Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | < | 100000 | nM | 8411013 | |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | < | 100000 | nM | 16933872 |
NPT2 | Others | Unspecified | IC50 | < | 100000 | nM | 16933872 | |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | < | 100000 | nM | 16933872 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | LD50 | = | 60 | nM | 15387651 |
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 NPC67009 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 |
---|---|---|
0.9495 | High Similarity | NPC124554 |
0.9495 | High Similarity | NPC301148 |
0.9495 | High Similarity | NPC5864 |
0.9118 | High Similarity | NPC124549 |
0.902 | High Similarity | NPC198344 |
0.9 | High Similarity | NPC220234 |
0.8396 | Intermediate Similarity | NPC323720 |
0.8333 | Intermediate Similarity | NPC171734 |
0.7864 | Intermediate Similarity | NPC62263 |
0.7864 | Intermediate Similarity | NPC173763 |
0.7864 | Intermediate Similarity | NPC471098 |
0.7767 | Intermediate Similarity | NPC474576 |
0.767 | Intermediate Similarity | NPC475801 |
0.767 | Intermediate Similarity | NPC474593 |
0.7431 | Intermediate Similarity | NPC475440 |
0.7407 | Intermediate Similarity | NPC134504 |
0.7407 | Intermediate Similarity | NPC47076 |
0.7358 | Intermediate Similarity | NPC315237 |
0.7345 | Intermediate Similarity | NPC475637 |
0.7238 | Intermediate Similarity | NPC322966 |
0.7103 | Intermediate Similarity | NPC476019 |
0.7087 | Intermediate Similarity | NPC472351 |
0.708 | Intermediate Similarity | NPC471097 |
0.708 | Intermediate Similarity | NPC475149 |
0.7034 | Intermediate Similarity | NPC476875 |
0.7 | Intermediate Similarity | NPC477145 |
0.7 | Intermediate Similarity | NPC473741 |
0.6937 | Remote Similarity | NPC473597 |
0.6935 | Remote Similarity | NPC477238 |
0.6917 | Remote Similarity | NPC63191 |
0.6917 | Remote Similarity | NPC471202 |
0.6903 | Remote Similarity | NPC13175 |
0.6903 | Remote Similarity | NPC475791 |
0.6893 | Remote Similarity | NPC246005 |
0.6814 | Remote Similarity | NPC475758 |
0.6796 | Remote Similarity | NPC476302 |
0.6796 | Remote Similarity | NPC23984 |
0.6789 | Remote Similarity | NPC477538 |
0.6774 | Remote Similarity | NPC477237 |
0.6768 | Remote Similarity | NPC178919 |
0.6768 | Remote Similarity | NPC263281 |
0.6738 | Remote Similarity | NPC129666 |
0.6731 | Remote Similarity | NPC53858 |
0.6731 | Remote Similarity | NPC84128 |
0.6724 | Remote Similarity | NPC476877 |
0.672 | Remote Similarity | NPC470652 |
0.6714 | Remote Similarity | NPC329761 |
0.6714 | Remote Similarity | NPC225648 |
0.67 | Remote Similarity | NPC86064 |
0.6699 | Remote Similarity | NPC476117 |
0.6699 | Remote Similarity | NPC476243 |
0.6699 | Remote Similarity | NPC476156 |
0.6699 | Remote Similarity | NPC476137 |
0.6641 | Remote Similarity | NPC470654 |
0.6641 | Remote Similarity | NPC470650 |
0.6641 | Remote Similarity | NPC470653 |
0.661 | Remote Similarity | NPC241394 |
0.661 | Remote Similarity | NPC476876 |
0.6602 | Remote Similarity | NPC478017 |
0.6602 | Remote Similarity | NPC315535 |
0.6602 | Remote Similarity | NPC315131 |
0.6602 | Remote Similarity | NPC31756 |
0.66 | Remote Similarity | NPC43219 |
0.6589 | Remote Similarity | NPC309525 |
0.6585 | Remote Similarity | NPC103391 |
0.6585 | Remote Similarity | NPC472536 |
0.6532 | Remote Similarity | NPC296043 |
0.6525 | Remote Similarity | NPC128303 |
0.6509 | Remote Similarity | NPC235078 |
0.6505 | Remote Similarity | NPC316242 |
0.648 | Remote Similarity | NPC329216 |
0.6479 | Remote Similarity | NPC145113 |
0.6479 | Remote Similarity | NPC138775 |
0.6465 | Remote Similarity | NPC478256 |
0.6454 | Remote Similarity | NPC5620 |
0.6422 | Remote Similarity | NPC477728 |
0.6406 | Remote Similarity | NPC315188 |
0.6406 | Remote Similarity | NPC160688 |
