Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 1740 | nM | 23398362 |
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 NPC311769 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 |
---|---|---|
1.0 | High Similarity | NPC182106 |
0.9634 | High Similarity | NPC259252 |
0.8966 | High Similarity | NPC476752 |
0.8966 | High Similarity | NPC476753 |
0.8864 | High Similarity | NPC476754 |
0.814 | Intermediate Similarity | NPC21667 |
0.8021 | Intermediate Similarity | NPC152718 |
0.7979 | Intermediate Similarity | NPC184033 |
0.7955 | Intermediate Similarity | NPC147513 |
0.7895 | Intermediate Similarity | NPC140685 |
0.7865 | Intermediate Similarity | NPC157479 |
0.7835 | Intermediate Similarity | NPC226509 |
0.7802 | Intermediate Similarity | NPC249312 |
0.7732 | Intermediate Similarity | NPC474001 |
0.7677 | Intermediate Similarity | NPC469958 |
0.7653 | Intermediate Similarity | NPC58200 |
0.7619 | Intermediate Similarity | NPC293803 |
0.7614 | Intermediate Similarity | NPC215474 |
0.76 | Intermediate Similarity | NPC230677 |
0.759 | Intermediate Similarity | NPC251705 |
0.759 | Intermediate Similarity | NPC474228 |
0.759 | Intermediate Similarity | NPC303613 |
0.7561 | Intermediate Similarity | NPC282593 |
0.7561 | Intermediate Similarity | NPC159577 |
0.7561 | Intermediate Similarity | NPC265782 |
0.7561 | Intermediate Similarity | NPC251929 |
0.7561 | Intermediate Similarity | NPC35734 |
0.7561 | Intermediate Similarity | NPC2634 |
0.75 | Intermediate Similarity | NPC476904 |
0.75 | Intermediate Similarity | NPC255021 |
0.75 | Intermediate Similarity | NPC90150 |
0.747 | Intermediate Similarity | NPC54123 |
0.747 | Intermediate Similarity | NPC115023 |
0.747 | Intermediate Similarity | NPC305501 |
0.747 | Intermediate Similarity | NPC21773 |
0.747 | Intermediate Similarity | NPC234707 |
0.7439 | Intermediate Similarity | NPC139397 |
0.7412 | Intermediate Similarity | NPC255650 |
0.7381 | Intermediate Similarity | NPC470045 |
0.7381 | Intermediate Similarity | NPC470044 |
0.7349 | Intermediate Similarity | NPC477856 |
0.7349 | Intermediate Similarity | NPC307176 |
0.7349 | Intermediate Similarity | NPC214770 |
0.7349 | Intermediate Similarity | NPC260040 |
0.7326 | Intermediate Similarity | NPC69408 |
0.7317 | Intermediate Similarity | NPC20610 |
0.7294 | Intermediate Similarity | NPC329866 |
0.7294 | Intermediate Similarity | NPC474797 |
0.7294 | Intermediate Similarity | NPC474796 |
0.7294 | Intermediate Similarity | NPC309852 |
0.7262 | Intermediate Similarity | NPC110615 |
0.7229 | Intermediate Similarity | NPC182815 |
0.7191 | Intermediate Similarity | NPC250632 |
0.7191 | Intermediate Similarity | NPC474509 |
0.7174 | Intermediate Similarity | NPC152684 |
0.7143 | Intermediate Similarity | NPC40574 |
0.7129 | Intermediate Similarity | NPC476755 |
0.7126 | Intermediate Similarity | NPC7214 |
0.7079 | Intermediate Similarity | NPC211322 |
0.7073 | Intermediate Similarity | NPC323005 |
0.7059 | Intermediate Similarity | NPC265789 |
0.7059 | Intermediate Similarity | NPC470078 |
0.7059 | Intermediate Similarity | NPC225467 |
0.7059 | Intermediate Similarity | NPC190035 |
