Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT726 | Cell Line | M109 | Mus musculus | ED50 | = | 3.7 | ug/ml | 16499316 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 3 | ug/ml | 24164206 |
NPT841 | Organism | Leishmania major | Leishmania major | IC50 | = | 1.4 | ug/ml | 24164206 |
NPT136 | Cell Line | SK-N-SH | Homo sapiens | ED50 | = | 1.4 | ug/ml | 19880317 |
NPT2345 | Cell Line | SW626 | Homo sapiens | ED50 | = | 4.1 | ug/ml | 19548690 |
NPT2 | Others | Unspecified | ED50 | = | 3.5 | ug/ml | 19548690 | |
NPT1851 | Cell Line | Col2 | Homo sapiens | ED50 | = | 5.5 | ug/ml | 19548690 |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | = | 4.1 | ug/ml | 19548690 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 2.8 | ug/ml | 19548690 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 3.7 | ug/ml | 19548690 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 4.3 | ug/ml | 19548690 |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 0.18 | ug/ml | 25920564 |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | = | 1.6 | ug/ml | 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 NPC304162 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 |
---|---|---|
0.9167 | High Similarity | NPC100096 |
0.913 | High Similarity | NPC328497 |
0.913 | High Similarity | NPC324004 |
0.8936 | High Similarity | NPC106872 |
0.8889 | High Similarity | NPC19305 |
0.8889 | High Similarity | NPC255837 |
0.8696 | High Similarity | NPC8219 |
0.8571 | High Similarity | NPC90904 |
0.8542 | High Similarity | NPC131770 |
0.8542 | High Similarity | NPC200618 |
0.8511 | High Similarity | NPC30195 |
0.8511 | High Similarity | NPC12438 |
0.8444 | Intermediate Similarity | NPC103286 |
0.8444 | Intermediate Similarity | NPC163746 |
0.8298 | Intermediate Similarity | NPC469781 |
0.8261 | Intermediate Similarity | NPC301528 |
0.8261 | Intermediate Similarity | NPC129972 |
0.8261 | Intermediate Similarity | NPC71317 |
0.8085 | Intermediate Similarity | NPC74845 |
0.8043 | Intermediate Similarity | NPC196924 |
0.8043 | Intermediate Similarity | NPC149184 |
0.8043 | Intermediate Similarity | NPC307783 |
0.8043 | Intermediate Similarity | NPC209970 |
0.8043 | Intermediate Similarity | NPC216630 |
0.8043 | Intermediate Similarity | NPC171736 |
0.8 | Intermediate Similarity | NPC301585 |
0.8 | Intermediate Similarity | NPC14227 |
0.8 | Intermediate Similarity | NPC261080 |
0.8 | Intermediate Similarity | NPC154186 |
0.8 | Intermediate Similarity | NPC301696 |
0.8 | Intermediate Similarity | NPC113928 |
0.8 | Intermediate Similarity | NPC279026 |
0.8 | Intermediate Similarity | NPC201844 |
0.7925 | Intermediate Similarity | NPC320588 |
0.7925 | Intermediate Similarity | NPC469937 |
0.7925 | Intermediate Similarity | NPC23155 |
0.7925 | Intermediate Similarity | NPC53463 |
0.7917 | Intermediate Similarity | NPC287231 |
0.7917 | Intermediate Similarity | NPC47363 |
0.7872 | Intermediate Similarity | NPC67462 |
0.7778 | Intermediate Similarity | NPC73245 |
0.7708 | Intermediate Similarity | NPC76051 |
0.7692 | Intermediate Similarity | NPC470411 |
0.7692 | Intermediate Similarity | NPC470412 |
0.7692 | Intermediate Similarity | NPC470410 |
0.7647 | Intermediate Similarity | NPC26253 |
0.7627 | Intermediate Similarity | NPC226592 |