0.6396 | Remote Similarity | NPC477729 |
0.6391 | Remote Similarity | NPC313657 |
0.6389 | Remote Similarity | NPC227051 |
0.6364 | Remote Similarity | NPC470655 |
0.6364 | Remote Similarity | NPC29598 |
0.6364 | Remote Similarity | NPC212866 |
0.6364 | Remote Similarity | NPC470651 |
0.6343 | Remote Similarity | NPC120335 |
0.633 | Remote Similarity | NPC477539 |
0.6321 | Remote Similarity | NPC470783 |
0.6321 | Remote Similarity | NPC475542 |
0.6312 | Remote Similarity | NPC139326 |
0.6306 | Remote Similarity | NPC275715 |
0.6296 | Remote Similarity | NPC145748 |
0.6296 | Remote Similarity | NPC155670 |
0.6296 | Remote Similarity | NPC95478 |
0.6271 | Remote Similarity | NPC188785 |
0.6263 | Remote Similarity | NPC10716 |
0.6241 | Remote Similarity | NPC269398 |
0.6241 | Remote Similarity | NPC263493 |
0.623 | Remote Similarity | NPC207820 |
0.6204 | Remote Similarity | NPC477730 |
0.62 | Remote Similarity | NPC475808 |
0.62 | Remote Similarity | NPC474298 |
0.62 | Remote Similarity | NPC473985 |
0.62 | Remote Similarity | NPC474299 |
0.62 | Remote Similarity | NPC28348 |
0.6197 | Remote Similarity | NPC161069 |
0.6183 | Remote Similarity | NPC50520 |
0.6132 | Remote Similarity | NPC312315 |
0.6124 | Remote Similarity | NPC469899 |
0.6116 | Remote Similarity | NPC205176 |
0.6081 | Remote Similarity | NPC162104 |
0.6071 | Remote Similarity | NPC52533 |
0.6028 | Remote Similarity | NPC471264 |
0.6028 | Remote Similarity | NPC471265 |
0.6015 | Remote Similarity | NPC477518 |
0.6 | Remote Similarity | NPC476130 |
0.6 | Remote Similarity | NPC476324 |
0.5987 | Remote Similarity | NPC197743 |
0.5987 | Remote Similarity | NPC297145 |
0.5981 | Remote Similarity | NPC473984 |
0.5968 | Remote Similarity | NPC296143 |
0.5962 | Remote Similarity | NPC209156 |
0.5962 | Remote Similarity | NPC266888 |
0.5962 | Remote Similarity | NPC256312 |
0.5962 | Remote Similarity | NPC161774 |
0.5962 | Remote Similarity | NPC138435 |
0.5946 | Remote Similarity | NPC277918 |
0.5944 | Remote Similarity | NPC46098 |
0.5944 | Remote Similarity | NPC268841 |
0.5944 | Remote Similarity | NPC307357 |
0.5931 | Remote Similarity | NPC476978 |
0.5915 | Remote Similarity | NPC68865 |
0.5909 | Remote Similarity | NPC47135 |
0.5905 | Remote Similarity | NPC327272 |
0.589 | Remote Similarity | NPC209509 |
0.5888 | Remote Similarity | NPC233108 |
0.5878 | Remote Similarity | NPC471821 |
0.5878 | Remote Similarity | NPC240848 |
0.5878 | Remote Similarity | NPC471820 |
0.5874 | Remote Similarity | NPC178662 |
0.5874 | Remote Similarity | NPC470884 |
0.5874 | Remote Similarity | NPC476133 |
0.5874 | Remote Similarity | NPC92784 |
0.5874 | Remote Similarity | NPC98424 |
0.5865 | Remote Similarity | NPC273185 |
0.5865 | Remote Similarity | NPC141325 |
0.5862 | Remote Similarity | NPC956 |
0.585 | Remote Similarity | NPC314358 |
0.5849 | Remote Similarity | NPC470782 |
0.5839 | Remote Similarity | NPC2501 |
0.5833 | Remote Similarity | NPC239762 |
0.5833 | Remote Similarity | NPC163392 |
0.5812 | Remote Similarity | NPC38172 |
0.5782 | Remote Similarity | NPC313867 |
0.5782 | Remote Similarity | NPC316008 |
0.5769 | Remote Similarity | NPC196007 |
0.5769 | Remote Similarity | NPC214532 |
0.5769 | Remote Similarity | NPC76297 |
0.5762 | Remote Similarity | NPC314050 |
0.5762 | Remote Similarity | NPC315809 |
0.5753 | Remote Similarity | NPC176226 |
0.5739 | Remote Similarity | NPC193386 |
0.5736 | Remote Similarity | NPC469597 |
0.5724 | Remote Similarity | NPC476259 |
0.5724 | Remote Similarity | NPC122590 |
0.5714 | Remote Similarity | NPC477643 |
0.5714 | Remote Similarity | NPC477641 |
0.5714 | Remote Similarity | NPC314388 |
0.5714 | Remote Similarity | NPC320865 |
0.5714 | Remote Similarity | NPC315283 |
0.5674 | Remote Similarity | NPC120420 |
0.5673 | Remote Similarity | NPC476291 |