0.7048 | Intermediate Similarity | NPC175585 |
0.7024 | Intermediate Similarity | NPC477857 |
0.7011 | Intermediate Similarity | NPC473171 |
0.6989 | Remote Similarity | NPC75810 |
0.6989 | Remote Similarity | NPC34811 |
0.6989 | Remote Similarity | NPC76283 |
0.6988 | Remote Similarity | NPC20181 |
0.6988 | Remote Similarity | NPC220210 |
0.6988 | Remote Similarity | NPC176107 |
0.697 | Remote Similarity | NPC247220 |
0.6952 | Remote Similarity | NPC476918 |
0.6932 | Remote Similarity | NPC469793 |
0.6932 | Remote Similarity | NPC469796 |
0.6923 | Remote Similarity | NPC195841 |
0.6923 | Remote Similarity | NPC233256 |
0.6905 | Remote Similarity | NPC310992 |
0.6905 | Remote Similarity | NPC188292 |
0.6905 | Remote Similarity | NPC142754 |
0.6905 | Remote Similarity | NPC296697 |
0.6905 | Remote Similarity | NPC260474 |
0.6905 | Remote Similarity | NPC39157 |
0.6905 | Remote Similarity | NPC82477 |
0.6889 | Remote Similarity | NPC170793 |
0.6889 | Remote Similarity | NPC90965 |
0.6882 | Remote Similarity | NPC178025 |
0.6882 | Remote Similarity | NPC16287 |
0.6882 | Remote Similarity | NPC181743 |
0.6867 | Remote Similarity | NPC189917 |
0.6867 | Remote Similarity | NPC43300 |
0.6867 | Remote Similarity | NPC107704 |
0.6867 | Remote Similarity | NPC96812 |
0.6867 | Remote Similarity | NPC92327 |
0.6867 | Remote Similarity | NPC168824 |
0.6867 | Remote Similarity | NPC39462 |
0.6863 | Remote Similarity | NPC34193 |
0.686 | Remote Similarity | NPC223187 |
0.686 | Remote Similarity | NPC5701 |
0.6854 | Remote Similarity | NPC91665 |
0.6848 | Remote Similarity | NPC472239 |
0.6842 | Remote Similarity | NPC43308 |
0.6829 | Remote Similarity | NPC469662 |
0.6829 | Remote Similarity | NPC212210 |
0.6827 | Remote Similarity | NPC475239 |
0.6824 | Remote Similarity | NPC286814 |
0.6824 | Remote Similarity | NPC256846 |
0.6818 | Remote Similarity | NPC125828 |
0.6809 | Remote Similarity | NPC60350 |
0.6778 | Remote Similarity | NPC115515 |
0.6774 | Remote Similarity | NPC171639 |
0.6762 | Remote Similarity | NPC476926 |
0.6762 | Remote Similarity | NPC476328 |
0.6744 | Remote Similarity | NPC473442 |
0.6744 | Remote Similarity | NPC120167 |
0.6739 | Remote Similarity | NPC118329 |
0.6739 | Remote Similarity | NPC152039 |
0.6739 | Remote Similarity | NPC257962 |
0.6739 | Remote Similarity | NPC329782 |
0.6731 | Remote Similarity | NPC98765 |
0.6707 | Remote Similarity | NPC472306 |
0.6707 | Remote Similarity | NPC197238 |
0.6707 | Remote Similarity | NPC165695 |
0.6707 | Remote Similarity | NPC202118 |
0.6706 | Remote Similarity | NPC87141 |
0.6705 | Remote Similarity | NPC159497 |
0.6705 | Remote Similarity | NPC211641 |
0.6703 | Remote Similarity | NPC215843 |
0.6698 | Remote Similarity | NPC476756 |
0.6698 | Remote Similarity | NPC244982 |
0.6697 | Remote Similarity | NPC124358 |
0.6696 | Remote Similarity | NPC474006 |
0.6667 | Remote Similarity | NPC320514 |
0.6667 | Remote Similarity | NPC469804 |
0.6667 | Remote Similarity | NPC469805 |
0.6667 | Remote Similarity | NPC476293 |
0.6667 | Remote Similarity | NPC119329 |
0.6667 | Remote Similarity | NPC100297 |