0.7609 | Intermediate Similarity | NPC118968 |
0.7609 | Intermediate Similarity | NPC294085 |
0.7609 | Intermediate Similarity | NPC214610 |
0.7609 | Intermediate Similarity | NPC183424 |
0.7556 | Intermediate Similarity | NPC158179 |
0.75 | Intermediate Similarity | NPC236579 |
0.75 | Intermediate Similarity | NPC203531 |
0.7447 | Intermediate Similarity | NPC161097 |
0.7447 | Intermediate Similarity | NPC250028 |
0.7447 | Intermediate Similarity | NPC165533 |
0.7447 | Intermediate Similarity | NPC256163 |
0.7447 | Intermediate Similarity | NPC28598 |
0.7447 | Intermediate Similarity | NPC40597 |
0.7447 | Intermediate Similarity | NPC149299 |
0.74 | Intermediate Similarity | NPC52700 |
0.74 | Intermediate Similarity | NPC63182 |
0.74 | Intermediate Similarity | NPC145045 |
0.74 | Intermediate Similarity | NPC105329 |
0.7391 | Intermediate Similarity | NPC54980 |
0.7391 | Intermediate Similarity | NPC305660 |
0.7391 | Intermediate Similarity | NPC201622 |
0.7391 | Intermediate Similarity | NPC22903 |
0.7391 | Intermediate Similarity | NPC268826 |
0.7333 | Intermediate Similarity | NPC470320 |
0.7333 | Intermediate Similarity | NPC155263 |
0.7292 | Intermediate Similarity | NPC474361 |
0.7292 | Intermediate Similarity | NPC53541 |
0.7273 | Intermediate Similarity | NPC289979 |
0.7255 | Intermediate Similarity | NPC21844 |
0.7255 | Intermediate Similarity | NPC326957 |
0.7241 | Intermediate Similarity | NPC470363 |
0.7234 | Intermediate Similarity | NPC471282 |
0.7234 | Intermediate Similarity | NPC219536 |
0.7234 | Intermediate Similarity | NPC31551 |
0.7234 | Intermediate Similarity | NPC223249 |
0.7234 | Intermediate Similarity | NPC80234 |
0.7222 | Intermediate Similarity | NPC18357 |
0.72 | Intermediate Similarity | NPC273545 |
0.72 | Intermediate Similarity | NPC55023 |
0.717 | Intermediate Similarity | NPC55678 |
0.7143 | Intermediate Similarity | NPC82315 |
0.7119 | Intermediate Similarity | NPC243532 |
0.7115 | Intermediate Similarity | NPC477878 |
0.7115 | Intermediate Similarity | NPC324793 |
0.7111 | Intermediate Similarity | NPC156630 |
0.7111 | Intermediate Similarity | NPC317203 |
0.7083 | Intermediate Similarity | NPC12156 |
0.7059 | Intermediate Similarity | NPC314679 |
0.7037 | Intermediate Similarity | NPC287811 |
0.7018 | Intermediate Similarity | NPC187777 |
0.7018 | Intermediate Similarity | NPC179764 |
0.7 | Intermediate Similarity | NPC201939 |
0.7 | Intermediate Similarity | NPC317128 |
0.6957 | Remote Similarity | NPC474392 |
0.6957 | Remote Similarity | NPC134782 |
0.6957 | Remote Similarity | NPC474914 |
0.6949 | Remote Similarity | NPC17935 |
0.6909 | Remote Similarity | NPC161366 |
0.6863 | Remote Similarity | NPC62014 |
0.6842 | Remote Similarity | NPC274290 |
0.6842 | Remote Similarity | NPC473863 |
0.6842 | Remote Similarity | NPC54766 |
0.68 | Remote Similarity | NPC176500 |
0.68 | Remote Similarity | NPC289686 |
0.6774 | Remote Similarity | NPC314103 |
0.6769 | Remote Similarity | NPC28526 |
0.6739 | Remote Similarity | NPC97967 |
0.6727 | Remote Similarity | NPC314084 |
0.6721 | Remote Similarity | NPC477829 |
0.6667 | Remote Similarity | NPC136164 |
0.6667 | Remote Similarity | NPC476330 |
0.6667 | Remote Similarity | NPC72324 |
0.6667 | Remote Similarity | NPC319034 |
0.6667 | Remote Similarity | NPC255863 |
