Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10 | ug/ml | 24275249 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | > | 10 | ug/ml | 18183025 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 10 | ug/ml | 18474575 |
NPT547 | Cell Line | BGC-823 | Homo sapiens | IC50 | > | 10 | ug/ml | 26854381 |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | > | 10 | ug/ml | 10514299 |
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 NPC266578 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 |
---|---|---|
0.9844 | High Similarity | NPC234511 |
0.9692 | High Similarity | NPC283316 |
0.9091 | High Similarity | NPC245795 |
0.8939 | High Similarity | NPC269077 |
0.8939 | High Similarity | NPC253303 |
0.8923 | High Similarity | NPC258595 |
0.8806 | High Similarity | NPC276616 |
0.8769 | High Similarity | NPC101128 |
0.8485 | Intermediate Similarity | NPC68656 |
0.8472 | Intermediate Similarity | NPC63958 |
0.8382 | Intermediate Similarity | NPC185874 |
0.8382 | Intermediate Similarity | NPC139207 |
0.8358 | Intermediate Similarity | NPC11555 |
0.8358 | Intermediate Similarity | NPC60837 |
0.8358 | Intermediate Similarity | NPC282619 |
0.8358 | Intermediate Similarity | NPC172613 |
0.8358 | Intermediate Similarity | NPC208198 |
0.8358 | Intermediate Similarity | NPC2728 |
0.8333 | Intermediate Similarity | NPC32832 |
0.831 | Intermediate Similarity | NPC220939 |
0.831 | Intermediate Similarity | NPC95165 |
0.831 | Intermediate Similarity | NPC265485 |
0.8261 | Intermediate Similarity | NPC244790 |
0.8243 | Intermediate Similarity | NPC31828 |
0.8243 | Intermediate Similarity | NPC52755 |
0.8235 | Intermediate Similarity | NPC475897 |
0.8209 | Intermediate Similarity | NPC144650 |
0.8169 | Intermediate Similarity | NPC23954 |
0.8158 | Intermediate Similarity | NPC249423 |
0.8143 | Intermediate Similarity | NPC9942 |
0.8133 | Intermediate Similarity | NPC476316 |
0.8 | Intermediate Similarity | NPC472501 |
0.8 | Intermediate Similarity | NPC472502 |
0.8 | Intermediate Similarity | NPC475 |
0.8 | Intermediate Similarity | NPC472500 |
0.8 | Intermediate Similarity | NPC474769 |
0.8 | Intermediate Similarity | NPC472499 |
0.8 | Intermediate Similarity | NPC189290 |
0.7971 | Intermediate Similarity | NPC473929 |
0.7971 | Intermediate Similarity | NPC476406 |
0.7945 | Intermediate Similarity | NPC308440 |
0.7945 | Intermediate Similarity | NPC472503 |
0.7945 | Intermediate Similarity | NPC476366 |
0.7945 | Intermediate Similarity | NPC306727 |
0.7945 | Intermediate Similarity | NPC201048 |
0.7917 | Intermediate Similarity | NPC167706 |
0.7895 | Intermediate Similarity | NPC24504 |
0.7895 | Intermediate Similarity | NPC475727 |
0.7895 | Intermediate Similarity | NPC472742 |
0.7895 | Intermediate Similarity | NPC80297 |
0.7895 | Intermediate Similarity | NPC116119 |
0.7867 | Intermediate Similarity | NPC307336 |
0.7867 | Intermediate Similarity | NPC470711 |
0.7867 | Intermediate Similarity | NPC260301 |
0.7867 | Intermediate Similarity | NPC31037 |
0.7867 | Intermediate Similarity | NPC470758 |
0.7857 | Intermediate Similarity | NPC101307 |
0.7857 | Intermediate Similarity | NPC88454 |
0.7857 | Intermediate Similarity | NPC117607 |
0.7848 | Intermediate Similarity | NPC256567 |
0.7838 | Intermediate Similarity | NPC185536 |
0.7838 | Intermediate Similarity | NPC144075 |
0.7826 | Intermediate Similarity | NPC300442 |
0.7812 | Intermediate Similarity | NPC84824 |
0.7812 | Intermediate Similarity | NPC67508 |
0.7792 | Intermediate Similarity | NPC475679 |