0.6667 | Remote Similarity | NPC181204 |
0.6667 | Remote Similarity | NPC142253 |
0.6667 | Remote Similarity | NPC127582 |
0.6667 | Remote Similarity | NPC472312 |
0.6667 | Remote Similarity | NPC472867 |
0.6667 | Remote Similarity | NPC3511 |
0.6667 | Remote Similarity | NPC93778 |
0.6667 | Remote Similarity | NPC25853 |
0.6667 | Remote Similarity | NPC470557 |
0.6636 | Remote Similarity | NPC24596 |
0.6636 | Remote Similarity | NPC476276 |
0.6636 | Remote Similarity | NPC476919 |
0.6636 | Remote Similarity | NPC476920 |
0.6634 | Remote Similarity | NPC476903 |
0.6632 | Remote Similarity | NPC29447 |
0.663 | Remote Similarity | NPC469798 |
0.663 | Remote Similarity | NPC469797 |
0.663 | Remote Similarity | NPC12035 |
0.6628 | Remote Similarity | NPC138409 |
0.6627 | Remote Similarity | NPC285371 |
0.6627 | Remote Similarity | NPC475124 |
0.6625 | Remote Similarity | NPC266295 |
0.6625 | Remote Similarity | NPC94991 |
0.6607 | Remote Similarity | NPC473573 |
0.6606 | Remote Similarity | NPC143173 |
0.6604 | Remote Similarity | NPC185929 |
0.6602 | Remote Similarity | NPC128698 |
0.6602 | Remote Similarity | NPC239768 |
0.6602 | Remote Similarity | NPC477964 |
0.6596 | Remote Similarity | NPC279639 |
0.6596 | Remote Similarity | NPC474976 |
0.6596 | Remote Similarity | NPC3856 |
0.6596 | Remote Similarity | NPC474790 |
0.6593 | Remote Similarity | NPC82635 |
0.6593 | Remote Similarity | NPC469996 |
0.6593 | Remote Similarity | NPC228911 |
0.6593 | Remote Similarity | NPC470052 |
0.6591 | Remote Similarity | NPC474488 |
0.6588 | Remote Similarity | NPC475523 |
0.6585 | Remote Similarity | NPC213152 |
0.6585 | Remote Similarity | NPC60565 |
0.6562 | Remote Similarity | NPC166458 |
0.6559 | Remote Similarity | NPC473217 |
0.6556 | Remote Similarity | NPC474463 |
0.6548 | Remote Similarity | NPC251118 |
0.6543 | Remote Similarity | NPC21781 |
0.6543 | Remote Similarity | NPC472304 |
0.6543 | Remote Similarity | NPC276764 |
0.6543 | Remote Similarity | NPC259261 |
0.6526 | Remote Similarity | NPC85774 |
0.6526 | Remote Similarity | NPC214043 |
0.6526 | Remote Similarity | NPC87552 |
0.6517 | Remote Similarity | NPC219232 |
0.6517 | Remote Similarity | NPC128346 |
0.6514 | Remote Similarity | NPC63511 |
0.6512 | Remote Similarity | NPC155198 |
0.6509 | Remote Similarity | NPC476921 |
0.65 | Remote Similarity | NPC247316 |
0.65 | Remote Similarity | NPC115385 |
0.65 | Remote Similarity | NPC230823 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC311769 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 |
---|---|---|---|
0.7561 | Intermediate Similarity | NPD4691 | Approved |
0.7474 | Intermediate Similarity | NPD5769 | Clinical (unspecified phase) |
0.7439 | Intermediate Similarity | NPD4137 | Phase 3 |
0.7349 | Intermediate Similarity | NPD4747 | Approved |
0.7294 | Intermediate Similarity | NPD4058 | Approved |
0.7143 | Intermediate Similarity | NPD3527 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD8028 | Phase 2 |
0.7108 | Intermediate Similarity | NPD3621 | Clinical (unspecified phase) |
0.7093 | Intermediate Similarity | NPD5733 | Approved |
0.6897 | Remote Similarity | NPD4687 | Approved |
0.6889 | Remote Similarity | NPD7155 | Clinical (unspecified phase) |
0.686 | Remote Similarity | NPD5276 | Approved |
0.6667 | Remote Similarity | NPD7812 | Clinical (unspecified phase) |
0.6634 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6489 | Remote Similarity | NPD4221 | Approved |
0.6489 | Remote Similarity | NPD4223 | Phase 3 |
0.6458 | Remote Similarity | NPD5329 | Approved |
0.6429 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6413 | Remote Similarity | NPD3617 | Approved |
0.6392 | Remote Similarity | NPD7521 | Approved |
0.6392 | Remote Similarity | NPD7146 | Approved |
0.6392 | Remote Similarity | NPD6409 | Approved |
0.6392 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.6392 | Remote Similarity | NPD7334 | Approved |
0.6392 | Remote Similarity | NPD6684 | Approved |
0.6392 | Remote Similarity | NPD5330 | Approved |
0.6354 | Remote Similarity | NPD3666 | Approved |
0.6354 | Remote Similarity | NPD3133 | Approved |
0.6354 | Remote Similarity | NPD4197 | Approved |
0.6354 | Remote Similarity | NPD3665 | Phase 1 |
0.6296 | Remote Similarity | NPD7333 | Discontinued |
0.6263 | Remote Similarity | NPD6672 | Approved |
0.6263 | Remote Similarity | NPD6903 | Approved |
0.6263 | Remote Similarity | NPD5737 | Approved |
0.6238 | Remote Similarity | NPD6079 | Approved |
0.6224 | Remote Similarity | NPD4689 | Approved |
0.6224 | Remote Similarity | NPD3618 | Phase 1 |
0.6224 | Remote Similarity | NPD5205 | Approved |
0.6224 | Remote Similarity | NPD4138 | Approved |
0.6224 | Remote Similarity | NPD4693 | Phase 3 |
0.6224 | Remote Similarity | NPD5690 | Phase 2 |
0.6224 | Remote Similarity | NPD4690 | Approved |
0.6224 | Remote Similarity | NPD4688 | Approved |
0.62 | Remote Similarity | NPD6080 | Approved |
0.62 | Remote Similarity | NPD6673 | Approved |
0.62 | Remote Similarity | NPD6904 | Approved |
0.62 | Remote Similarity | NPD5328 | Approved |
0.6198 | Remote Similarity | NPD6330 | Clinical (unspecified phase) |
0.6186 | Remote Similarity | NPD4786 | Approved |
0.6154 | Remote Similarity | NPD7614 | Phase 1 |
0.6154 | Remote Similarity | NPD7732 | Phase 3 |
0.6146 | Remote Similarity | NPD3667 | Approved |
0.6139 | Remote Similarity | NPD4096 | Approved |
0.6139 | Remote Similarity | NPD6934 | Discontinued |
0.6132 | Remote Similarity | NPD6404 | Discontinued |
0.6105 | Remote Similarity | NPD4695 | Discontinued |
0.61 | Remote Similarity | NPD5208 | Approved |
0.6095 | Remote Similarity | NPD4657 | Approved |
0.6095 | Remote Similarity | NPD4655 | Approved |
0.6082 | Remote Similarity | NPD4788 | Approved |
0.6061 | Remote Similarity | NPD6098 | Approved |
0.6061 | Remote Similarity | NPD4694 | Approved |
0.6061 | Remote Similarity | NPD5280 | Approved |
0.604 | Remote Similarity | NPD4753 | Phase 2 |
0.6024 | Remote Similarity | NPD287 | Approved |
0.602 | Remote Similarity | NPD3668 | Phase 3 |
0.6019 | Remote Similarity | NPD6024 | Approved |
0.6019 | Remote Similarity | NPD6027 | Approved |
0.6 | Remote Similarity | NPD4195 | Approved |
0.5962 | Remote Similarity | NPD5771 | Approved |
0.5934 | Remote Similarity | NPD5365 | Phase 2 |
0.5922 | Remote Similarity | NPD5693 | Phase 1 |
0.5922 | Remote Similarity | NPD6050 | Approved |
0.5905 | Remote Similarity | NPD4629 | Approved |
0.5905 | Remote Similarity | NPD5210 | Approved |
0.5905 | Remote Similarity | NPD4094 | Approved |
0.5905 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4519 | Discontinued |
0.59 | Remote Similarity | NPD4623 | Approved |
0.59 | Remote Similarity | NPD5279 | Phase 3 |
0.5895 | Remote Similarity | NPD4776 | Phase 2 |
0.5895 | Remote Similarity | NPD4777 | Suspended |
0.5882 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5865 | Remote Similarity | NPD4202 | Approved |
0.5856 | Remote Similarity | NPD6920 | Discontinued |
0.5849 | Remote Similarity | NPD5222 | Approved |
0.5849 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5849 | Remote Similarity | NPD5221 | Approved |
0.5842 | Remote Similarity | NPD3573 | Approved |
0.5833 | Remote Similarity | NPD6909 | Approved |
0.5833 | Remote Similarity | NPD6908 | Approved |
0.5825 | Remote Similarity | NPD5207 | Approved |
0.5825 | Remote Similarity | NPD5692 | Phase 3 |
0.5824 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.5824 | Remote Similarity | NPD6939 | Phase 2 |
0.581 | Remote Similarity | NPD6001 | Approved |
0.5794 | Remote Similarity | NPD6083 | Phase 2 |
0.5794 | Remote Similarity | NPD5173 | Approved |
0.5794 | Remote Similarity | NPD6084 | Phase 2 |
0.5769 | Remote Similarity | NPD5694 | Approved |
0.5769 | Remote Similarity | NPD5281 | Approved |
0.5769 | Remote Similarity | NPD7515 | Phase 2 |
0.5769 | Remote Similarity | NPD5284 | Approved |
0.5752 | Remote Similarity | NPD6415 | Discontinued |
0.5727 | Remote Similarity | NPD2196 | Discontinued |
0.5727 | Remote Similarity | NPD2193 | Phase 2 |
0.5727 | Remote Similarity | NPD2648 | Phase 3 |
0.5714 | Remote Similarity | NPD5133 | Approved |
0.5714 | Remote Similarity | NPD2192 | Approved |
0.5714 | Remote Similarity | NPD6399 | Phase 3 |
0.5714 | Remote Similarity | NPD4692 | Approved |
0.5714 | Remote Similarity | NPD2197 | Approved |
0.5714 | Remote Similarity | NPD4139 | Approved |
0.5701 | Remote Similarity | NPD4697 | Phase 3 |
0.5688 | Remote Similarity | NPD5286 | Approved |
0.5688 | Remote Similarity | NPD5285 | Approved |
0.5688 | Remote Similarity | NPD4696 | Approved |
0.568 | Remote Similarity | NPD8336 | Approved |
0.568 | Remote Similarity | NPD8337 | Approved |
0.566 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD7900 | Approved |
0.566 | Remote Similarity | NPD7748 | Approved |
0.5657 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5648 | Remote Similarity | NPD4755 | Approved |
0.5636 | Remote Similarity | NPD5223 | Approved |
0.5607 | Remote Similarity | NPD5654 | Approved |
0.5607 | Remote Similarity | NPD5695 | Phase 3 |
PubChem CID   | 70697323 |
ChEMBL   | CHEMBL2087211 |
ZINC   |
Molecular Weight:   | 343.29 |
ALogP:   | 1.3729 |
MLogP:   | 3.77 |
XLogP:   | 5.92 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 20.31 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 4 |
# Heavy Atoms:   | 25 |