Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2345 | Cell Line | SW626 | Homo sapiens | ED50 | = | 0.36 | ug/ml | 26264503 |
NPT2 | Others | Unspecified | ED50 | > | 20 | ug/ml | 20516271 | |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | = | 0.3 | ug/ml | 20516271 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | ug/ml | 20516271 |
NPT136 | Cell Line | SK-N-SH | Homo sapiens | ED50 | = | 3.7 | ug/ml | 19596885 |
NPT726 | Cell Line | M109 | Mus musculus | ED50 | = | 5.4 | ug/ml | 25211145 |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | > | 20 | ug/ml | 18537291 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 1.1 | ug/ml | 22578169 |
NPT1851 | Cell Line | Col2 | Homo sapiens | ED50 | = | 9.9 | ug/ml | 17958396 |
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 NPC226592 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 |
---|---|---|
0.9667 | High Similarity | NPC470320 |
0.9016 | High Similarity | NPC477829 |
0.8889 | High Similarity | NPC136164 |
0.8889 | High Similarity | NPC255863 |
0.8889 | High Similarity | NPC245947 |
0.8615 | High Similarity | NPC99619 |
0.8615 | High Similarity | NPC26500 |
0.8571 | High Similarity | NPC29697 |
0.8548 | High Similarity | NPC243532 |
0.85 | High Similarity | NPC179764 |
0.85 | High Similarity | NPC187777 |
0.8413 | Intermediate Similarity | NPC271282 |
0.8413 | Intermediate Similarity | NPC66460 |
0.8413 | Intermediate Similarity | NPC201939 |
0.8413 | Intermediate Similarity | NPC325929 |
0.8413 | Intermediate Similarity | NPC475984 |
0.8358 | Intermediate Similarity | NPC143396 |
0.8333 | Intermediate Similarity | NPC473863 |
0.8333 | Intermediate Similarity | NPC54766 |
0.8333 | Intermediate Similarity | NPC274290 |
0.8308 | Intermediate Similarity | NPC318420 |
0.8308 | Intermediate Similarity | NPC326268 |
0.8281 | Intermediate Similarity | NPC470965 |
0.8254 | Intermediate Similarity | NPC327112 |
0.8167 | Intermediate Similarity | NPC49059 |
0.8167 | Intermediate Similarity | NPC256209 |
0.8065 | Intermediate Similarity | NPC225929 |
0.8 | Intermediate Similarity | NPC1813 |
0.8 | Intermediate Similarity | NPC294548 |
0.8 | Intermediate Similarity | NPC36061 |
0.8 | Intermediate Similarity | NPC139029 |
0.7969 | Intermediate Similarity | NPC235242 |
0.7966 | Intermediate Similarity | NPC284212 |
0.7903 | Intermediate Similarity | NPC477201 |
0.7887 | Intermediate Similarity | NPC227396 |
0.7879 | Intermediate Similarity | NPC328089 |
0.7879 | Intermediate Similarity | NPC68343 |
0.7869 | Intermediate Similarity | NPC85813 |
0.7869 | Intermediate Similarity | NPC290563 |
0.7869 | Intermediate Similarity | NPC88966 |
0.7869 | Intermediate Similarity | NPC6095 |
0.7869 | Intermediate Similarity | NPC424 |
0.7869 | Intermediate Similarity | NPC25417 |
0.7869 | Intermediate Similarity | NPC261831 |
0.7869 | Intermediate Similarity | NPC154245 |
0.7869 | Intermediate Similarity | NPC87564 |
0.7869 | Intermediate Similarity | NPC32467 |
0.7869 | Intermediate Similarity | NPC281972 |
0.7846 | Intermediate Similarity | NPC321838 |
0.7846 | Intermediate Similarity | NPC113293 |
0.7833 | Intermediate Similarity | NPC281245 |
0.7833 | Intermediate Similarity | NPC18357 |
0.7812 | Intermediate Similarity | NPC473652 |
0.7794 | Intermediate Similarity | NPC271921 |
0.7794 | Intermediate Similarity | NPC330426 |
0.7794 | Intermediate Similarity | NPC104537 |
0.7794 | Intermediate Similarity | NPC127091 |
0.7794 | Intermediate Similarity | NPC22101 |
0.7794 | Intermediate Similarity | NPC148192 |
0.7761 | Intermediate Similarity | NPC317881 |
0.7761 | Intermediate Similarity | NPC323045 |
0.7746 | Intermediate Similarity | NPC325627 |
0.7742 | Intermediate Similarity | NPC474513 |
0.7742 | Intermediate Similarity | NPC52264 |
