phase 2 |
0.5804 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD4252 | Approved |
0.5789 | Remote Similarity | NPD5368 | Approved |
0.5789 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5784 | Remote Similarity | NPD7515 | Phase 2 |
0.5773 | Remote Similarity | NPD6695 | Phase 3 |
0.5769 | Remote Similarity | NPD5695 | Phase 3 |
0.5763 | Remote Similarity | NPD8377 | Approved |
0.5763 | Remote Similarity | NPD8294 | Approved |
0.5747 | Remote Similarity | NPD7331 | Phase 2 |
0.5743 | Remote Similarity | NPD6080 | Approved |
0.5743 | Remote Similarity | NPD6904 | Approved |
0.5743 | Remote Similarity | NPD6673 | Approved |
0.5726 | Remote Similarity | NPD7328 | Approved |
0.5726 | Remote Similarity | NPD7327 | Approved |
0.5714 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8444 | Approved |
0.5714 | Remote Similarity | NPD8378 | Approved |
0.5714 | Remote Similarity | NPD8380 | Approved |
0.5714 | Remote Similarity | NPD8296 | Approved |
0.5714 | Remote Similarity | NPD8379 | Approved |
0.5714 | Remote Similarity | NPD8335 | Approved |
0.57 | Remote Similarity | NPD7750 | Discontinued |
0.5682 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.568 | Remote Similarity | NPD7260 | Phase 2 |
0.5678 | Remote Similarity | NPD7516 | Approved |
0.5676 | Remote Similarity | NPD6412 | Phase 2 |
0.5664 | Remote Similarity | NPD2067 | Discontinued |
0.5656 | Remote Similarity | NPD7507 | Approved |
0.5641 | Remote Similarity | NPD7500 | Approved |
0.5636 | Remote Similarity | NPD5909 | Discontinued |
0.5631 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5631 | Remote Similarity | NPD6050 | Approved |
0.5625 | Remote Similarity | NPD4695 | Discontinued |
0.562 | Remote Similarity | NPD7642 | Approved |
0.5619 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD8074 | Phase 3 |
0.5607 | Remote Similarity | NPD5696 | Approved |
PubChem CID   | 72946415 |
ChEMBL   | CHEMBL3087308 |
ZINC   |
Molecular Weight:   | 712.42 |
ALogP:   | 2.2112 |
MLogP:   | 4.87 |
XLogP:   | 6.123 |
# Rotatable Bonds:   | 34 |
Polar Surface Area:   | 131.5 |
# H-Bond Aceptor:   | 10 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 51 |