Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | GI | = | 21.5 | % | DrugMatrix in vitro pharmacology data |
NPT65 | Cell Line | HepG2 | Homo sapiens | GI | = | 24 | % | DrugMatrix in vitro pharmacology data |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 20 | ug/ml | 23434131 |
NPT2 | Others | Unspecified | IC50 | > | 20 | ug/ml | 12828479 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 20 | ug/ml | 18359631 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 20 | ug/ml | 20427099 |
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 NPC329656 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 |
---|---|---|
0.9143 | High Similarity | NPC301525 |
0.8696 | High Similarity | NPC475310 |
0.8533 | High Similarity | NPC474894 |
0.8514 | High Similarity | NPC471537 |
0.8472 | Intermediate Similarity | NPC93213 |
0.8158 | Intermediate Similarity | NPC474739 |
0.8133 | Intermediate Similarity | NPC474005 |
0.8056 | Intermediate Similarity | NPC477084 |
0.8028 | Intermediate Similarity | NPC269841 |
0.7969 | Intermediate Similarity | NPC223604 |
0.7848 | Intermediate Similarity | NPC475622 |
0.7848 | Intermediate Similarity | NPC108045 |
0.7778 | Intermediate Similarity | NPC239373 |
0.7778 | Intermediate Similarity | NPC329989 |
0.7746 | Intermediate Similarity | NPC193029 |
0.7746 | Intermediate Similarity | NPC473357 |
0.7733 | Intermediate Similarity | NPC475861 |
0.7647 | Intermediate Similarity | NPC127824 |
0.7625 | Intermediate Similarity | NPC475989 |
0.76 | Intermediate Similarity | NPC471525 |
0.7564 | Intermediate Similarity | NPC617 |
0.7561 | Intermediate Similarity | NPC61527 |
0.7534 | Intermediate Similarity | NPC22301 |
0.7534 | Intermediate Similarity | NPC101622 |
0.7532 | Intermediate Similarity | NPC84360 |
0.7532 | Intermediate Similarity | NPC40049 |
0.7532 | Intermediate Similarity | NPC186109 |
0.75 | Intermediate Similarity | NPC472266 |
0.75 | Intermediate Similarity | NPC113639 |
0.7468 | Intermediate Similarity | NPC233332 |
0.7467 | Intermediate Similarity | NPC476709 |
0.7432 | Intermediate Similarity | NPC37929 |
0.7432 | Intermediate Similarity | NPC64234 |
0.7432 | Intermediate Similarity | NPC473361 |
0.7432 | Intermediate Similarity | NPC4299 |
0.7432 | Intermediate Similarity | NPC329904 |
0.7429 | Intermediate Similarity | NPC217940 |
0.7407 | Intermediate Similarity | NPC231601 |
0.7397 | Intermediate Similarity | NPC276290 |
0.7375 | Intermediate Similarity | NPC207188 |
0.7375 | Intermediate Similarity | NPC475481 |
0.7375 | Intermediate Similarity | NPC79277 |
0.7375 | Intermediate Similarity | NPC141810 |
0.7368 | Intermediate Similarity | NPC474551 |
0.7342 | Intermediate Similarity | NPC325869 |
0.7324 | Intermediate Similarity | NPC287744 |
0.7324 | Intermediate Similarity | NPC140233 |
0.7317 | Intermediate Similarity | NPC78673 |
0.7317 | Intermediate Similarity | NPC160517 |
0.7317 | Intermediate Similarity | NPC186155 |
0.7297 | Intermediate Similarity | NPC232812 |
0.725 | Intermediate Similarity | NPC469920 |
0.725 | Intermediate Similarity | NPC103634 |
0.7237 | Intermediate Similarity | NPC474543 |
0.7237 | Intermediate Similarity | NPC472018 |
0.7237 | Intermediate Similarity | NPC238425 |
0.7215 | Intermediate Similarity | NPC3852 |
0.7215 | Intermediate Similarity | NPC474341 |
0.7209 | Intermediate Similarity | NPC475748 |
0.7209 | Intermediate Similarity | NPC51653 |