0.7742 | Intermediate Similarity | NPC477726 |
0.7742 | Intermediate Similarity | NPC146551 |
0.7742 | Intermediate Similarity | NPC477725 |
0.7742 | Intermediate Similarity | NPC470963 |
0.7705 | Intermediate Similarity | NPC70387 |
0.7705 | Intermediate Similarity | NPC321062 |
0.7692 | Intermediate Similarity | NPC328311 |
0.7681 | Intermediate Similarity | NPC48218 |
0.7681 | Intermediate Similarity | NPC473559 |
0.7681 | Intermediate Similarity | NPC324981 |
0.7681 | Intermediate Similarity | NPC141481 |
0.7671 | Intermediate Similarity | NPC279537 |
0.7667 | Intermediate Similarity | NPC470410 |
0.7667 | Intermediate Similarity | NPC151782 |
0.7667 | Intermediate Similarity | NPC470411 |
0.7667 | Intermediate Similarity | NPC129263 |
0.7667 | Intermediate Similarity | NPC28205 |
0.7667 | Intermediate Similarity | NPC470412 |
0.7656 | Intermediate Similarity | NPC267817 |
0.7656 | Intermediate Similarity | NPC34416 |
0.7627 | Intermediate Similarity | NPC304162 |
0.7619 | Intermediate Similarity | NPC470968 |
0.7619 | Intermediate Similarity | NPC473847 |
0.7619 | Intermediate Similarity | NPC477661 |
0.7619 | Intermediate Similarity | NPC475384 |
0.7619 | Intermediate Similarity | NPC470967 |
0.7619 | Intermediate Similarity | NPC470966 |
0.7619 | Intermediate Similarity | NPC470964 |
0.7619 | Intermediate Similarity | NPC471960 |
0.7619 | Intermediate Similarity | NPC311648 |
0.7619 | Intermediate Similarity | NPC161838 |
0.7619 | Intermediate Similarity | NPC18951 |
0.7619 | Intermediate Similarity | NPC470969 |
0.7581 | Intermediate Similarity | NPC137538 |
0.7581 | Intermediate Similarity | NPC110732 |
0.7576 | Intermediate Similarity | NPC328776 |
0.7576 | Intermediate Similarity | NPC320305 |
0.7571 | Intermediate Similarity | NPC470436 |
0.7571 | Intermediate Similarity | NPC236208 |
0.7541 | Intermediate Similarity | NPC161366 |
0.7541 | Intermediate Similarity | NPC92114 |
0.7538 | Intermediate Similarity | NPC322002 |
0.7538 | Intermediate Similarity | NPC106851 |
0.7538 | Intermediate Similarity | NPC474267 |
0.7538 | Intermediate Similarity | NPC274927 |
0.7536 | Intermediate Similarity | NPC473829 |
0.7536 | Intermediate Similarity | NPC475443 |
0.7536 | Intermediate Similarity | NPC49863 |
0.75 | Intermediate Similarity | NPC193975 |
0.75 | Intermediate Similarity | NPC594 |
0.75 | Intermediate Similarity | NPC44542 |
0.75 | Intermediate Similarity | NPC48968 |
0.75 | Intermediate Similarity | NPC265551 |
0.75 | Intermediate Similarity | NPC224227 |
0.75 | Intermediate Similarity | NPC212730 |
0.75 | Intermediate Similarity | NPC472445 |
0.75 | Intermediate Similarity | NPC470970 |
0.75 | Intermediate Similarity | NPC323477 |
0.75 | Intermediate Similarity | NPC72699 |
0.7467 | Intermediate Similarity | NPC192006 |
0.7465 | Intermediate Similarity | NPC476660 |
0.7465 | Intermediate Similarity | NPC42526 |
0.746 | Intermediate Similarity | NPC128061 |
0.746 | Intermediate Similarity | NPC28779 |
0.746 | Intermediate Similarity | NPC10316 |
0.746 | Intermediate Similarity | NPC473910 |
0.746 | Intermediate Similarity | NPC473721 |
0.746 | Intermediate Similarity | NPC152668 |
0.746 | Intermediate Similarity | NPC473735 |
0.746 | Intermediate Similarity | NPC223677 |
0.746 | Intermediate Similarity | NPC473725 |
0.746 | Intermediate Similarity | NPC200845 |
0.746 | Intermediate Similarity | NPC475353 |
0.746 | Intermediate Similarity | NPC473896 |
0.7424 | Intermediate Similarity | NPC471278 |
0.7424 | Intermediate Similarity | NPC122521 |
0.7424 | Intermediate Similarity | NPC251042 |
0.7424 | Intermediate Similarity | NPC174447 |
0.7419 | Intermediate Similarity | NPC139545 |
0.7419 | Intermediate Similarity | NPC309606 |
0.7419 | Intermediate Similarity | NPC39633 |
