Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 20 | ug/ml | Open TG-GATES in vivo data: Biochemistry |
NPT2 | Others | Unspecified | IC50 | > | 20 | ug/ml | 17123818 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 20 | ug/ml | 23268694 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 20 | ug/ml | 23268694 |
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 NPC471525 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 |
---|---|---|
0.8732 | High Similarity | NPC129630 |
0.8667 | High Similarity | NPC477089 |
0.8571 | High Similarity | NPC474894 |
0.8333 | Intermediate Similarity | NPC239373 |
0.8333 | Intermediate Similarity | NPC246621 |
0.8333 | Intermediate Similarity | NPC329989 |
0.8312 | Intermediate Similarity | NPC476701 |
0.8289 | Intermediate Similarity | NPC476703 |
0.8243 | Intermediate Similarity | NPC476709 |
0.8194 | Intermediate Similarity | NPC272961 |
0.8194 | Intermediate Similarity | NPC305698 |
0.8158 | Intermediate Similarity | NPC236228 |
0.8158 | Intermediate Similarity | NPC170148 |
0.8158 | Intermediate Similarity | NPC256720 |
0.8133 | Intermediate Similarity | NPC190859 |
0.8077 | Intermediate Similarity | NPC471537 |
0.8056 | Intermediate Similarity | NPC259299 |
0.7975 | Intermediate Similarity | NPC474592 |
0.7922 | Intermediate Similarity | NPC271070 |
0.7922 | Intermediate Similarity | NPC301525 |
0.7901 | Intermediate Similarity | NPC231601 |
0.7848 | Intermediate Similarity | NPC233295 |
0.7838 | Intermediate Similarity | NPC101622 |
0.7838 | Intermediate Similarity | NPC304690 |
0.7838 | Intermediate Similarity | NPC472947 |
0.7838 | Intermediate Similarity | NPC74722 |
0.7826 | Intermediate Similarity | NPC122239 |
0.7821 | Intermediate Similarity | NPC84360 |
0.7763 | Intermediate Similarity | NPC329763 |
0.7733 | Intermediate Similarity | NPC4299 |
0.7722 | Intermediate Similarity | NPC68119 |
0.7722 | Intermediate Similarity | NPC13823 |
0.7714 | Intermediate Similarity | NPC127824 |
0.7671 | Intermediate Similarity | NPC267027 |
0.7619 | Intermediate Similarity | NPC281316 |
0.7619 | Intermediate Similarity | NPC255143 |
0.76 | Intermediate Similarity | NPC16964 |
0.76 | Intermediate Similarity | NPC329656 |
0.7595 | Intermediate Similarity | NPC40049 |
0.759 | Intermediate Similarity | NPC78673 |
0.759 | Intermediate Similarity | NPC160517 |
0.759 | Intermediate Similarity | NPC186155 |
0.7571 | Intermediate Similarity | NPC475931 |
0.7571 | Intermediate Similarity | NPC83838 |
0.7571 | Intermediate Similarity | NPC143810 |
0.7536 | Intermediate Similarity | NPC52012 |
0.7531 | Intermediate Similarity | NPC474739 |
0.7529 | Intermediate Similarity | NPC474765 |
0.75 | Intermediate Similarity | NPC223604 |
0.7471 | Intermediate Similarity | NPC3952 |
0.747 | Intermediate Similarity | NPC23748 |
0.747 | Intermediate Similarity | NPC49208 |
0.7465 | Intermediate Similarity | NPC469694 |
0.7429 | Intermediate Similarity | NPC226848 |
0.7412 | Intermediate Similarity | NPC61527 |
0.7412 | Intermediate Similarity | NPC311163 |
0.7407 | Intermediate Similarity | NPC325869 |
0.7403 | Intermediate Similarity | NPC477084 |
0.7403 | Intermediate Similarity | NPC472254 |
0.7375 | Intermediate Similarity | NPC471454 |
0.7368 | Intermediate Similarity | NPC269841 |
0.7356 | Intermediate Similarity | NPC49783 |
0.7349 | Intermediate Similarity | NPC477385 |
0.7349 | Intermediate Similarity | NPC477390 |
0.7349 | Intermediate Similarity | NPC474291 |
0.7349 | Intermediate Similarity | NPC471408 |
0.7342 | Intermediate Similarity | NPC12696 |
0.7333 | Intermediate Similarity | NPC33583 |
0.7333 | Intermediate Similarity | NPC82337 |
0.7333 | Intermediate Similarity | NPC193029 |
0.7333 | Intermediate Similarity | NPC473357 |
0.7333 | Intermediate Similarity | NPC161612 |
0.7333 | Intermediate Similarity | NPC472255 |
0.7333 | Intermediate Similarity | NPC472253 |
0.7333 | Intermediate Similarity | NPC73603 |