0.7792 | Intermediate Similarity | NPC47149 |
0.7763 | Intermediate Similarity | NPC472342 |
0.7763 | Intermediate Similarity | NPC301707 |
0.775 | Intermediate Similarity | NPC470360 |
0.7733 | Intermediate Similarity | NPC265588 |
0.7733 | Intermediate Similarity | NPC253190 |
0.7733 | Intermediate Similarity | NPC470749 |
0.7722 | Intermediate Similarity | NPC211135 |
0.7722 | Intermediate Similarity | NPC470929 |
0.7722 | Intermediate Similarity | NPC216420 |
0.7722 | Intermediate Similarity | NPC477978 |
0.7722 | Intermediate Similarity | NPC232023 |
0.7722 | Intermediate Similarity | NPC85095 |
0.7714 | Intermediate Similarity | NPC202017 |
0.7703 | Intermediate Similarity | NPC476736 |
0.7692 | Intermediate Similarity | NPC242350 |
0.7692 | Intermediate Similarity | NPC264779 |
0.7692 | Intermediate Similarity | NPC476646 |
0.7692 | Intermediate Similarity | NPC24443 |
0.7681 | Intermediate Similarity | NPC94897 |
0.7681 | Intermediate Similarity | NPC219940 |
0.7671 | Intermediate Similarity | NPC164022 |
0.7671 | Intermediate Similarity | NPC242992 |
0.7662 | Intermediate Similarity | NPC5604 |
0.7654 | Intermediate Similarity | NPC299068 |
0.7654 | Intermediate Similarity | NPC6391 |
0.7639 | Intermediate Similarity | NPC210323 |
0.7632 | Intermediate Similarity | NPC91594 |
0.7632 | Intermediate Similarity | NPC130136 |
0.7632 | Intermediate Similarity | NPC471798 |
0.7632 | Intermediate Similarity | NPC331618 |
0.7632 | Intermediate Similarity | NPC248830 |
0.7632 | Intermediate Similarity | NPC202540 |
0.7632 | Intermediate Similarity | NPC257191 |
0.7632 | Intermediate Similarity | NPC138502 |
0.7632 | Intermediate Similarity | NPC119355 |
0.7632 | Intermediate Similarity | NPC212241 |
0.7625 | Intermediate Similarity | NPC86238 |
0.7606 | Intermediate Similarity | NPC476650 |
0.76 | Intermediate Similarity | NPC3403 |
0.76 | Intermediate Similarity | NPC133580 |
0.7595 | Intermediate Similarity | NPC155521 |
0.759 | Intermediate Similarity | NPC470361 |
0.7571 | Intermediate Similarity | NPC86856 |
0.7568 | Intermediate Similarity | NPC472506 |
0.7568 | Intermediate Similarity | NPC211009 |
0.7564 | Intermediate Similarity | NPC96362 |
0.7564 | Intermediate Similarity | NPC471266 |
0.7564 | Intermediate Similarity | NPC95124 |
0.7564 | Intermediate Similarity | NPC324772 |
0.7534 | Intermediate Similarity | NPC45296 |
0.7534 | Intermediate Similarity | NPC92801 |
0.7534 | Intermediate Similarity | NPC34834 |
0.7532 | Intermediate Similarity | NPC477817 |
0.7532 | Intermediate Similarity | NPC477819 |
0.7531 | Intermediate Similarity | NPC164424 |
0.75 | Intermediate Similarity | NPC329596 |
0.75 | Intermediate Similarity | NPC80561 |
0.75 | Intermediate Similarity | NPC78067 |
0.75 | Intermediate Similarity | NPC278091 |
0.75 | Intermediate Similarity | NPC113978 |
0.75 | Intermediate Similarity | NPC93662 |
0.75 | Intermediate Similarity | NPC11216 |
0.75 | Intermediate Similarity | NPC3345 |
0.75 | Intermediate Similarity | NPC291484 |
0.75 | Intermediate Similarity | NPC38141 |
0.75 | Intermediate Similarity | NPC91573 |
0.75 | Intermediate Similarity | NPC2648 |
0.75 | Intermediate Similarity | NPC204188 |
0.75 | Intermediate Similarity | NPC96484 |
0.7468 | Intermediate Similarity | NPC157655 |
0.7468 | Intermediate Similarity | NPC470383 |
0.7468 | Intermediate Similarity | NPC320525 |
0.7468 | Intermediate Similarity | NPC471270 |
0.7467 | Intermediate Similarity | NPC91858 |
0.7463 | Intermediate Similarity | NPC47663 |
0.7439 | Intermediate Similarity | NPC121981 |