0.7419 | Intermediate Similarity | NPC34577 |
0.7419 | Intermediate Similarity | NPC71761 |
0.7391 | Intermediate Similarity | NPC328653 |
0.7385 | Intermediate Similarity | NPC469373 |
0.7377 | Intermediate Similarity | NPC262968 |
0.7361 | Intermediate Similarity | NPC186531 |
0.7333 | Intermediate Similarity | NPC248884 |
0.7333 | Intermediate Similarity | NPC149821 |
0.7333 | Intermediate Similarity | NPC153538 |
0.7333 | Intermediate Similarity | NPC85079 |
0.7333 | Intermediate Similarity | NPC5413 |
0.7333 | Intermediate Similarity | NPC31194 |
0.7324 | Intermediate Similarity | NPC473772 |
0.7324 | Intermediate Similarity | NPC317583 |
0.7313 | Intermediate Similarity | NPC168407 |
0.7313 | Intermediate Similarity | NPC40082 |
0.7302 | Intermediate Similarity | NPC473532 |
0.7288 | Intermediate Similarity | NPC42304 |
0.7286 | Intermediate Similarity | NPC25298 |
0.7273 | Intermediate Similarity | NPC318306 |
0.7273 | Intermediate Similarity | NPC329249 |
0.7273 | Intermediate Similarity | NPC222852 |
0.7273 | Intermediate Similarity | NPC200446 |
0.726 | Intermediate Similarity | NPC470435 |
0.7246 | Intermediate Similarity | NPC320642 |
0.7237 | Intermediate Similarity | NPC469495 |
0.7231 | Intermediate Similarity | NPC323436 |
0.7213 | Intermediate Similarity | NPC59051 |
0.7206 | Intermediate Similarity | NPC54925 |
0.72 | Intermediate Similarity | NPC49392 |
0.72 | Intermediate Similarity | NPC190400 |
0.7188 | Intermediate Similarity | NPC228473 |
0.7188 | Intermediate Similarity | NPC45626 |
0.7183 | Intermediate Similarity | NPC218477 |
0.7179 | Intermediate Similarity | NPC88735 |
0.7179 | Intermediate Similarity | NPC47031 |
0.7167 | Intermediate Similarity | NPC180534 |
0.7167 | Intermediate Similarity | NPC207292 |
0.7164 | Intermediate Similarity | NPC229252 |
0.7164 | Intermediate Similarity | NPC143857 |
0.7162 | Intermediate Similarity | NPC474321 |
0.7162 | Intermediate Similarity | NPC92558 |
0.7143 | Intermediate Similarity | NPC61177 |
0.7143 | Intermediate Similarity | NPC187361 |
0.7143 | Intermediate Similarity | NPC284224 |
0.7143 | Intermediate Similarity | NPC217188 |
0.7143 | Intermediate Similarity | NPC26102 |
0.7143 | Intermediate Similarity | NPC477724 |
0.7143 | Intermediate Similarity | NPC201225 |
0.7143 | Intermediate Similarity | NPC209995 |
0.7123 | Intermediate Similarity | NPC319163 |
0.7123 | Intermediate Similarity | NPC320119 |
0.7123 | Intermediate Similarity | NPC67076 |
0.7121 | Intermediate Similarity | NPC329819 |
0.7105 | Intermediate Similarity | NPC116177 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC226592 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 |
---|---|---|---|
0.8254 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.8154 | Intermediate Similarity | NPD3197 | Phase 1 |
0.8 | Intermediate Similarity | NPD3172 | Approved |
0.7869 | Intermediate Similarity | NPD3194 | Approved |
0.7869 | Intermediate Similarity | NPD3196 | Approved |
0.7869 | Intermediate Similarity | NPD4266 | Approved |
0.7869 | Intermediate Similarity | NPD3195 | Phase 2 |
0.7536 | Intermediate Similarity | NPD4247 | Clinical (unspecified phase) |
0.7377 | Intermediate Similarity | NPD28 | Approved |
0.7377 | Intermediate Similarity | NPD29 | Approved |
0.7333 | Intermediate Similarity | NPD3173 | Approved |
0.7237 | Intermediate Similarity | NPD5784 | Clinical (unspecified phase) |
0.7215 | Intermediate Similarity | NPD5331 | Approved |
0.7215 | Intermediate Similarity | NPD5332 | Approved |
0.7167 | Intermediate Similarity | NPD622 | Approved |
0.7089 | Intermediate Similarity | NPD4269 | Approved |
0.7089 | Intermediate Similarity | NPD4270 | Approved |
0.7051 | Intermediate Similarity | NPD4252 | Approved |
0.7013 | Intermediate Similarity | NPD4268 | Approved |
0.7013 | Intermediate Similarity | NPD4271 | Approved |
0.7 | Intermediate Similarity | NPD5362 | Discontinued |
0.7 | Intermediate Similarity | NPD7154 | Phase 3 |
0.6835 | Remote Similarity | NPD4822 | Approved |
0.6835 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6835 | Remote Similarity | NPD4821 | Approved |
0.6835 | Remote Similarity | NPD4819 | Approved |
0.6835 | Remote Similarity | NPD4820 | Approved |
0.6833 | Remote Similarity | NPD3174 | Discontinued |
0.6833 | Remote Similarity | NPD4222 | Approved |
0.6829 | Remote Similarity | NPD5363 | Approved |
0.6747 | Remote Similarity | NPD5786 | Approved |
0.6667 | Remote Similarity | NPD4756 | Discovery |
0.6625 | Remote Similarity | NPD5368 | Approved |
0.6557 | Remote Similarity | NPD39 | Approved |
0.6543 | Remote Similarity | NPD4790 | Discontinued |
0.6543 | Remote Similarity | NPD5369 | Approved |
0.6463 | Remote Similarity | NPD6435 | Approved |
0.6437 | Remote Similarity | NPD5785 | Approved |
0.6429 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6418 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6377 | Remote Similarity | NPD6109 | Phase 1 |
0.6375 | Remote Similarity | NPD3732 | Approved |
0.6364 | Remote Similarity | NPD7983 | Approved |
0.6353 | Remote Similarity | NPD4249 | Approved |
0.6349 | Remote Similarity | NPD5343 | Approved |
0.6322 | Remote Similarity | NPD5370 | Suspended |
0.6292 | Remote Similarity | NPD5779 | Approved |
0.6292 | Remote Similarity | NPD5778 | Approved |
0.6279 | Remote Similarity | NPD4250 | Approved |
0.6279 | Remote Similarity | NPD4251 | Approved |
0.6269 | Remote Similarity | NPD3730 | Approved |
0.6269 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD3728 | Approved |
0.623 | Remote Similarity | NPD5326 | Phase 3 |
0.6203 | Remote Similarity | NPD8039 | Approved |
0.618 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD2270 | Approved |
0.6129 | Remote Similarity | NPD2699 | Approved |
0.6102 | Remote Similarity | NPD633 | Phase 3 |
0.6102 | Remote Similarity | NPD9448 | Phase 2 |
0.6087 | Remote Similarity | NPD7839 | Suspended |
0.6067 | Remote Similarity | NPD6698 | Approved |
0.6067 | Remote Similarity | NPD46 | Approved |
0.6032 | Remote Similarity | NPD4265 | Approved |
0.6027 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD7331 | Phase 2 |
0.6 | Remote Similarity | NPD3704 | Approved |
0.5977 | Remote Similarity | NPD4623 | Approved |
0.5977 | Remote Similarity | NPD4519 | Discontinued |
0.5955 | Remote Similarity | NPD6101 | Approved |
0.5955 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD6096 | Approved |
0.5873 | Remote Similarity | NPD6097 | Approved |
0.5873 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.5867 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD3198 | Approved |
0.5833 | Remote Similarity | NPD9655 | Approved |
0.5824 | Remote Similarity | NPD6411 | Approved |
0.5821 | Remote Similarity | NPD6927 | Phase 3 |
0.5811 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD4220 | Pre-registration |
0.5714 | Remote Similarity | NPD342 | Phase 1 |
0.5698 | Remote Similarity | NPD3667 | Approved |
0.5676 | Remote Similarity | NPD368 | Approved |
0.5667 | Remote Similarity | NPD3206 | Approved |
0.5652 | Remote Similarity | NPD7515 | Phase 2 |
0.5652 | Remote Similarity | NPD7637 | Suspended |
0.5638 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD6422 | Discontinued |
0.5606 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
PubChem CID   | 10016854 |
ChEMBL   | CHEMBL459819 |
ZINC   |
Molecular Weight:   | 286.16 |
ALogP:   | 0.197 |
MLogP:   | 3.11 |
XLogP:   | 4.82 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 57.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |