Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 190 | nM | 22264170 |
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 NPC292819 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 |
---|---|---|
0.9175 | High Similarity | NPC470596 |
0.89 | High Similarity | NPC470595 |
0.8586 | High Similarity | NPC470592 |
0.8182 | Intermediate Similarity | NPC470593 |
0.8182 | Intermediate Similarity | NPC470594 |
0.7604 | Intermediate Similarity | NPC34811 |
0.7576 | Intermediate Similarity | NPC312637 |
0.7553 | Intermediate Similarity | NPC109533 |
0.7404 | Intermediate Similarity | NPC220111 |
0.7222 | Intermediate Similarity | NPC120167 |
0.7222 | Intermediate Similarity | NPC473442 |
0.7115 | Intermediate Similarity | NPC174117 |
0.7069 | Intermediate Similarity | NPC474006 |
0.7048 | Intermediate Similarity | NPC476903 |
0.6981 | Remote Similarity | NPC473537 |
0.6964 | Remote Similarity | NPC473994 |
0.6931 | Remote Similarity | NPC21035 |
0.6916 | Remote Similarity | NPC475249 |
0.6916 | Remote Similarity | NPC252564 |
0.6909 | Remote Similarity | NPC475239 |
0.6887 | Remote Similarity | NPC289140 |
0.6881 | Remote Similarity | NPC476755 |
0.6852 | Remote Similarity | NPC201712 |
0.6847 | Remote Similarity | NPC36497 |
0.6842 | Remote Similarity | NPC25110 |
0.6818 | Remote Similarity | NPC241879 |
0.6789 | Remote Similarity | NPC475518 |
0.6783 | Remote Similarity | NPC124358 |
0.6696 | Remote Similarity | NPC55462 |
0.6637 | Remote Similarity | NPC25340 |
0.6635 | Remote Similarity | NPC135005 |
0.6634 | Remote Similarity | NPC175419 |
0.661 | Remote Similarity | NPC165396 |
0.6583 | Remote Similarity | NPC475340 |
0.6579 | Remote Similarity | NPC159367 |
0.6577 | Remote Similarity | NPC471083 |
0.6559 | Remote Similarity | NPC124384 |
0.6552 | Remote Similarity | NPC66862 |
0.6535 | Remote Similarity | NPC323180 |
0.6526 | Remote Similarity | NPC232112 |
0.6505 | Remote Similarity | NPC171698 |
0.6505 | Remote Similarity | NPC119633 |
0.6505 | Remote Similarity | NPC321340 |
0.6505 | Remote Similarity | NPC270957 |
0.65 | Remote Similarity | NPC90150 |
0.65 | Remote Similarity | NPC192456 |
0.6496 | Remote Similarity | NPC56796 |
0.6491 | Remote Similarity | NPC48127 |
0.6491 | Remote Similarity | NPC244982 |
0.6491 | Remote Similarity | NPC83047 |
0.6491 | Remote Similarity | NPC476756 |
0.6491 | Remote Similarity | NPC267217 |
0.6491 | Remote Similarity | NPC8009 |
0.6476 | Remote Similarity | NPC323156 |
0.6466 | Remote Similarity | NPC472359 |
0.6466 | Remote Similarity | NPC72753 |
0.6421 | Remote Similarity | NPC151018 |
0.6421 | Remote Similarity | NPC156277 |
0.6421 | Remote Similarity | NPC320549 |
0.6421 | Remote Similarity | NPC58057 |
0.6392 | Remote Similarity | NPC212733 |
0.6392 | Remote Similarity | NPC273366 |
0.6392 | Remote Similarity | NPC21220 |
0.6392 | Remote Similarity | NPC195155 |
0.6392 | Remote Similarity | NPC125767 |
0.6392 | Remote Similarity | NPC174964 |
0.6392 | Remote Similarity | NPC97534 |
0.6383 | Remote Similarity | NPC245223 |
0.6372 | Remote Similarity | NPC474583 |
0.6356 | Remote Similarity | NPC80834 |
0.6356 | Remote Similarity | NPC469968 |
0.633 | Remote Similarity | NPC155985 |
0.6327 | Remote Similarity | NPC472486 |
0.6327 | Remote Similarity | NPC475742 |
0.6327 | Remote Similarity | NPC4209 |
0.6327 | Remote Similarity | NPC5767 |
0.6327 | Remote Similarity | NPC472487 |
0.6325 | Remote Similarity | NPC139778 |
0.6303 | Remote Similarity | NPC28224 |
0.6289 | Remote Similarity | NPC280026 |
0.6289 | Remote Similarity | NPC254340 |
0.6289 | Remote Similarity | NPC167702 |
0.6271 | Remote Similarity | NPC474459 |
0.6264 | Remote Similarity | NPC114891 |
0.6263 | Remote Similarity | NPC475031 |
0.6263 | Remote Similarity | NPC143133 |
0.6263 | Remote Similarity | NPC221420 |
0.6263 | Remote Similarity | NPC317913 |
0.6263 | Remote Similarity | NPC23884 |
0.6263 | Remote Similarity | NPC207010 |
0.6263 | Remote Similarity | NPC298168 |
0.6261 | Remote Similarity | NPC86906 |
0.626 | Remote Similarity | NPC96080 |
0.626 | Remote Similarity | NPC99905 |
0.626 | Remote Similarity | NPC208118 |
0.625 | Remote Similarity | NPC89310 |
0.625 | Remote Similarity | NPC147513 |
0.6237 | Remote Similarity | NPC142712 |
0.6218 | Remote Similarity | NPC474452 |
0.6211 | Remote Similarity | NPC213178 |
0.6211 | Remote Similarity | NPC327728 |
0.6211 | Remote Similarity | NPC131892 |
0.6211 | Remote Similarity | NPC6120 |
0.621 | Remote Similarity | NPC242692 |
0.62 | Remote Similarity | NPC224802 |
0.62 | Remote Similarity | NPC324700 |
0.62 | Remote Similarity | NPC34046 |
0.62 | Remote Similarity | NPC171426 |
0.62 | Remote Similarity | NPC80089 |
0.6195 | Remote Similarity | NPC474001 |
0.619 | Remote Similarity | NPC323958 |
0.6186 | Remote Similarity | NPC310766 |
0.6186 | Remote Similarity | NPC472313 |
0.6172 | Remote Similarity | NPC476497 |
0.617 | Remote Similarity | NPC475884 |
0.617 | Remote Similarity | NPC48079 |
0.617 | Remote Similarity | NPC473230 |
0.6167 | Remote Similarity | NPC478137 |
0.6154 | Remote Similarity | NPC71460 |
0.6154 | Remote Similarity | NPC148174 |
0.6154 | Remote Similarity | NPC218585 |
0.6147 | Remote Similarity | NPC93027 |
0.614 | Remote Similarity | NPC50815 |
0.6139 | Remote Similarity | NPC80891 |
0.6139 | Remote Similarity | NPC320144 |
0.6139 | Remote Similarity | NPC201276 |
0.6132 | Remote Similarity | NPC43308 |
0.6132 | Remote Similarity | NPC168017 |
0.6129 | Remote Similarity | NPC473276 |
0.6129 | Remote Similarity | NPC41577 |
0.6129 | Remote Similarity | NPC474380 |
0.6117 | Remote Similarity | NPC215474 |
0.6111 | Remote Similarity | NPC21781 |
0.6105 | Remote Similarity | NPC472741 |
0.6098 | Remote Similarity | NPC475887 |
0.6094 | Remote Similarity | NPC476501 |
0.609 | Remote Similarity | NPC474210 |
0.6083 | Remote Similarity | NPC476498 |
0.6071 | Remote Similarity | NPC140300 |
0.6068 | Remote Similarity | NPC46981 |
0.6066 | Remote Similarity | NPC476502 |
0.6066 | Remote Similarity | NPC476955 |
0.6064 | Remote Similarity | NPC44122 |
0.6061 | Remote Similarity | NPC477002 |
0.6061 | Remote Similarity | NPC159789 |
0.605 | Remote Similarity | NPC63511 |
0.6042 | Remote Similarity | NPC477820 |
0.6042 | Remote Similarity | NPC299948 |
0.6042 | Remote Similarity | NPC319671 |
0.6042 | Remote Similarity | NPC469941 |
0.6042 | Remote Similarity | NPC129829 |
0.6042 | Remote Similarity | NPC241085 |
0.6042 | Remote Similarity | NPC470830 |
0.6042 | Remote Similarity | NPC321732 |
0.6042 | Remote Similarity | NPC66407 |
0.6042 | Remote Similarity | NPC254037 |
0.6042 | Remote Similarity | NPC476734 |
0.6042 | Remote Similarity | NPC324607 |
0.6042 | Remote Similarity | NPC252032 |
0.6042 | Remote Similarity | NPC107919 |
0.604 | Remote Similarity | NPC185465 |
0.6038 | Remote Similarity | NPC157479 |
0.6036 | Remote Similarity | NPC272732 |
0.6036 | Remote Similarity | NPC311164 |
0.6032 | Remote Similarity | NPC472458 |
0.6022 | Remote Similarity | NPC118937 |
0.6022 | Remote Similarity | NPC69149 |
0.6022 | Remote Similarity | NPC167995 |
0.6022 | Remote Similarity | NPC281540 |
0.6022 | Remote Similarity | NPC159654 |
0.6019 | Remote Similarity | NPC469745 |
0.6019 | Remote Similarity | NPC58631 |
0.6019 | Remote Similarity | NPC12933 |
0.6019 | Remote Similarity | NPC178632 |
0.6018 | Remote Similarity | NPC91604 |
0.6017 | Remote Similarity | NPC476276 |
0.6016 | Remote Similarity | NPC221196 |
0.6016 | Remote Similarity | NPC39485 |
0.6 | Remote Similarity | NPC476735 |
0.6 | Remote Similarity | NPC309249 |
0.6 | Remote Similarity | NPC79238 |
0.6 | Remote Similarity | NPC63190 |
0.6 | Remote Similarity | NPC247060 |
0.5984 | Remote Similarity | NPC476499 |
0.5979 | Remote Similarity | NPC192192 |
0.5979 | Remote Similarity | NPC477929 |
0.5979 | Remote Similarity | NPC63588 |
0.5979 | Remote Similarity | NPC232925 |
0.5979 | Remote Similarity | NPC282454 |
0.5979 | Remote Similarity | NPC251201 |
0.5979 | Remote Similarity | NPC231945 |
0.5965 | Remote Similarity | NPC135799 |
0.5962 | Remote Similarity | NPC289486 |
0.5962 | Remote Similarity | NPC30583 |
0.5962 | Remote Similarity | NPC61107 |
0.5962 | Remote Similarity | NPC268040 |
0.5962 | Remote Similarity | NPC121121 |
0.596 | Remote Similarity | NPC133922 |
0.596 | Remote Similarity | NPC472854 |
0.5948 | Remote Similarity | NPC98765 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC292819 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 |
---|---|---|---|
0.7477 | Intermediate Similarity | NPD6920 | Discontinued |
0.7339 | Intermediate Similarity | NPD6415 | Discontinued |
0.7168 | Intermediate Similarity | NPD8298 | Phase 2 |
0.7091 | Intermediate Similarity | NPD7646 | Clinical (unspecified phase) |
0.6981 | Remote Similarity | NPD7920 | Phase 3 |
0.6981 | Remote Similarity | NPD7919 | Phase 3 |
0.6916 | Remote Similarity | NPD8088 | Phase 1 |
0.6852 | Remote Similarity | NPD8418 | Phase 2 |
0.6847 | Remote Similarity | NPD8040 | Discontinued |
0.6667 | Remote Similarity | NPD7911 | Approved |
0.6667 | Remote Similarity | NPD7986 | Approved |
0.6667 | Remote Similarity | NPD7912 | Approved |
0.6667 | Remote Similarity | NPD7987 | Approved |
0.6633 | Remote Similarity | NPD7155 | Clinical (unspecified phase) |
0.661 | Remote Similarity | NPD7755 | Approved |
0.661 | Remote Similarity | NPD7754 | Approved |
0.6571 | Remote Similarity | NPD6934 | Discontinued |
0.6491 | Remote Similarity | NPD7989 | Approved |
0.6491 | Remote Similarity | NPD7990 | Approved |
0.6421 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6421 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6356 | Remote Similarity | NPD8078 | Approved |
0.6356 | Remote Similarity | NPD8077 | Approved |
0.6346 | Remote Similarity | NPD8308 | Discontinued |
0.6327 | Remote Similarity | NPD6117 | Approved |
0.6289 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6263 | Remote Similarity | NPD6116 | Phase 1 |
0.6211 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6211 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD6114 | Approved |
0.62 | Remote Similarity | NPD6697 | Approved |
0.62 | Remote Similarity | NPD6115 | Approved |
0.62 | Remote Similarity | NPD6118 | Approved |
0.6182 | Remote Similarity | NPD7991 | Discontinued |
0.6146 | Remote Similarity | NPD4789 | Approved |
0.6146 | Remote Similarity | NPD4245 | Approved |
0.6146 | Remote Similarity | NPD4244 | Approved |
0.6121 | Remote Similarity | NPD7333 | Discontinued |
0.61 | Remote Similarity | NPD8143 | Approved |
0.61 | Remote Similarity | NPD8144 | Approved |
0.6061 | Remote Similarity | NPD3703 | Phase 2 |
0.6042 | Remote Similarity | NPD3698 | Phase 2 |
0.6042 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6018 | Remote Similarity | NPD3104 | Approved |
0.6018 | Remote Similarity | NPD3102 | Approved |
0.6018 | Remote Similarity | NPD3101 | Approved |
0.6018 | Remote Similarity | NPD3103 | Approved |
0.5957 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5943 | Remote Similarity | NPD3723 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD5360 | Phase 3 |
0.5906 | Remote Similarity | NPD7652 | Discontinued |
0.5818 | Remote Similarity | NPD6700 | Approved |
0.5818 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD4787 | Phase 1 |
0.5804 | Remote Similarity | NPD2636 | Clinical (unspecified phase) |
0.5804 | Remote Similarity | NPD2637 | Approved |
0.5794 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5773 | Remote Similarity | NPD6705 | Phase 1 |
0.5766 | Remote Similarity | NPD6702 | Approved |
0.5766 | Remote Similarity | NPD6703 | Approved |
0.575 | Remote Similarity | NPD8174 | Phase 2 |
0.5728 | Remote Similarity | NPD3671 | Phase 1 |
0.5645 | Remote Similarity | NPD1376 | Discontinued |
0.56 | Remote Similarity | NPD6081 | Approved |
0.56 | Remote Similarity | NPD4758 | Discontinued |
PubChem CID   | 70695310 |
ChEMBL   | CHEMBL2087206 |
ZINC   |
Molecular Weight:   | 458.39 |
ALogP:   | 0.1349 |
MLogP:   | 4.21 |
XLogP:   | 6.857 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 43.78 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 5 |
# Heavy Atoms:   | 33 |