0.7439 | Intermediate Similarity | NPC201273 |
0.7439 | Intermediate Similarity | NPC261266 |
0.7436 | Intermediate Similarity | NPC476367 |
0.7436 | Intermediate Similarity | NPC472463 |
0.7436 | Intermediate Similarity | NPC72755 |
0.7432 | Intermediate Similarity | NPC471272 |
0.7432 | Intermediate Similarity | NPC164045 |
0.7432 | Intermediate Similarity | NPC111234 |
0.7432 | Intermediate Similarity | NPC301226 |
0.7432 | Intermediate Similarity | NPC477792 |
0.7429 | Intermediate Similarity | NPC96793 |
0.7429 | Intermediate Similarity | NPC323424 |
0.7412 | Intermediate Similarity | NPC41554 |
0.7412 | Intermediate Similarity | NPC97404 |
0.7407 | Intermediate Similarity | NPC83702 |
0.7403 | Intermediate Similarity | NPC169994 |
0.7397 | Intermediate Similarity | NPC474248 |
0.7391 | Intermediate Similarity | NPC282694 |
0.7391 | Intermediate Similarity | NPC79576 |
0.7391 | Intermediate Similarity | NPC41160 |
0.7391 | Intermediate Similarity | NPC194208 |
0.7381 | Intermediate Similarity | NPC101886 |
0.7381 | Intermediate Similarity | NPC187785 |
0.7381 | Intermediate Similarity | NPC128066 |
0.7381 | Intermediate Similarity | NPC259875 |
0.7381 | Intermediate Similarity | NPC194642 |
0.7375 | Intermediate Similarity | NPC218616 |
0.7375 | Intermediate Similarity | NPC296701 |
0.7368 | Intermediate Similarity | NPC231256 |
0.7368 | Intermediate Similarity | NPC103822 |
0.7368 | Intermediate Similarity | NPC104387 |
0.7368 | Intermediate Similarity | NPC212879 |
0.7368 | Intermediate Similarity | NPC230704 |
0.7368 | Intermediate Similarity | NPC240235 |
0.7368 | Intermediate Similarity | NPC70982 |
0.7368 | Intermediate Similarity | NPC178383 |
0.7361 | Intermediate Similarity | NPC68703 |
0.7361 | Intermediate Similarity | NPC69649 |
0.7361 | Intermediate Similarity | NPC74885 |
0.7361 | Intermediate Similarity | NPC308522 |
0.7349 | Intermediate Similarity | NPC44538 |
0.7349 | Intermediate Similarity | NPC477600 |
0.7349 | Intermediate Similarity | NPC476948 |
0.7342 | Intermediate Similarity | NPC295131 |
0.7342 | Intermediate Similarity | NPC71535 |
0.7342 | Intermediate Similarity | NPC78545 |
0.7342 | Intermediate Similarity | NPC236707 |
0.7333 | Intermediate Similarity | NPC182717 |
0.7326 | Intermediate Similarity | NPC119379 |
0.7324 | Intermediate Similarity | NPC471200 |
0.7324 | Intermediate Similarity | NPC64123 |
0.7308 | Intermediate Similarity | NPC253807 |
0.7308 | Intermediate Similarity | NPC98386 |
0.7308 | Intermediate Similarity | NPC158662 |
0.7308 | Intermediate Similarity | NPC148977 |
0.7308 | Intermediate Similarity | NPC285761 |
0.7308 | Intermediate Similarity | NPC11908 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC266578 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 |
---|---|---|---|
0.7564 | Intermediate Similarity | NPD6931 | Approved |
0.7564 | Intermediate Similarity | NPD6930 | Phase 2 |
0.7436 | Intermediate Similarity | NPD6929 | Approved |
0.7284 | Intermediate Similarity | NPD6695 | Phase 3 |
0.7215 | Intermediate Similarity | NPD7645 | Phase 2 |
0.7195 | Intermediate Similarity | NPD7338 | Clinical (unspecified phase) |
0.7179 | Intermediate Similarity | NPD6925 | Approved |
0.7179 | Intermediate Similarity | NPD5776 | Phase 2 |
0.7143 | Intermediate Similarity | NPD368 | Approved |
0.7125 | Intermediate Similarity | NPD7332 | Phase 2 |
0.7125 | Intermediate Similarity | NPD7514 | Phase 3 |
0.7125 | Intermediate Similarity | NPD7525 | Registered |
0.7108 | Intermediate Similarity | NPD6893 | Approved |
