Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT189 | Cell Line | Vero | Chlorocebus aethiops | IC50 | = | 76.4 | ug/ml | 18929486 |
NPT2 | Others | Unspecified | Activity | = | 59.1 | % | 23398362 | |
NPT632 | Tissue | Brain | Rattus norvegicus | Inhibition | = | 57.4 | % | 23398362 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 75.5 | ug/ml | 25101911 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 70.2 | ug/ml | 12828466 |
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 NPC470040 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 |
---|---|---|
0.7662 | Intermediate Similarity | NPC17550 |
0.7595 | Intermediate Similarity | NPC122945 |
0.7595 | Intermediate Similarity | NPC109938 |
0.7568 | Intermediate Similarity | NPC476709 |
0.7564 | Intermediate Similarity | NPC206062 |
0.7532 | Intermediate Similarity | NPC4436 |
0.7439 | Intermediate Similarity | NPC173917 |
0.7308 | Intermediate Similarity | NPC470944 |
0.7286 | Intermediate Similarity | NPC211291 |
0.7286 | Intermediate Similarity | NPC133368 |
0.725 | Intermediate Similarity | NPC246621 |
0.7222 | Intermediate Similarity | NPC272125 |
0.7195 | Intermediate Similarity | NPC319238 |
0.7183 | Intermediate Similarity | NPC309300 |
0.7179 | Intermediate Similarity | NPC476703 |
0.7176 | Intermediate Similarity | NPC473058 |
0.7162 | Intermediate Similarity | NPC329989 |
0.7162 | Intermediate Similarity | NPC16964 |
0.7162 | Intermediate Similarity | NPC239373 |
0.7143 | Intermediate Similarity | NPC113639 |
0.7143 | Intermediate Similarity | NPC12696 |
0.7125 | Intermediate Similarity | NPC473685 |
0.7125 | Intermediate Similarity | NPC190008 |
0.7125 | Intermediate Similarity | NPC100697 |
0.7123 | Intermediate Similarity | NPC472255 |
0.7123 | Intermediate Similarity | NPC472253 |
0.7108 | Intermediate Similarity | NPC119001 |
0.7105 | Intermediate Similarity | NPC329763 |
0.7101 | Intermediate Similarity | NPC122239 |
0.7093 | Intermediate Similarity | NPC159876 |
0.7093 | Intermediate Similarity | NPC469403 |
0.7083 | Intermediate Similarity | NPC238352 |
0.7083 | Intermediate Similarity | NPC477009 |
0.7067 | Intermediate Similarity | NPC470041 |
0.7042 | Intermediate Similarity | NPC279200 |
0.7013 | Intermediate Similarity | NPC472966 |
0.7 | Intermediate Similarity | NPC476701 |
0.6977 | Remote Similarity | NPC470819 |
0.6962 | Remote Similarity | NPC477426 |
0.6962 | Remote Similarity | NPC477425 |
0.6962 | Remote Similarity | NPC474826 |
0.6962 | Remote Similarity | NPC477427 |
0.6962 | Remote Similarity | NPC476439 |
0.6957 | Remote Similarity | NPC10017 |
0.6957 | Remote Similarity | NPC226848 |
0.6944 | Remote Similarity | NPC225415 |
0.6944 | Remote Similarity | NPC300593 |
0.6933 | Remote Similarity | NPC304690 |
0.6933 | Remote Similarity | NPC74722 |
0.6933 | Remote Similarity | NPC101622 |
0.6932 | Remote Similarity | NPC470656 |
0.6923 | Remote Similarity | NPC85831 |
0.6923 | Remote Similarity | NPC265921 |
0.6923 | Remote Similarity | NPC215215 |
0.6905 | Remote Similarity | NPC473251 |
0.6905 | Remote Similarity | NPC42586 |
0.6901 | Remote Similarity | NPC274704 |
0.6901 | Remote Similarity | NPC475251 |
0.6897 | Remote Similarity | NPC470817 |
0.6892 | Remote Similarity | NPC69649 |
0.6892 | Remote Similarity | NPC68703 |
0.6892 | Remote Similarity | NPC259299 |
0.6883 | Remote Similarity | NPC474140 |
0.6875 | Remote Similarity | NPC3852 |
0.6857 | Remote Similarity | NPC5698 |
0.6857 | Remote Similarity | NPC475931 |
0.6854 | Remote Similarity | NPC189513 |
0.6849 | Remote Similarity | NPC471200 |
0.6849 | Remote Similarity | NPC19569 |
0.6849 | Remote Similarity | NPC61503 |
0.6842 | Remote Similarity | NPC4299 |
0.6835 | Remote Similarity | NPC61863 |
0.6824 | Remote Similarity | NPC470836 |
0.6818 | Remote Similarity | NPC94127 |
0.6806 | Remote Similarity | NPC473759 |
0.6806 | Remote Similarity | NPC474155 |
0.68 | Remote Similarity | NPC305698 |
0.68 | Remote Similarity | NPC224532 |
0.68 | Remote Similarity | NPC160209 |
0.6786 | Remote Similarity | NPC471301 |
0.6786 | Remote Similarity | NPC471302 |
0.6778 | Remote Similarity | NPC286612 |
0.6778 | Remote Similarity | NPC477969 |
0.6778 | Remote Similarity | NPC275310 |
0.6778 | Remote Similarity | NPC230347 |
0.6778 | Remote Similarity | NPC135224 |
0.6778 | Remote Similarity | NPC477970 |
0.6778 | Remote Similarity | NPC100892 |
0.6778 | Remote Similarity | NPC13924 |
0.6769 | Remote Similarity | NPC329773 |
0.6765 | Remote Similarity | NPC223604 |
0.6761 | Remote Similarity | NPC323153 |
0.6761 | Remote Similarity | NPC99487 |
0.6761 | Remote Similarity | NPC66020 |
0.6757 | Remote Similarity | NPC149680 |
0.6753 | Remote Similarity | NPC471662 |
0.6753 | Remote Similarity | NPC472254 |
0.6753 | Remote Similarity | NPC306085 |
0.675 | Remote Similarity | NPC473756 |
0.675 | Remote Similarity | NPC40049 |
0.6747 | Remote Similarity | NPC471298 |
0.6747 | Remote Similarity | NPC20072 |
0.6744 | Remote Similarity | NPC474832 |
0.6742 | Remote Similarity | NPC277721 |
0.6742 | Remote Similarity | NPC267266 |
0.6714 | Remote Similarity | NPC475830 |
0.6712 | Remote Similarity | NPC140233 |
0.6712 | Remote Similarity | NPC290367 |
0.6712 | Remote Similarity | NPC469723 |
0.6712 | Remote Similarity | NPC287744 |
0.6711 | Remote Similarity | NPC22301 |
0.6711 | Remote Similarity | NPC144647 |
0.6709 | Remote Similarity | NPC319090 |
0.6709 | Remote Similarity | NPC324762 |
0.6709 | Remote Similarity | NPC328104 |
0.6667 | Remote Similarity | NPC263079 |
0.6667 | Remote Similarity | NPC472810 |
0.6667 | Remote Similarity | NPC68443 |
0.6667 | Remote Similarity | NPC165651 |
0.6667 | Remote Similarity | NPC210560 |
0.6667 | Remote Similarity | NPC471297 |
0.6667 | Remote Similarity | NPC477791 |
0.6667 | Remote Similarity | NPC197805 |
0.6667 | Remote Similarity | NPC309656 |
0.6667 | Remote Similarity | NPC248312 |
0.6667 | Remote Similarity | NPC477089 |
0.6667 | Remote Similarity | NPC63111 |
0.6667 | Remote Similarity | NPC24824 |
0.6667 | Remote Similarity | NPC136813 |
0.6667 | Remote Similarity | NPC225342 |
0.6667 | Remote Similarity | NPC472809 |
0.6667 | Remote Similarity | NPC87439 |
0.6667 | Remote Similarity | NPC1761 |
0.6667 | Remote Similarity | NPC73603 |
0.6667 | Remote Similarity | NPC52609 |
0.663 | Remote Similarity | NPC98112 |
0.663 | Remote Similarity | NPC76266 |
0.6629 | Remote Similarity | NPC302584 |
0.6629 | Remote Similarity | NPC477122 |
0.6629 | Remote Similarity | NPC179517 |
0.6629 | Remote Similarity | NPC165904 |
0.6628 | Remote Similarity | NPC118266 |
0.6628 | Remote Similarity | NPC471480 |
0.6627 | Remote Similarity | NPC470241 |
0.6625 | Remote Similarity | NPC476317 |
0.6625 | Remote Similarity | NPC293223 |
0.6625 | Remote Similarity | NPC12740 |
0.6625 | Remote Similarity | NPC110461 |
0.6625 | Remote Similarity | NPC329626 |
0.6625 | Remote Similarity | NPC152017 |
0.6623 | Remote Similarity | NPC34834 |
0.6623 | Remote Similarity | NPC471781 |
0.6622 | Remote Similarity | NPC308844 |
0.6618 | Remote Similarity | NPC286752 |
0.6615 | Remote Similarity | NPC98284 |
0.6591 | Remote Similarity | NPC470734 |
0.6591 | Remote Similarity | NPC477917 |
0.6588 | Remote Similarity | NPC166279 |
0.6588 | Remote Similarity | NPC46320 |
0.6585 | Remote Similarity | NPC170561 |
0.6585 | Remote Similarity | NPC100906 |
0.6585 | Remote Similarity | NPC89128 |
0.6582 | Remote Similarity | NPC190859 |
0.6582 | Remote Similarity | NPC329090 |
0.6582 | Remote Similarity | NPC471525 |
0.6582 | Remote Similarity | NPC27395 |
0.6582 | Remote Similarity | NPC471659 |
0.6579 | Remote Similarity | NPC208999 |
0.6579 | Remote Similarity | NPC167527 |
0.6579 | Remote Similarity | NPC216460 |
0.6575 | Remote Similarity | NPC473508 |
0.6571 | Remote Similarity | NPC278550 |
0.6571 | Remote Similarity | NPC52012 |
0.6559 | Remote Similarity | NPC473154 |
0.6559 | Remote Similarity | NPC5358 |
0.6559 | Remote Similarity | NPC216260 |
0.6556 | Remote Similarity | NPC474792 |
0.6556 | Remote Similarity | NPC91654 |
0.6556 | Remote Similarity | NPC470923 |
0.6556 | Remote Similarity | NPC242419 |
0.6556 | Remote Similarity | NPC67398 |
0.6556 | Remote Similarity | NPC166346 |
0.6556 | Remote Similarity | NPC235126 |
0.6548 | Remote Similarity | NPC155521 |
0.6548 | Remote Similarity | NPC89555 |
0.6543 | Remote Similarity | NPC283619 |
0.6538 | Remote Similarity | NPC167706 |
0.6538 | Remote Similarity | NPC242001 |
0.6533 | Remote Similarity | NPC162309 |
0.6533 | Remote Similarity | NPC286669 |
0.6533 | Remote Similarity | NPC222366 |
0.6533 | Remote Similarity | NPC311736 |
0.6533 | Remote Similarity | NPC476039 |
0.6533 | Remote Similarity | NPC267027 |
0.6528 | Remote Similarity | NPC240506 |
0.6528 | Remote Similarity | NPC252809 |
0.6522 | Remote Similarity | NPC148163 |
0.6522 | Remote Similarity | NPC281590 |
0.6522 | Remote Similarity | NPC207617 |
0.6522 | Remote Similarity | NPC148216 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470040 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 |
---|---|---|---|
0.6582 | Remote Similarity | NPD6924 | Approved |
0.6582 | Remote Similarity | NPD6926 | Approved |
0.6528 | Remote Similarity | NPD1145 | Discontinued |
0.6522 | Remote Similarity | NPD342 | Phase 1 |
0.6438 | Remote Similarity | NPD368 | Approved |
0.642 | Remote Similarity | NPD6933 | Approved |
0.6395 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6353 | Remote Similarity | NPD6435 | Approved |
0.6322 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.631 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.631 | Remote Similarity | NPD7509 | Discontinued |
0.631 | Remote Similarity | NPD7525 | Registered |
0.6296 | Remote Similarity | NPD7339 | Approved |
0.6296 | Remote Similarity | NPD6942 | Approved |
0.6282 | Remote Similarity | NPD6922 | Approved |
0.6282 | Remote Similarity | NPD6923 | Approved |
0.6279 | Remote Similarity | NPD6695 | Phase 3 |
0.622 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6207 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6203 | Remote Similarity | NPD7143 | Approved |
0.6203 | Remote Similarity | NPD7144 | Approved |
0.619 | Remote Similarity | NPD6929 | Approved |
0.619 | Remote Similarity | NPD7645 | Phase 2 |
0.6125 | Remote Similarity | NPD7151 | Approved |
0.6125 | Remote Similarity | NPD7152 | Approved |
0.6125 | Remote Similarity | NPD7150 | Approved |