0.6667 | Remote Similarity | NPC175342 |
0.6667 | Remote Similarity | NPC193062 |
0.6667 | Remote Similarity | NPC66124 |
0.6667 | Remote Similarity | NPC475821 |
0.6667 | Remote Similarity | NPC245947 |
0.6667 | Remote Similarity | NPC1748 |
0.6613 | Remote Similarity | NPC235788 |
0.6613 | Remote Similarity | NPC474552 |
0.661 | Remote Similarity | NPC225929 |
0.6604 | Remote Similarity | NPC8597 |
0.66 | Remote Similarity | NPC325452 |
0.66 | Remote Similarity | NPC248763 |
0.6596 | Remote Similarity | NPC80396 |
0.6596 | Remote Similarity | NPC80641 |
0.6596 | Remote Similarity | NPC154642 |
0.6557 | Remote Similarity | NPC235242 |
0.6538 | Remote Similarity | NPC215358 |
0.6508 | Remote Similarity | NPC68343 |
0.6508 | Remote Similarity | NPC328089 |
0.6491 | Remote Similarity | NPC294548 |
0.6491 | Remote Similarity | NPC139029 |
0.6491 | Remote Similarity | NPC72722 |
0.6491 | Remote Similarity | NPC36061 |
0.6491 | Remote Similarity | NPC1813 |
0.6481 | Remote Similarity | NPC180534 |
0.6462 | Remote Similarity | NPC148192 |
0.6462 | Remote Similarity | NPC330426 |
0.6462 | Remote Similarity | NPC271921 |
0.6462 | Remote Similarity | NPC99619 |
0.6462 | Remote Similarity | NPC469925 |
0.6462 | Remote Similarity | NPC22101 |
0.6462 | Remote Similarity | NPC206601 |
0.6462 | Remote Similarity | NPC127091 |
0.6462 | Remote Similarity | NPC104537 |
0.6462 | Remote Similarity | NPC26500 |
0.6458 | Remote Similarity | NPC74352 |
0.6458 | Remote Similarity | NPC128996 |
0.6458 | Remote Similarity | NPC109026 |
0.6452 | Remote Similarity | NPC321838 |
0.6444 | Remote Similarity | NPC267243 |
0.6444 | Remote Similarity | NPC122962 |
0.6441 | Remote Similarity | NPC477201 |
0.6429 | Remote Similarity | NPC284212 |
0.6415 | Remote Similarity | NPC473914 |
0.6415 | Remote Similarity | NPC166287 |
0.6406 | Remote Similarity | NPC326268 |
0.6406 | Remote Similarity | NPC318420 |
0.6383 | Remote Similarity | NPC223374 |
0.6383 | Remote Similarity | NPC86545 |
0.6383 | Remote Similarity | NPC301398 |
0.6383 | Remote Similarity | NPC196442 |
0.6379 | Remote Similarity | NPC87394 |
0.6379 | Remote Similarity | NPC25417 |
0.6379 | Remote Similarity | NPC85813 |
0.6379 | Remote Similarity | NPC424 |
0.6379 | Remote Similarity | NPC261831 |
0.6379 | Remote Similarity | NPC87564 |
0.6379 | Remote Similarity | NPC88966 |
0.6379 | Remote Similarity | NPC290563 |
0.6379 | Remote Similarity | NPC281972 |
0.6379 | Remote Similarity | NPC32467 |
0.6379 | Remote Similarity | NPC6095 |
0.6379 | Remote Similarity | NPC154245 |
0.6364 | Remote Similarity | NPC473559 |
0.6364 | Remote Similarity | NPC319007 |
0.6364 | Remote Similarity | NPC48218 |
0.6364 | Remote Similarity | NPC324981 |
0.6364 | Remote Similarity | NPC141481 |
0.6349 | Remote Similarity | NPC29697 |
0.6349 | Remote Similarity | NPC325773 |
0.6316 | Remote Similarity | NPC310746 |
0.6316 | Remote Similarity | NPC473705 |
0.6316 | Remote Similarity | NPC281245 |
0.6304 | Remote Similarity | NPC185538 |
0.6304 | Remote Similarity | NPC328710 |
0.6304 | Remote Similarity | NPC272998 |
0.6304 | Remote Similarity | NPC205141 |
0.6304 | Remote Similarity | NPC181516 |
0.6304 | Remote Similarity | NPC291158 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC304162 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 |