0.7089 | Intermediate Similarity | NPD7145 | Approved |
0.7037 | Intermediate Similarity | NPD6898 | Phase 1 |
0.6962 | Remote Similarity | NPD6932 | Approved |
0.6944 | Remote Similarity | NPD371 | Approved |
0.6941 | Remote Similarity | NPD7750 | Discontinued |
0.6941 | Remote Similarity | NPD7524 | Approved |
0.6941 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6835 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6829 | Remote Similarity | NPD6902 | Approved |
0.6825 | Remote Similarity | NPD385 | Approved |
0.6825 | Remote Similarity | NPD384 | Approved |
0.6795 | Remote Similarity | NPD6926 | Approved |
0.6795 | Remote Similarity | NPD6924 | Approved |
0.679 | Remote Similarity | NPD6683 | Phase 2 |
0.6709 | Remote Similarity | NPD7339 | Approved |
0.6709 | Remote Similarity | NPD6942 | Approved |
0.6629 | Remote Similarity | NPD7087 | Discontinued |
0.6625 | Remote Similarity | NPD6933 | Approved |
0.6522 | Remote Similarity | NPD342 | Phase 1 |
0.6512 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.6506 | Remote Similarity | NPD7509 | Discontinued |
0.65 | Remote Similarity | NPD8264 | Approved |
0.6494 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6463 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6437 | Remote Similarity | NPD3618 | Phase 1 |
0.6406 | Remote Similarity | NPD386 | Approved |
0.6406 | Remote Similarity | NPD388 | Approved |
0.6353 | Remote Similarity | NPD3667 | Approved |
0.6329 | Remote Similarity | NPD4243 | Approved |
0.6316 | Remote Similarity | NPD7640 | Approved |
0.6316 | Remote Similarity | NPD7639 | Approved |
0.631 | Remote Similarity | NPD4748 | Discontinued |
0.6282 | Remote Similarity | NPD6922 | Approved |
0.6282 | Remote Similarity | NPD6923 | Approved |
0.6279 | Remote Similarity | NPD4788 | Approved |
0.625 | Remote Similarity | NPD4732 | Discontinued |
0.6222 | Remote Similarity | NPD5328 | Approved |
0.6211 | Remote Similarity | NPD7638 | Approved |
0.6207 | Remote Similarity | NPD3133 | Approved |
0.6207 | Remote Similarity | NPD3665 | Phase 1 |
0.6207 | Remote Similarity | NPD4786 | Approved |
0.6207 | Remote Similarity | NPD3666 | Approved |
0.6203 | Remote Similarity | NPD7143 | Approved |
0.6203 | Remote Similarity | NPD7144 | Approved |
0.6196 | Remote Similarity | NPD4202 | Approved |
0.6186 | Remote Similarity | NPD5211 | Phase 2 |
0.6173 | Remote Similarity | NPD4785 | Approved |
0.6173 | Remote Similarity | NPD4784 | Approved |
0.6154 | Remote Similarity | NPD7136 | Phase 2 |
0.6125 | Remote Similarity | NPD7150 | Approved |
0.6125 | Remote Similarity | NPD7151 | Approved |
0.6125 | Remote Similarity | NPD7152 | Approved |
0.6105 | Remote Similarity | NPD4755 | Approved |
0.6098 | Remote Similarity | NPD5275 | Approved |
0.6098 | Remote Similarity | NPD4190 | Phase 3 |
0.6098 | Remote Similarity | NPD3703 | Phase 2 |
0.6087 | Remote Similarity | NPD7637 | Suspended |
0.6087 | Remote Similarity | NPD6079 | Approved |
0.6087 | Remote Similarity | NPD7515 | Phase 2 |
0.6082 | Remote Similarity | NPD5344 | Discontinued |
0.6081 | Remote Similarity | NPD1145 | Discontinued |
0.6061 | Remote Similarity | NPD5141 | Approved |
0.6044 | Remote Similarity | NPD4753 | Phase 2 |
0.6042 | Remote Similarity | NPD4225 | Approved |
0.6022 | Remote Similarity | NPD5779 | Approved |
0.6022 | Remote Similarity | NPD5778 | Approved |
0.6 | Remote Similarity | NPD4787 | Phase 1 |
0.6 | Remote Similarity | NPD4195 | Approved |
0.5979 | Remote Similarity | NPD4700 | Approved |
0.5979 | Remote Similarity | NPD4696 | Approved |
0.5979 | Remote Similarity | NPD5286 | Approved |
0.5979 | Remote Similarity | NPD5285 | Approved |
0.5978 | Remote Similarity | NPD3168 | Discontinued |
0.5976 | Remote Similarity | NPD1810 | Approved |
0.5976 | Remote Similarity | NPD1811 | Approved |
0.5918 | Remote Similarity | NPD4159 | Approved |
0.5914 | Remote Similarity | NPD8034 | Phase 2 |
0.5914 | Remote Similarity | NPD8035 | Phase 2 |
0.5889 | Remote Similarity | NPD4623 | Approved |
0.5889 | Remote Similarity | NPD4519 | Discontinued |
0.5882 | Remote Similarity | NPD6697 | Approved |
0.5882 | Remote Similarity | NPD6118 | Approved |
0.5882 | Remote Similarity | NPD6115 | Approved |
0.5882 | Remote Similarity | NPD6114 | Approved |
0.5882 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5875 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5875 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD5226 | Approved |
0.5859 | Remote Similarity | NPD4633 | Approved |
0.5859 | Remote Similarity | NPD5224 | Approved |
0.5859 | Remote Similarity | NPD5225 | Approved |
0.5859 | Remote Similarity | NPD7632 | Discontinued |
0.5833 | Remote Similarity | NPD5222 | Approved |
0.5833 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD4697 | Phase 3 |
0.5833 | Remote Similarity | NPD5221 | Approved |
0.5825 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD6648 | Approved |
0.58 | Remote Similarity | NPD5175 | Approved |
0.58 | Remote Similarity | NPD5174 | Approved |
0.5795 | Remote Similarity | NPD4221 | Approved |
0.5795 | Remote Similarity | NPD4223 | Phase 3 |
0.5789 | Remote Similarity | NPD7748 | Approved |
0.5773 | Remote Similarity | NPD5173 | Approved |
0.5769 | Remote Similarity | NPD4634 | Approved |
0.5769 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD5223 | Approved |
0.5732 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD5210 | Approved |
0.5729 | Remote Similarity | NPD4629 | Approved |
0.5714 | Remote Similarity | NPD5290 | Discontinued |
0.5714 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5279 | Phase 3 |
0.5688 | Remote Similarity | NPD7328 | Approved |
0.5688 | Remote Similarity | NPD7327 | Approved |
0.5686 | Remote Similarity | NPD5739 | Approved |
0.5686 | Remote Similarity | NPD4768 | Approved |
0.5686 | Remote Similarity | NPD6675 | Approved |
0.5686 | Remote Similarity | NPD7128 | Approved |
0.5686 | Remote Similarity | NPD6402 | Approved |
0.5686 | Remote Similarity | NPD4767 | Approved |
0.5679 | Remote Similarity | NPD3698 | Phase 2 |
0.5667 | Remote Similarity | NPD3668 | Phase 3 |
0.5667 | Remote Similarity | NPD4197 | Approved |
0.5647 | Remote Similarity | NPD6117 | Approved |
0.5644 | Remote Similarity | NPD4754 | Approved |
0.5636 | Remote Similarity | NPD7516 | Approved |
0.5631 | Remote Similarity | NPD5697 | Approved |
0.5631 | Remote Similarity | NPD5701 | Approved |
0.5619 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD6084 | Phase 2 |
0.5612 | Remote Similarity | NPD7902 | Approved |
0.5612 | Remote Similarity | NPD6083 | Phase 2 |
0.561 | Remote Similarity | NPD4244 | Approved |
0.561 | Remote Similarity | NPD4245 | Approved |
0.5607 | Remote Similarity | NPD8133 | Approved |
0.5604 | Remote Similarity | NPD1696 | Phase 3 |
0.5604 | Remote Similarity | NPD5329 | Approved |
PubChem CID   | 21589752 |
ChEMBL   | CHEMBL512939 |
ZINC   |
Molecular Weight:   | 238.19 |
ALogP:   | 0.1793 |
MLogP:   | 2.89 |
XLogP:   | 2.917 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 40.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 17 |