0.7308 | Intermediate Similarity | NPC477085 |
0.7308 | Intermediate Similarity | NPC143576 |
0.7297 | Intermediate Similarity | NPC308844 |
0.7294 | Intermediate Similarity | NPC11804 |
0.7294 | Intermediate Similarity | NPC298595 |
0.7294 | Intermediate Similarity | NPC471494 |
0.7273 | Intermediate Similarity | NPC473361 |
0.7273 | Intermediate Similarity | NPC329904 |
0.725 | Intermediate Similarity | NPC469880 |
0.725 | Intermediate Similarity | NPC268111 |
0.7246 | Intermediate Similarity | NPC281590 |
0.7237 | Intermediate Similarity | NPC224532 |
0.7229 | Intermediate Similarity | NPC112868 |
0.7222 | Intermediate Similarity | NPC258788 |
0.72 | Intermediate Similarity | NPC326310 |
0.72 | Intermediate Similarity | NPC311736 |
0.72 | Intermediate Similarity | NPC272125 |
0.7195 | Intermediate Similarity | NPC86971 |
0.7183 | Intermediate Similarity | NPC181872 |
0.7179 | Intermediate Similarity | NPC477086 |
0.7179 | Intermediate Similarity | NPC306085 |
0.7179 | Intermediate Similarity | NPC477087 |
0.7176 | Intermediate Similarity | NPC9868 |
0.7176 | Intermediate Similarity | NPC474776 |
0.7176 | Intermediate Similarity | NPC72464 |
0.7176 | Intermediate Similarity | NPC83702 |
0.7162 | Intermediate Similarity | NPC300593 |
0.716 | Intermediate Similarity | NPC476439 |
0.7159 | Intermediate Similarity | NPC133450 |
0.7159 | Intermediate Similarity | NPC128066 |
0.7143 | Intermediate Similarity | NPC155521 |
0.7143 | Intermediate Similarity | NPC270013 |
0.7143 | Intermediate Similarity | NPC14961 |
0.7126 | Intermediate Similarity | NPC476948 |
0.7123 | Intermediate Similarity | NPC64971 |
0.7111 | Intermediate Similarity | NPC212486 |
0.7111 | Intermediate Similarity | NPC307776 |
0.7105 | Intermediate Similarity | NPC163290 |
0.7079 | Intermediate Similarity | NPC177668 |
0.7079 | Intermediate Similarity | NPC474761 |
0.7079 | Intermediate Similarity | NPC476004 |
0.7079 | Intermediate Similarity | NPC191323 |
0.7073 | Intermediate Similarity | NPC474005 |
0.7073 | Intermediate Similarity | NPC137345 |
0.7073 | Intermediate Similarity | NPC476314 |
0.7073 | Intermediate Similarity | NPC181838 |
0.7067 | Intermediate Similarity | NPC471200 |
0.7067 | Intermediate Similarity | NPC473722 |
0.7065 | Intermediate Similarity | NPC476315 |
0.7065 | Intermediate Similarity | NPC57664 |
0.7059 | Intermediate Similarity | NPC44261 |
0.7059 | Intermediate Similarity | NPC471340 |
0.7059 | Intermediate Similarity | NPC474809 |
0.7059 | Intermediate Similarity | NPC475842 |
0.7059 | Intermediate Similarity | NPC161045 |
0.7053 | Intermediate Similarity | NPC471148 |
0.7051 | Intermediate Similarity | NPC470041 |
0.7045 | Intermediate Similarity | NPC248312 |
0.7045 | Intermediate Similarity | NPC281516 |
0.7033 | Intermediate Similarity | NPC81386 |
0.7033 | Intermediate Similarity | NPC474035 |
0.7027 | Intermediate Similarity | NPC473508 |
0.7013 | Intermediate Similarity | NPC310210 |
0.7011 | Intermediate Similarity | NPC125399 |
0.7011 | Intermediate Similarity | NPC477387 |
0.7011 | Intermediate Similarity | NPC477389 |
0.7 | Intermediate Similarity | NPC144995 |
0.7 | Intermediate Similarity | NPC227814 |
0.7 | Intermediate Similarity | NPC227135 |
0.7 | Intermediate Similarity | NPC107654 |
0.7 | Intermediate Similarity | NPC476705 |
0.7 | Intermediate Similarity | NPC158061 |
0.7 | Intermediate Similarity | NPC30515 |
0.7 | Intermediate Similarity | NPC184463 |
0.6988 | Remote Similarity | NPC139712 |
0.6988 | Remote Similarity | NPC477088 |
0.6986 | Remote Similarity | NPC240506 |
0.6986 | Remote Similarity | NPC99487 |
0.6986 | Remote Similarity | NPC66020 |
0.6977 | Remote Similarity | NPC243618 |
0.6977 | Remote Similarity | NPC70424 |
0.6966 | Remote Similarity | NPC20946 |
0.6966 | Remote Similarity | NPC299527 |
0.6962 | Remote Similarity | NPC471662 |
0.6957 | Remote Similarity | NPC36954 |
0.6957 | Remote Similarity | NPC469583 |
0.6957 | Remote Similarity | NPC220221 |
0.6957 | Remote Similarity | NPC8774 |
0.6957 | Remote Similarity | NPC107476 |
0.6957 | Remote Similarity | NPC474496 |
0.6951 | Remote Similarity | NPC477425 |
0.6951 | Remote Similarity | NPC477427 |
0.6951 | Remote Similarity | NPC477426 |
0.6951 | Remote Similarity | NPC474826 |
0.6944 | Remote Similarity | NPC155025 |
0.6941 | Remote Similarity | NPC259858 |
0.6941 | Remote Similarity | NPC475936 |
0.6933 | Remote Similarity | NPC140233 |
0.6933 | Remote Similarity | NPC309300 |
0.6933 | Remote Similarity | NPC287744 |
0.6932 | Remote Similarity | NPC477386 |
0.6932 | Remote Similarity | NPC477388 |
0.6932 | Remote Similarity | NPC248602 |
0.6923 | Remote Similarity | NPC119379 |
0.6923 | Remote Similarity | NPC473893 |
0.6923 | Remote Similarity | NPC476300 |
0.6923 | Remote Similarity | NPC475912 |
0.6915 | Remote Similarity | NPC474213 |
0.6914 | Remote Similarity | NPC93213 |
0.6905 | Remote Similarity | NPC233332 |
0.6905 | Remote Similarity | NPC103634 |
0.6905 | Remote Similarity | NPC233377 |
0.6897 | Remote Similarity | NPC137033 |
0.6892 | Remote Similarity | NPC475251 |
0.6889 | Remote Similarity | NPC473448 |
0.6889 | Remote Similarity | NPC197107 |
0.6889 | Remote Similarity | NPC51004 |
0.6883 | Remote Similarity | NPC472266 |
0.6883 | Remote Similarity | NPC114651 |
0.6882 | Remote Similarity | NPC98457 |
0.6882 | Remote Similarity | NPC279621 |
0.6882 | Remote Similarity | NPC210717 |
0.6882 | Remote Similarity | NPC103165 |
0.6882 | Remote Similarity | NPC472995 |
0.6882 | Remote Similarity | NPC227583 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC471525 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 |
---|---|---|---|
0.7471 | Intermediate Similarity | NPD7838 | Discovery |
0.7312 | Intermediate Similarity | NPD5344 | Discontinued |
0.7273 | Intermediate Similarity | NPD6698 | Approved |
0.7273 | Intermediate Similarity | NPD46 | Approved |
0.7183 | Intermediate Similarity | NPD585 | Clinical (unspecified phase) |
0.7067 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.6932 | Remote Similarity | NPD7524 | Approved |
0.6842 | Remote Similarity | NPD6648 | Approved |
0.6829 | Remote Similarity | NPD6933 | Approved |
0.6667 | Remote Similarity | NPD368 | Approved |
0.6667 | Remote Similarity | NPD6695 | Phase 3 |
0.6591 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6585 | Remote Similarity | NPD6924 | Approved |
0.6585 | Remote Similarity | NPD6926 | Approved |
0.6528 | Remote Similarity | NPD342 | Phase 1 |
0.6522 | Remote Similarity | NPD3168 | Discontinued |
0.6512 | Remote Similarity | NPD6931 | Approved |
0.6512 | Remote Similarity | NPD6930 | Phase 2 |
0.6477 | Remote Similarity | NPD7154 | Phase 3 |
0.6452 | Remote Similarity | NPD7983 | Approved |
0.6395 | Remote Similarity | NPD6929 | Approved |
0.6392 | Remote Similarity | NPD4225 | Approved |
0.6374 | Remote Similarity | NPD7750 | Discontinued |
0.6333 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6333 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6322 | Remote Similarity | NPD4820 | Approved |
0.6322 | Remote Similarity | NPD7332 | Phase 2 |
0.6322 | Remote Similarity | NPD4819 | Approved |
0.6322 | Remote Similarity | NPD7514 | Phase 3 |
0.6322 | Remote Similarity | NPD4821 | Approved |
0.6322 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6322 | Remote Similarity | NPD4822 | Approved |
0.631 | Remote Similarity | NPD8264 | Approved |
0.6279 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6263 | Remote Similarity | NPD4159 | Approved |
0.625 | Remote Similarity | NPD6902 | Approved |
0.625 | Remote Similarity | NPD6371 | Approved |
0.6224 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6207 | Remote Similarity | NPD7645 | Phase 2 |
0.6163 | Remote Similarity | NPD6932 | Approved |
0.6163 | Remote Similarity | NPD5776 | Phase 2 |
0.6163 | Remote Similarity | NPD6925 | Approved |
0.6154 | Remote Similarity | NPD6893 | Approved |
0.6136 | Remote Similarity | NPD7509 | Discontinued |
0.6118 | Remote Similarity | NPD6942 | Approved |
0.6118 | Remote Similarity | NPD7339 | Approved |
0.6117 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD5362 | Discontinued |
0.6105 | Remote Similarity | NPD7087 | Discontinued |
0.6098 | Remote Similarity | NPD6923 | Approved |
0.6098 | Remote Similarity | NPD6922 | Approved |
0.6092 | Remote Similarity | NPD4271 | Approved |
0.6092 | Remote Similarity | NPD7145 | Approved |
0.6092 | Remote Similarity | NPD4268 | Approved |
0.6071 | Remote Similarity | NPD4732 | Discontinued |
0.6067 | Remote Similarity | NPD6898 | Phase 1 |
0.6055 | Remote Similarity | NPD7115 | Discovery |
0.6047 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6042 | Remote Similarity | NPD5778 | Approved |
0.6042 | Remote Similarity | NPD5779 | Approved |
0.6038 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD7143 | Approved |
0.6024 | Remote Similarity | NPD7144 | Approved |
0.6023 | Remote Similarity | NPD6683 | Phase 2 |
0.602 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.6019 | Remote Similarity | NPD5357 | Phase 1 |
0.6019 | Remote Similarity | NPD6640 | Phase 3 |
0.6 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD7525 | Registered |
0.5952 | Remote Similarity | NPD7152 | Approved |
0.5952 | Remote Similarity | NPD7150 | Approved |
0.5952 | Remote Similarity | NPD7151 | Approved |
0.5942 | Remote Similarity | NPD4265 | Approved |
0.5934 | Remote Similarity | NPD5332 | Approved |
0.5934 | Remote Similarity | NPD5331 | Approved |
0.5905 | Remote Similarity | NPD6686 | Approved |
0.5897 | Remote Similarity | NPD1145 | Discontinued |
0.5895 | Remote Similarity | NPD6101 | Approved |
0.5895 | Remote Similarity | NPD1695 | Approved |
0.5895 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5889 | Remote Similarity | NPD4790 | Discontinued |
0.5889 | Remote Similarity | NPD5369 | Approved |
0.5882 | Remote Similarity | NPD3653 | Clinical (unspecified phase) |
0.5851 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5851 | Remote Similarity | NPD4251 | Approved |
0.5851 | Remote Similarity | NPD4250 | Approved |
0.5833 | Remote Similarity | NPD5785 | Approved |
0.5824 | Remote Similarity | NPD6435 | Approved |
0.5824 | Remote Similarity | NPD4270 | Approved |
0.5824 | Remote Similarity | NPD4269 | Approved |
0.5773 | Remote Similarity | NPD6411 | Approved |
0.5773 | Remote Similarity | NPD7637 | Suspended |
0.5761 | Remote Similarity | NPD6110 | Phase 1 |
0.5758 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5747 | Remote Similarity | NPD8039 | Approved |
0.5745 | Remote Similarity | NPD4249 | Approved |
0.5745 | Remote Similarity | NPD5786 | Approved |
0.5743 | Remote Similarity | NPD7638 | Approved |
0.5732 | Remote Similarity | NPD7331 | Phase 2 |
0.573 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD6051 | Approved |
0.57 | Remote Similarity | NPD7839 | Suspended |
0.5699 | Remote Similarity | NPD4786 | Approved |
0.5686 | Remote Similarity | NPD7639 | Approved |
0.5686 | Remote Similarity | NPD7640 | Approved |
0.5679 | Remote Similarity | NPD3197 | Phase 1 |
0.5679 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD3667 | Approved |
0.5648 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD8273 | Phase 1 |
0.5638 | Remote Similarity | NPD5363 | Approved |
0.5632 | Remote Similarity | NPD4784 | Approved |
0.5632 | Remote Similarity | NPD4785 | Approved |
0.5625 | Remote Similarity | NPD7505 | Discontinued |
0.561 | Remote Similarity | NPD7341 | Phase 2 |
0.5604 | Remote Similarity | NPD4252 | Approved |
0.5604 | Remote Similarity | NPD5368 | Approved |
PubChem CID   | 44448198 |
ChEMBL   | CHEMBL254750 |
ZINC   |
Molecular Weight:   | 320.24 |
ALogP:   | 1.4968 |
MLogP:   | 3.33 |
XLogP:   | 3.48 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 45.29 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 23 |