0.6118 | Remote Similarity | NPD6931 | Approved |
0.6118 | Remote Similarity | NPD4820 | Approved |
0.6118 | Remote Similarity | NPD4819 | Approved |
0.6118 | Remote Similarity | NPD6930 | Phase 2 |
0.6118 | Remote Similarity | NPD4822 | Approved |
0.6118 | Remote Similarity | NPD4821 | Approved |
0.6118 | Remote Similarity | NPD5368 | Approved |
0.6092 | Remote Similarity | NPD7154 | Phase 3 |
0.6092 | Remote Similarity | NPD5362 | Discontinued |
0.6071 | Remote Similarity | NPD4268 | Approved |
0.6071 | Remote Similarity | NPD4271 | Approved |
0.6047 | Remote Similarity | NPD5369 | Approved |
0.6 | Remote Similarity | NPD7750 | Discontinued |
0.6 | Remote Similarity | NPD7524 | Approved |
0.6 | Remote Similarity | NPD4250 | Approved |
0.6 | Remote Similarity | NPD4251 | Approved |
0.5952 | Remote Similarity | NPD6925 | Approved |
0.5952 | Remote Similarity | NPD6932 | Approved |
0.5952 | Remote Similarity | NPD5776 | Phase 2 |
0.5941 | Remote Similarity | NPD6412 | Phase 2 |
0.5926 | Remote Similarity | NPD4243 | Approved |
0.5909 | Remote Similarity | NPD5332 | Approved |
0.5909 | Remote Similarity | NPD5331 | Approved |
0.5909 | Remote Similarity | NPD4265 | Approved |
0.5904 | Remote Similarity | NPD8264 | Approved |
0.5889 | Remote Similarity | NPD4249 | Approved |
0.5882 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD6686 | Approved |
0.5882 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD7145 | Approved |
0.587 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD6101 | Approved |
0.5862 | Remote Similarity | NPD4790 | Discontinued |
0.5851 | Remote Similarity | NPD6399 | Phase 3 |
0.5843 | Remote Similarity | NPD4786 | Approved |
0.5814 | Remote Similarity | NPD6683 | Phase 2 |
0.5806 | Remote Similarity | NPD7838 | Discovery |
0.5806 | Remote Similarity | NPD3168 | Discontinued |
0.5795 | Remote Similarity | NPD3667 | Approved |
0.5795 | Remote Similarity | NPD4269 | Approved |
0.5795 | Remote Similarity | NPD4270 | Approved |
0.5783 | Remote Similarity | NPD4785 | Approved |
0.5783 | Remote Similarity | NPD4784 | Approved |
0.5778 | Remote Similarity | NPD6893 | Approved |
0.5769 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5747 | Remote Similarity | NPD7332 | Phase 2 |
0.5747 | Remote Similarity | NPD7514 | Phase 3 |
0.5745 | Remote Similarity | NPD7087 | Discontinued |
0.5745 | Remote Similarity | NPD6411 | Approved |
0.5729 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5786 | Approved |
0.5696 | Remote Similarity | NPD7331 | Phase 2 |
0.5684 | Remote Similarity | NPD5778 | Approved |
0.5684 | Remote Similarity | NPD5779 | Approved |
0.5682 | Remote Similarity | NPD6898 | Phase 1 |
0.5682 | Remote Similarity | NPD6902 | Approved |
0.5667 | Remote Similarity | NPD3666 | Approved |
0.5667 | Remote Similarity | NPD3665 | Phase 1 |
0.5667 | Remote Similarity | NPD3133 | Approved |
0.5638 | Remote Similarity | NPD6698 | Approved |
0.5638 | Remote Similarity | NPD46 | Approved |
0.5625 | Remote Similarity | NPD5282 | Discontinued |
0.5618 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD6084 | Phase 2 |
0.5612 | Remote Similarity | NPD6083 | Phase 2 |
0.5604 | Remote Similarity | NPD5363 | Approved |
PubChem CID   | 53321984 |
ChEMBL   | CHEMBL1652222 |
ZINC   |
Molecular Weight:   | 306.26 |
ALogP:   | 2.5553 |
MLogP:   | 3.44 |
XLogP:   | 6.148 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 29.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 22 |