Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 70 | nM | 2821258 |
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 NPC470596 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 |
---|---|---|
0.9697 | High Similarity | NPC470595 |
0.9175 | High Similarity | NPC292819 |
0.7925 | Intermediate Similarity | NPC470592 |
0.7607 | Intermediate Similarity | NPC470594 |
0.7607 | Intermediate Similarity | NPC470593 |
0.729 | Intermediate Similarity | NPC476903 |
0.7288 | Intermediate Similarity | NPC474006 |
0.7273 | Intermediate Similarity | NPC90150 |
0.713 | Intermediate Similarity | NPC289140 |
0.71 | Intermediate Similarity | NPC109533 |
0.708 | Intermediate Similarity | NPC36497 |
0.708 | Intermediate Similarity | NPC55462 |
0.6991 | Remote Similarity | NPC475239 |
0.699 | Remote Similarity | NPC34811 |
0.699 | Remote Similarity | NPC147513 |
0.6981 | Remote Similarity | NPC312637 |
0.6964 | Remote Similarity | NPC476755 |
0.6957 | Remote Similarity | NPC159367 |
0.6903 | Remote Similarity | NPC241879 |
0.687 | Remote Similarity | NPC25340 |
0.6864 | Remote Similarity | NPC124358 |
0.6847 | Remote Similarity | NPC220111 |
0.6833 | Remote Similarity | NPC165396 |
0.6814 | Remote Similarity | NPC471083 |
0.678 | Remote Similarity | NPC66862 |
0.6771 | Remote Similarity | NPC120167 |
0.6771 | Remote Similarity | NPC473442 |
0.6762 | Remote Similarity | NPC157479 |
0.6723 | Remote Similarity | NPC469968 |
0.6723 | Remote Similarity | NPC56796 |
0.6723 | Remote Similarity | NPC80834 |
0.6695 | Remote Similarity | NPC72753 |
0.6695 | Remote Similarity | NPC472359 |
0.6609 | Remote Similarity | NPC474583 |
0.6607 | Remote Similarity | NPC473537 |
0.6583 | Remote Similarity | NPC474452 |
0.6581 | Remote Similarity | NPC244982 |
0.6581 | Remote Similarity | NPC476756 |
0.6577 | Remote Similarity | NPC174117 |
0.6555 | Remote Similarity | NPC472313 |
0.6549 | Remote Similarity | NPC252564 |
0.6549 | Remote Similarity | NPC475249 |
0.6545 | Remote Similarity | NPC93027 |
0.6542 | Remote Similarity | NPC21035 |
0.6525 | Remote Similarity | NPC476276 |
0.6522 | Remote Similarity | NPC50815 |
0.65 | Remote Similarity | NPC474459 |
0.6496 | Remote Similarity | NPC86906 |
0.6491 | Remote Similarity | NPC201712 |
0.6471 | Remote Similarity | NPC473994 |
0.646 | Remote Similarity | NPC140300 |
0.6436 | Remote Similarity | NPC25110 |
0.6435 | Remote Similarity | NPC474001 |
0.6435 | Remote Similarity | NPC475518 |
0.6435 | Remote Similarity | NPC77703 |
0.6429 | Remote Similarity | NPC242692 |
0.6393 | Remote Similarity | NPC478137 |
0.6389 | Remote Similarity | NPC43308 |
0.6381 | Remote Similarity | NPC215474 |
0.6379 | Remote Similarity | NPC247060 |
0.6378 | Remote Similarity | NPC472458 |
0.6356 | Remote Similarity | NPC476328 |
0.6341 | Remote Similarity | NPC145501 |
0.6303 | Remote Similarity | NPC46981 |
0.6283 | Remote Similarity | NPC311164 |
0.6283 | Remote Similarity | NPC272732 |
0.6281 | Remote Similarity | NPC63511 |
0.6271 | Remote Similarity | NPC476921 |
0.6262 | Remote Similarity | NPC175419 |
0.6261 | Remote Similarity | NPC91604 |
0.623 | Remote Similarity | NPC79238 |
0.6207 | Remote Similarity | NPC135799 |
0.6204 | Remote Similarity | NPC75810 |
0.6179 | Remote Similarity | NPC476498 |
0.6174 | Remote Similarity | NPC474164 |
0.6168 | Remote Similarity | NPC323180 |
0.6167 | Remote Similarity | NPC8009 |
0.6167 | Remote Similarity | NPC169375 |
0.6167 | Remote Similarity | NPC48127 |
0.6167 | Remote Similarity | NPC267217 |
0.6167 | Remote Similarity | NPC83047 |
0.6162 | Remote Similarity | NPC124384 |
0.6148 | Remote Similarity | NPC328052 |
0.6147 | Remote Similarity | NPC270957 |
0.6147 | Remote Similarity | NPC171698 |
0.6147 | Remote Similarity | NPC321340 |
0.6147 | Remote Similarity | NPC119633 |
0.6142 | Remote Similarity | NPC475340 |
0.6132 | Remote Similarity | NPC192456 |
0.6126 | Remote Similarity | NPC323156 |
0.6126 | Remote Similarity | NPC135005 |
0.6107 | Remote Similarity | NPC237286 |
0.6102 | Remote Similarity | NPC176012 |
0.6093 | Remote Similarity | NPC73644 |
0.6091 | Remote Similarity | NPC89747 |
0.608 | Remote Similarity | NPC476499 |
0.6068 | Remote Similarity | NPC477964 |
0.6068 | Remote Similarity | NPC275686 |
0.6055 | Remote Similarity | NPC182106 |
0.6055 | Remote Similarity | NPC311769 |
0.605 | Remote Similarity | NPC98765 |
0.6045 | Remote Similarity | NPC478139 |
0.6031 | Remote Similarity | NPC321197 |
0.6017 | Remote Similarity | NPC118275 |
0.6016 | Remote Similarity | NPC287764 |
0.6016 | Remote Similarity | NPC139778 |
0.6 | Remote Similarity | NPC245223 |
0.6 | Remote Similarity | NPC212874 |
0.6 | Remote Similarity | NPC155985 |
0.5984 | Remote Similarity | NPC476918 |
0.5981 | Remote Similarity | NPC257962 |
0.598 | Remote Similarity | NPC232112 |
0.5969 | Remote Similarity | NPC208118 |
0.5969 | Remote Similarity | NPC96080 |
0.5969 | Remote Similarity | NPC99905 |
0.5946 | Remote Similarity | NPC473525 |
0.594 | Remote Similarity | NPC96010 |
0.594 | Remote Similarity | NPC317654 |
0.5935 | Remote Similarity | NPC218602 |
0.5929 | Remote Similarity | NPC126993 |
0.5917 | Remote Similarity | NPC90538 |
0.5909 | Remote Similarity | NPC22133 |
0.5909 | Remote Similarity | NPC76518 |
0.5897 | Remote Similarity | NPC240650 |
0.5897 | Remote Similarity | NPC91036 |
0.5897 | Remote Similarity | NPC184033 |
0.5896 | Remote Similarity | NPC476497 |
0.5893 | Remote Similarity | NPC259252 |
0.5882 | Remote Similarity | NPC151018 |
0.5882 | Remote Similarity | NPC320549 |
0.5882 | Remote Similarity | NPC58057 |
0.5882 | Remote Similarity | NPC156277 |
0.5882 | Remote Similarity | NPC111234 |
0.5877 | Remote Similarity | NPC74296 |
0.5877 | Remote Similarity | NPC272746 |
0.5877 | Remote Similarity | NPC110923 |
0.5876 | Remote Similarity | NPC114891 |
0.5873 | Remote Similarity | NPC28224 |
0.5872 | Remote Similarity | NPC472743 |
0.5872 | Remote Similarity | NPC475726 |
0.5872 | Remote Similarity | NPC246956 |
0.5868 | Remote Similarity | NPC119329 |
0.5865 | Remote Similarity | NPC21220 |
0.5865 | Remote Similarity | NPC240235 |
0.5865 | Remote Similarity | NPC195155 |
0.5865 | Remote Similarity | NPC104387 |
0.5865 | Remote Similarity | NPC70982 |
0.5865 | Remote Similarity | NPC174964 |
0.5865 | Remote Similarity | NPC178383 |
0.5865 | Remote Similarity | NPC97534 |
0.5865 | Remote Similarity | NPC273366 |
0.5865 | Remote Similarity | NPC212733 |
0.5865 | Remote Similarity | NPC230704 |
0.5865 | Remote Similarity | NPC3403 |
0.5865 | Remote Similarity | NPC185536 |
0.5865 | Remote Similarity | NPC212879 |
0.5865 | Remote Similarity | NPC125767 |
0.5865 | Remote Similarity | NPC231256 |
0.5859 | Remote Similarity | NPC142712 |
0.5856 | Remote Similarity | NPC471737 |
0.5856 | Remote Similarity | NPC269396 |
0.5856 | Remote Similarity | NPC98236 |
0.5856 | Remote Similarity | NPC323958 |
0.5856 | Remote Similarity | NPC322672 |
0.5856 | Remote Similarity | NPC72133 |
0.5849 | Remote Similarity | NPC244385 |
0.5849 | Remote Similarity | NPC138621 |
0.5849 | Remote Similarity | NPC167037 |
0.5849 | Remote Similarity | NPC6978 |
0.5849 | Remote Similarity | NPC285761 |
0.5841 | Remote Similarity | NPC472240 |
0.5841 | Remote Similarity | NPC262858 |
0.5833 | Remote Similarity | NPC152718 |
0.5826 | Remote Similarity | NPC476304 |
0.5826 | Remote Similarity | NPC12722 |
0.5821 | Remote Similarity | NPC476501 |
0.582 | Remote Similarity | NPC233256 |
0.582 | Remote Similarity | NPC476926 |
0.582 | Remote Similarity | NPC195841 |
0.5818 | Remote Similarity | NPC214043 |
0.5818 | Remote Similarity | NPC475745 |
0.5818 | Remote Similarity | NPC474482 |
0.5818 | Remote Similarity | NPC74595 |
0.5818 | Remote Similarity | NPC33913 |
0.5818 | Remote Similarity | NPC472265 |
0.5818 | Remote Similarity | NPC264665 |
0.5818 | Remote Similarity | NPC85774 |
0.5814 | Remote Similarity | NPC475887 |
0.581 | Remote Similarity | NPC472487 |
0.581 | Remote Similarity | NPC5767 |
0.581 | Remote Similarity | NPC86305 |
0.581 | Remote Similarity | NPC472486 |
0.581 | Remote Similarity | NPC91573 |
0.581 | Remote Similarity | NPC78067 |
0.581 | Remote Similarity | NPC14112 |
0.581 | Remote Similarity | NPC93662 |
0.581 | Remote Similarity | NPC237460 |
0.581 | Remote Similarity | NPC4209 |
0.581 | Remote Similarity | NPC475742 |
0.581 | Remote Similarity | NPC278091 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470596 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 |
---|---|---|---|
0.693 | Remote Similarity | NPD6920 | Discontinued |
0.681 | Remote Similarity | NPD6415 | Discontinued |
0.6724 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.6694 | Remote Similarity | NPD7754 | Approved |
0.6694 | Remote Similarity | NPD7755 | Approved |
0.6667 | Remote Similarity | NPD8298 | Phase 2 |
0.6607 | Remote Similarity | NPD7920 | Phase 3 |
0.6607 | Remote Similarity | NPD7919 | Phase 3 |
0.6549 | Remote Similarity | NPD8088 | Phase 1 |
0.6446 | Remote Similarity | NPD8078 | Approved |
0.6446 | Remote Similarity | NPD8077 | Approved |
0.6356 | Remote Similarity | NPD8040 | Discontinued |
0.6348 | Remote Similarity | NPD8418 | Phase 2 |
0.6325 | Remote Similarity | NPD7911 | Approved |
0.6325 | Remote Similarity | NPD7987 | Approved |
0.6325 | Remote Similarity | NPD7912 | Approved |
0.6325 | Remote Similarity | NPD7986 | Approved |
0.6218 | Remote Similarity | NPD7333 | Discontinued |
0.6167 | Remote Similarity | NPD7990 | Approved |
0.6167 | Remote Similarity | NPD7989 | Approved |
0.6095 | Remote Similarity | NPD7155 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD6934 | Discontinued |
0.6 | Remote Similarity | NPD8308 | Discontinued |
0.6 | Remote Similarity | NPD1376 | Discontinued |
0.5923 | Remote Similarity | NPD6908 | Approved |
0.5923 | Remote Similarity | NPD6909 | Approved |
0.5882 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD7991 | Discontinued |
0.5841 | Remote Similarity | NPD5328 | Approved |
0.581 | Remote Similarity | NPD6117 | Approved |
0.5794 | Remote Similarity | NPD7335 | Phase 2 |
0.5794 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD7336 | Phase 2 |
0.5769 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5766 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5755 | Remote Similarity | NPD6116 | Phase 1 |
0.5755 | Remote Similarity | NPD8143 | Approved |
0.5755 | Remote Similarity | NPD8144 | Approved |
0.5741 | Remote Similarity | NPD7525 | Registered |
0.5739 | Remote Similarity | NPD6079 | Approved |
0.5714 | Remote Similarity | NPD3618 | Phase 1 |
0.5701 | Remote Similarity | NPD6115 | Approved |
0.5701 | Remote Similarity | NPD6118 | Approved |
0.5701 | Remote Similarity | NPD6114 | Approved |
0.5701 | Remote Similarity | NPD6697 | Approved |
0.5686 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD5771 | Approved |
0.5639 | Remote Similarity | NPD7652 | Discontinued |
0.5631 | Remote Similarity | NPD4244 | Approved |
0.5631 | Remote Similarity | NPD4789 | Approved |
0.5631 | Remote Similarity | NPD4245 | Approved |
PubChem CID   | 70682697 |
ChEMBL   | CHEMBL2087203 |
ZINC   |
Molecular Weight:   | 456.37 |
ALogP:   | 1.0673 |
MLogP:   | 4.21 |
XLogP:   | 6.388 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 43.78 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 5 |
# Heavy Atoms:   | 33 |