0.72 | Intermediate Similarity | NPC469660 |
0.72 | Intermediate Similarity | NPC129630 |
0.7195 | Intermediate Similarity | NPC49208 |
0.7195 | Intermediate Similarity | NPC170377 |
0.7195 | Intermediate Similarity | NPC475842 |
0.7188 | Intermediate Similarity | NPC289388 |
0.7188 | Intermediate Similarity | NPC142103 |
0.7179 | Intermediate Similarity | NPC271070 |
0.7179 | Intermediate Similarity | NPC239127 |
0.7176 | Intermediate Similarity | NPC233997 |
0.7162 | Intermediate Similarity | NPC305698 |
0.7162 | Intermediate Similarity | NPC273508 |
0.7162 | Intermediate Similarity | NPC209327 |
0.7143 | Intermediate Similarity | NPC214315 |
0.7143 | Intermediate Similarity | NPC204048 |
0.7143 | Intermediate Similarity | NPC471480 |
0.7143 | Intermediate Similarity | NPC104644 |
0.7143 | Intermediate Similarity | NPC330016 |
0.7143 | Intermediate Similarity | NPC160540 |
0.7125 | Intermediate Similarity | NPC471740 |
0.7125 | Intermediate Similarity | NPC271632 |
0.7108 | Intermediate Similarity | NPC72464 |
0.7105 | Intermediate Similarity | NPC472254 |
0.7101 | Intermediate Similarity | NPC240206 |
0.7093 | Intermediate Similarity | NPC151770 |
0.7089 | Intermediate Similarity | NPC476703 |
0.7089 | Intermediate Similarity | NPC476325 |
0.7089 | Intermediate Similarity | NPC476439 |
0.7089 | Intermediate Similarity | NPC476264 |
0.7089 | Intermediate Similarity | NPC283619 |
0.7083 | Intermediate Similarity | NPC469723 |
0.7077 | Intermediate Similarity | NPC244452 |
0.7073 | Intermediate Similarity | NPC475936 |
0.7067 | Intermediate Similarity | NPC477449 |
0.7067 | Intermediate Similarity | NPC74722 |
0.7067 | Intermediate Similarity | NPC477448 |
0.7067 | Intermediate Similarity | NPC304690 |
0.7059 | Intermediate Similarity | NPC471739 |
0.7059 | Intermediate Similarity | NPC96663 |
0.7059 | Intermediate Similarity | NPC141699 |
0.7059 | Intermediate Similarity | NPC231889 |
0.7059 | Intermediate Similarity | NPC474765 |
0.7051 | Intermediate Similarity | NPC255060 |
0.7051 | Intermediate Similarity | NPC324762 |
0.7042 | Intermediate Similarity | NPC328776 |
0.7042 | Intermediate Similarity | NPC320305 |
0.7027 | Intermediate Similarity | NPC259299 |
0.7024 | Intermediate Similarity | NPC319795 |
0.7024 | Intermediate Similarity | NPC50362 |
0.7024 | Intermediate Similarity | NPC197903 |
0.7024 | Intermediate Similarity | NPC99395 |
0.7024 | Intermediate Similarity | NPC38468 |
0.7013 | Intermediate Similarity | NPC92909 |
0.7013 | Intermediate Similarity | NPC107783 |
0.7013 | Intermediate Similarity | NPC470237 |
0.7013 | Intermediate Similarity | NPC477085 |
0.7013 | Intermediate Similarity | NPC167145 |
0.7011 | Intermediate Similarity | NPC3952 |
0.7 | Intermediate Similarity | NPC83838 |
0.7 | Intermediate Similarity | NPC477089 |
0.7 | Intermediate Similarity | NPC11796 |
0.7 | Intermediate Similarity | NPC218817 |
0.7 | Intermediate Similarity | NPC143810 |
0.7 | Intermediate Similarity | NPC57664 |
0.6988 | Remote Similarity | NPC23748 |
0.6988 | Remote Similarity | NPC272814 |
0.6988 | Remote Similarity | NPC53867 |
0.6977 | Remote Similarity | NPC201046 |
0.6977 | Remote Similarity | NPC309656 |
0.6974 | Remote Similarity | NPC472955 |
0.6974 | Remote Similarity | NPC69462 |
0.697 | Remote Similarity | NPC170167 |
0.6962 | Remote Similarity | NPC474527 |
0.6962 | Remote Similarity | NPC170148 |
0.6962 | Remote Similarity | NPC471726 |
0.6962 | Remote Similarity | NPC469880 |
0.6962 | Remote Similarity | NPC474447 |
0.6957 | Remote Similarity | NPC165808 |
0.6951 | Remote Similarity | NPC184208 |
0.6951 | Remote Similarity | NPC286229 |
0.6951 | Remote Similarity | NPC315731 |
0.6951 | Remote Similarity | NPC112868 |
0.6951 | Remote Similarity | NPC8538 |
0.6951 | Remote Similarity | NPC25554 |
0.6944 | Remote Similarity | NPC54925 |
0.6941 | Remote Similarity | NPC137253 |
0.6941 | Remote Similarity | NPC311163 |
0.6941 | Remote Similarity | NPC50637 |
0.6923 | Remote Similarity | NPC190859 |
0.6923 | Remote Similarity | NPC167049 |
0.6923 | Remote Similarity | NPC469691 |
0.6923 | Remote Similarity | NPC107654 |
0.6923 | Remote Similarity | NPC474758 |
0.6914 | Remote Similarity | NPC622 |
0.6914 | Remote Similarity | NPC100906 |
0.6914 | Remote Similarity | NPC44083 |
0.6914 | Remote Similarity | NPC276647 |
0.6914 | Remote Similarity | NPC153987 |
0.6914 | Remote Similarity | NPC158565 |
0.6905 | Remote Similarity | NPC9868 |
0.6905 | Remote Similarity | NPC306951 |
0.6897 | Remote Similarity | NPC115179 |
0.6897 | Remote Similarity | NPC83423 |
0.6897 | Remote Similarity | NPC106040 |
0.6892 | Remote Similarity | NPC477982 |
0.6889 | Remote Similarity | NPC107476 |
0.6883 | Remote Similarity | NPC477087 |
0.6883 | Remote Similarity | NPC477086 |
0.6875 | Remote Similarity | NPC470240 |
0.6875 | Remote Similarity | NPC476794 |
0.6867 | Remote Similarity | NPC35556 |
0.6867 | Remote Similarity | NPC474291 |
0.6866 | Remote Similarity | NPC165755 |
0.686 | Remote Similarity | NPC476600 |
0.6854 | Remote Similarity | NPC212486 |
0.6849 | Remote Similarity | NPC328089 |
0.6849 | Remote Similarity | NPC68343 |
0.6849 | Remote Similarity | NPC34883 |
0.6848 | Remote Similarity | NPC471582 |
0.6842 | Remote Similarity | NPC296522 |
0.6842 | Remote Similarity | NPC144511 |
0.6842 | Remote Similarity | NPC265574 |
0.6842 | Remote Similarity | NPC473772 |
0.6842 | Remote Similarity | NPC261398 |
0.6842 | Remote Similarity | NPC16964 |
0.6842 | Remote Similarity | NPC107130 |
0.6842 | Remote Similarity | NPC199557 |
0.6835 | Remote Similarity | NPC475771 |
0.6835 | Remote Similarity | NPC469678 |
0.6835 | Remote Similarity | NPC199445 |
0.6835 | Remote Similarity | NPC469669 |
0.6835 | Remote Similarity | NPC12696 |
0.6835 | Remote Similarity | NPC474419 |
0.6829 | Remote Similarity | NPC233377 |
0.6829 | Remote Similarity | NPC474510 |
0.6829 | Remote Similarity | NPC269791 |
0.6829 | Remote Similarity | NPC472470 |
0.6829 | Remote Similarity | NPC473685 |
0.6824 | Remote Similarity | NPC474369 |
0.6824 | Remote Similarity | NPC471494 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC329656 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 |
---|---|---|---|
0.7714 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.7412 | Intermediate Similarity | NPD7838 | Discovery |
0.7024 | Intermediate Similarity | NPD1733 | Clinical (unspecified phase) |
0.6957 | Remote Similarity | NPD6648 | Approved |
0.6818 | Remote Similarity | NPD46 | Approved |
0.6818 | Remote Similarity | NPD6698 | Approved |
0.6742 | Remote Similarity | NPD7983 | Approved |
0.6705 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6705 | Remote Similarity | NPD6101 | Approved |
0.6625 | Remote Similarity | NPD8039 | Approved |
0.6622 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6588 | Remote Similarity | NPD7154 | Phase 3 |
0.6556 | Remote Similarity | NPD6411 | Approved |
0.6543 | Remote Similarity | NPD6933 | Approved |
0.6526 | Remote Similarity | NPD5344 | Discontinued |
0.6517 | Remote Similarity | NPD1695 | Approved |
0.65 | Remote Similarity | NPD6926 | Approved |
0.65 | Remote Similarity | NPD6924 | Approved |
0.6484 | Remote Similarity | NPD5778 | Approved |
0.6484 | Remote Similarity | NPD5779 | Approved |
0.6477 | Remote Similarity | NPD7524 | Approved |
0.6438 | Remote Similarity | NPD1145 | Discontinued |
0.6429 | Remote Similarity | NPD4822 | Approved |
0.6429 | Remote Similarity | NPD4820 | Approved |
0.6429 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD4821 | Approved |
0.6429 | Remote Similarity | NPD4819 | Approved |
0.6395 | Remote Similarity | NPD6695 | Phase 3 |
0.6353 | Remote Similarity | NPD5369 | Approved |
0.6322 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6279 | Remote Similarity | NPD5209 | Approved |
0.6279 | Remote Similarity | NPD6435 | Approved |
0.6264 | Remote Similarity | NPD3168 | Discontinued |
0.6235 | Remote Similarity | NPD6931 | Approved |
0.6235 | Remote Similarity | NPD6930 | Phase 2 |
0.6207 | Remote Similarity | NPD5362 | Discontinued |
0.6196 | Remote Similarity | NPD7637 | Suspended |
0.619 | Remote Similarity | NPD4271 | Approved |
0.619 | Remote Similarity | NPD4268 | Approved |
0.618 | Remote Similarity | NPD5330 | Approved |
0.618 | Remote Similarity | NPD7334 | Approved |
0.618 | Remote Similarity | NPD7146 | Approved |
0.618 | Remote Similarity | NPD6409 | Approved |
0.618 | Remote Similarity | NPD6684 | Approved |
0.618 | Remote Similarity | NPD7521 | Approved |
0.6154 | Remote Similarity | NPD6051 | Approved |
0.6118 | Remote Similarity | NPD6929 | Approved |
0.6111 | Remote Similarity | NPD7750 | Discontinued |
0.6105 | Remote Similarity | NPD7839 | Suspended |
0.6071 | Remote Similarity | NPD6932 | Approved |
0.6067 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6047 | Remote Similarity | NPD7509 | Discontinued |
0.6047 | Remote Similarity | NPD5368 | Approved |
0.6044 | Remote Similarity | NPD6903 | Approved |
0.6044 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6023 | Remote Similarity | NPD5331 | Approved |
0.6023 | Remote Similarity | NPD5332 | Approved |
0.6 | Remote Similarity | NPD6922 | Approved |
0.6 | Remote Similarity | NPD6923 | Approved |
0.6 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6422 | Discontinued |
0.5979 | Remote Similarity | NPD4225 | Approved |
0.5977 | Remote Similarity | NPD4790 | Discontinued |
0.5974 | Remote Similarity | NPD3197 | Phase 1 |
0.596 | Remote Similarity | NPD3653 | Clinical (unspecified phase) |
0.5957 | Remote Similarity | NPD6399 | Phase 3 |
0.5955 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD6109 | Phase 1 |
0.5934 | Remote Similarity | NPD4250 | Approved |
0.5934 | Remote Similarity | NPD4251 | Approved |
0.593 | Remote Similarity | NPD6683 | Phase 2 |
0.5926 | Remote Similarity | NPD7144 | Approved |
0.5926 | Remote Similarity | NPD7143 | Approved |
0.5909 | Remote Similarity | NPD4270 | Approved |
0.5909 | Remote Similarity | NPD4269 | Approved |
0.5909 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5889 | Remote Similarity | NPD6893 | Approved |
0.5882 | Remote Similarity | NPD5343 | Approved |
0.5882 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD5776 | Phase 2 |
0.5882 | Remote Similarity | NPD6925 | Approved |
0.587 | Remote Similarity | NPD5737 | Approved |
0.587 | Remote Similarity | NPD6672 | Approved |
0.5865 | Remote Similarity | NPD6371 | Approved |
0.5862 | Remote Similarity | NPD7514 | Phase 3 |
0.5862 | Remote Similarity | NPD7332 | Phase 2 |
0.5857 | Remote Similarity | NPD6927 | Phase 3 |
0.5857 | Remote Similarity | NPD29 | Approved |
0.5857 | Remote Similarity | NPD28 | Approved |
0.5854 | Remote Similarity | NPD7150 | Approved |
0.5854 | Remote Similarity | NPD7151 | Approved |
0.5854 | Remote Similarity | NPD7152 | Approved |
0.5851 | Remote Similarity | NPD7087 | Discontinued |
0.5851 | Remote Similarity | NPD6050 | Approved |
0.5833 | Remote Similarity | NPD8264 | Approved |
0.5824 | Remote Similarity | NPD4249 | Approved |
0.5824 | Remote Similarity | NPD5786 | Approved |
0.5824 | Remote Similarity | NPD6098 | Approved |
0.5823 | Remote Similarity | NPD7331 | Phase 2 |
0.5814 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD7145 | Approved |
0.5797 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.5795 | Remote Similarity | NPD6898 | Phase 1 |
0.5795 | Remote Similarity | NPD6902 | Approved |
0.5758 | Remote Similarity | NPD7798 | Approved |
0.5747 | Remote Similarity | NPD7645 | Phase 2 |
0.5745 | Remote Similarity | NPD5207 | Approved |
0.5745 | Remote Similarity | NPD5692 | Phase 3 |
0.5729 | Remote Similarity | NPD7900 | Approved |
0.5729 | Remote Similarity | NPD7748 | Approved |
0.5729 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD6083 | Phase 2 |
0.5714 | Remote Similarity | NPD4191 | Approved |
0.5714 | Remote Similarity | NPD4193 | Approved |
0.5714 | Remote Similarity | NPD1694 | Approved |
0.5714 | Remote Similarity | NPD368 | Approved |
0.5714 | Remote Similarity | NPD4194 | Approved |
0.5714 | Remote Similarity | NPD5363 | Approved |
0.5714 | Remote Similarity | NPD4192 | Approved |
0.5714 | Remote Similarity | NPD6084 | Phase 2 |
0.5696 | Remote Similarity | NPD7341 | Phase 2 |
0.5688 | Remote Similarity | NPD7115 | Discovery |
0.5684 | Remote Similarity | NPD5694 | Approved |
0.5682 | Remote Similarity | NPD4252 | Approved |
0.5672 | Remote Similarity | NPD6097 | Approved |
0.5672 | Remote Similarity | NPD6096 | Approved |
0.567 | Remote Similarity | NPD5695 | Phase 3 |
0.567 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.567 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5647 | Remote Similarity | NPD6942 | Approved |
0.5647 | Remote Similarity | NPD7339 | Approved |
0.5638 | Remote Similarity | NPD6904 | Approved |
0.5638 | Remote Similarity | NPD6673 | Approved |
0.5638 | Remote Similarity | NPD6080 | Approved |
0.5631 | Remote Similarity | NPD5357 | Phase 1 |
0.5631 | Remote Similarity | NPD6008 | Approved |
0.5616 | Remote Similarity | NPD4266 | Approved |
0.5616 | Remote Similarity | NPD3196 | Approved |
0.5616 | Remote Similarity | NPD3194 | Approved |
0.5616 | Remote Similarity | NPD3195 | Phase 2 |
0.5612 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5604 | Remote Similarity | NPD4786 | Approved |
PubChem CID   | 44448197 |
ChEMBL   | CHEMBL404665 |
ZINC   |
Molecular Weight:   | 346.25 |
ALogP:   | 2.6468 |
MLogP:   | 3.55 |
XLogP:   | 5.252 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 38.83 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 25 |