0.5673 | Remote Similarity | NPC476285 |
0.5673 | Remote Similarity | NPC477642 |
0.566 | Remote Similarity | NPC126186 |
0.5652 | Remote Similarity | NPC473495 |
0.5648 | Remote Similarity | NPC59867 |
0.5648 | Remote Similarity | NPC472594 |
0.5635 | Remote Similarity | NPC137453 |
0.5634 | Remote Similarity | NPC99864 |
0.562 | Remote Similarity | NPC474371 |
0.5619 | Remote Similarity | NPC470781 |
0.5613 | Remote Similarity | NPC316244 |
0.5608 | Remote Similarity | NPC52748 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC67009 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 |
---|---|---|---|
0.7103 | Intermediate Similarity | NPD4780 | Clinical (unspecified phase) |
0.6952 | Remote Similarity | NPD3723 | Clinical (unspecified phase) |
0.6636 | Remote Similarity | NPD7759 | Phase 2 |
0.6636 | Remote Similarity | NPD7760 | Phase 2 |
0.6636 | Remote Similarity | NPD4261 | Phase 1 |
0.6602 | Remote Similarity | NPD7917 | Clinical (unspecified phase) |
0.6602 | Remote Similarity | NPD7918 | Clinical (unspecified phase) |
0.6579 | Remote Similarity | NPD8038 | Phase 2 |
0.6579 | Remote Similarity | NPD3715 | Approved |
0.6579 | Remote Similarity | NPD3713 | Approved |
0.6579 | Remote Similarity | NPD3714 | Approved |
0.6549 | Remote Similarity | NPD7841 | Clinical (unspecified phase) |
0.6514 | Remote Similarity | NPD3177 | Phase 3 |
0.6476 | Remote Similarity | NPD7762 | Phase 2 |
0.6476 | Remote Similarity | NPD7763 | Phase 2 |
0.6371 | Remote Similarity | NPD8298 | Phase 2 |
0.6364 | Remote Similarity | NPD7840 | Approved |
0.6303 | Remote Similarity | NPD6122 | Discontinued |
0.6262 | Remote Similarity | NPD2683 | Discontinued |
0.6053 | Remote Similarity | NPD2682 | Approved |
0.5972 | Remote Similarity | NPD5193 | Discontinued |
0.5938 | Remote Similarity | NPD7916 | Approved |
0.5938 | Remote Similarity | NPD7915 | Approved |
0.5909 | Remote Similarity | NPD7345 | Approved |
0.5887 | Remote Similarity | NPD6937 | Approved |
0.5877 | Remote Similarity | NPD4264 | Clinical (unspecified phase) |
0.5865 | Remote Similarity | NPD7652 | Discontinued |
0.5862 | Remote Similarity | NPD6699 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD4825 | Clinical (unspecified phase) |
0.5825 | Remote Similarity | NPD2694 | Approved |
0.5825 | Remote Similarity | NPD2696 | Approved |
0.5825 | Remote Similarity | NPD2697 | Approved |
0.5825 | Remote Similarity | NPD2695 | Approved |
0.5818 | Remote Similarity | NPD1125 | Discovery |
0.5818 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.5798 | Remote Similarity | NPD1784 | Approved |
0.5794 | Remote Similarity | NPD8305 | Approved |
0.5794 | Remote Similarity | NPD2689 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD8306 | Approved |
0.5763 | Remote Similarity | NPD8394 | Approved |
0.5752 | Remote Similarity | NPD5791 | Phase 2 |
0.5728 | Remote Similarity | NPD620 | Approved |
0.5728 | Remote Similarity | NPD3724 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD2256 | Clinical (unspecified phase) |
0.5701 | Remote Similarity | NPD1453 | Phase 1 |
0.5694 | Remote Similarity | NPD8173 | Phase 2 |
0.5694 | Remote Similarity | NPD8172 | Phase 2 |
0.5688 | Remote Similarity | NPD4815 | Discontinued |
0.5656 | Remote Similarity | NPD5359 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD5792 | Clinical (unspecified phase) |
0.5635 | Remote Similarity | NPD8140 | Approved |
0.5634 | Remote Similarity | NPD8415 | Approved |
0.5625 | Remote Similarity | NPD4260 | Discontinued |
PubChem CID   | 71449228 |
ChEMBL   | CHEMBL2146621 |
ZINC   |
Molecular Weight:   | 803.50 |
ALogP:   | -1.2811 |
MLogP:   | 4.43 |
XLogP:   | 4.279 |
# Rotatable Bonds:   | 25 |
Polar Surface Area:   | 198.94 |
# H-Bond Aceptor:   | 15 |
# H-Bond Donor:   | 3 |
# Rings:   | 2 |
# Heavy Atoms:   | 57 |