---|---|---|---|
0.8043 | Intermediate Similarity | NPD2270 | Approved |
0.8 | Intermediate Similarity | NPD9448 | Phase 2 |
0.8 | Intermediate Similarity | NPD633 | Phase 3 |
0.7925 | Intermediate Similarity | NPD3728 | Approved |
0.7925 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.7925 | Intermediate Similarity | NPD3730 | Approved |
0.7917 | Intermediate Similarity | NPD2699 | Approved |
0.7609 | Intermediate Similarity | NPD9655 | Approved |
0.7551 | Intermediate Similarity | NPD3199 | Clinical (unspecified phase) |
0.7391 | Intermediate Similarity | NPD3206 | Approved |
0.7241 | Intermediate Similarity | NPD3198 | Approved |
0.7115 | Intermediate Similarity | NPD6125 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD634 | Phase 3 |
0.6774 | Remote Similarity | NPD7909 | Approved |
0.6774 | Remote Similarity | NPD3197 | Phase 1 |
0.6607 | Remote Similarity | NPD3186 | Phase 1 |
0.6491 | Remote Similarity | NPD3172 | Approved |
0.6481 | Remote Similarity | NPD622 | Approved |
0.6481 | Remote Similarity | NPD2266 | Phase 2 |
0.6471 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.6415 | Remote Similarity | NPD9430 | Approved |
0.6415 | Remote Similarity | NPD9431 | Approved |
0.64 | Remote Similarity | NPD9635 | Discontinued |
0.6379 | Remote Similarity | NPD3194 | Approved |
0.6379 | Remote Similarity | NPD3195 | Phase 2 |
0.6379 | Remote Similarity | NPD4266 | Approved |
0.6379 | Remote Similarity | NPD3196 | Approved |
0.6379 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD5383 | Approved |
0.6304 | Remote Similarity | NPD2272 | Approved |
0.62 | Remote Similarity | NPD9450 | Approved |
0.62 | Remote Similarity | NPD77 | Approved |
0.6167 | Remote Similarity | NPD73 | Approved |
0.6032 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD9513 | Phase 1 |
0.5915 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD9638 | Phase 2 |
0.5862 | Remote Similarity | NPD28 | Approved |
0.5862 | Remote Similarity | NPD29 | Approved |
0.5833 | Remote Similarity | NPD8857 | Approved |
0.58 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD3173 | Approved |
0.5763 | Remote Similarity | NPD65 | Approved |
0.5763 | Remote Similarity | NPD72 | Approved |
0.5763 | Remote Similarity | NPD9007 | Approved |
0.5763 | Remote Similarity | NPD9009 | Approved |
0.5763 | Remote Similarity | NPD8960 | Approved |
0.5763 | Remote Similarity | NPD9010 | Approved |
0.5763 | Remote Similarity | NPD64 | Approved |
0.5763 | Remote Similarity | NPD66 | Approved |
0.5763 | Remote Similarity | NPD9008 | Approved |
0.5763 | Remote Similarity | NPD9011 | Approved |
0.5753 | Remote Similarity | NPD6117 | Approved |
0.5676 | Remote Similarity | NPD6116 | Phase 1 |
0.5672 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5634 | Remote Similarity | NPD2256 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6115 | Approved |
0.56 | Remote Similarity | NPD6697 | Approved |
0.56 | Remote Similarity | NPD6118 | Approved |
0.56 | Remote Similarity | NPD6114 | Approved |
PubChem CID   | 183614 |
ChEMBL   | CHEMBL487989 |
ZINC   |
Molecular Weight:   | 284.14 |
ALogP:   | 0.3196 |
MLogP:   | 3.11 |
XLogP:   | 4.878 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 57.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |