Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | = | 5500 | nM | 26317881 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 11700 | nM | 26317881 |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | IC50 | = | 6800 | nM | 17442577 |
NPT395 | Cell Line | SF-268 | Homo sapiens | IC50 | = | 6800 | nM | 11908979 |
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 NPC474825 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 |
---|---|---|
0.8065 | Intermediate Similarity | NPC475618 |
0.7419 | Intermediate Similarity | NPC133600 |
0.7361 | Intermediate Similarity | NPC99182 |
0.7333 | Intermediate Similarity | NPC478117 |
0.7258 | Intermediate Similarity | NPC189700 |
0.7213 | Intermediate Similarity | NPC221763 |
0.7167 | Intermediate Similarity | NPC129710 |
0.7121 | Intermediate Similarity | NPC220766 |
0.7077 | Intermediate Similarity | NPC132243 |
0.7049 | Intermediate Similarity | NPC25038 |
0.7031 | Intermediate Similarity | NPC130953 |
0.7015 | Intermediate Similarity | NPC191233 |
0.6957 | Remote Similarity | NPC470693 |
0.6935 | Remote Similarity | NPC150717 |
0.6866 | Remote Similarity | NPC133904 |
0.6833 | Remote Similarity | NPC191643 |
0.6818 | Remote Similarity | NPC179087 |
0.6818 | Remote Similarity | NPC210303 |
0.6818 | Remote Similarity | NPC44343 |
0.678 | Remote Similarity | NPC220191 |
0.6774 | Remote Similarity | NPC173157 |
0.6769 | Remote Similarity | NPC98519 |
0.6757 | Remote Similarity | NPC471225 |
0.6667 | Remote Similarity | NPC22329 |
0.6625 | Remote Similarity | NPC291712 |
0.6618 | Remote Similarity | NPC470688 |
0.6618 | Remote Similarity | NPC471565 |
0.6618 | Remote Similarity | NPC182794 |
0.6618 | Remote Similarity | NPC471566 |
0.6613 | Remote Similarity | NPC159535 |
0.6613 | Remote Similarity | NPC218486 |
0.6613 | Remote Similarity | NPC317796 |
0.6613 | Remote Similarity | NPC151761 |
0.6613 | Remote Similarity | NPC478120 |
0.661 | Remote Similarity | NPC234084 |
0.6567 | Remote Similarity | NPC473737 |
0.6557 | Remote Similarity | NPC46565 |
0.6557 | Remote Similarity | NPC229046 |
0.6515 | Remote Similarity | NPC309408 |
0.65 | Remote Similarity | NPC130030 |
0.65 | Remote Similarity | NPC281172 |
0.65 | Remote Similarity | NPC15789 |
0.65 | Remote Similarity | NPC27264 |
0.6479 | Remote Similarity | NPC232812 |
0.6471 | Remote Similarity | NPC477456 |
0.6471 | Remote Similarity | NPC477457 |
0.6456 | Remote Similarity | NPC288281 |
0.6452 | Remote Similarity | NPC474805 |
0.6441 | Remote Similarity | NPC90490 |
0.6438 | Remote Similarity | NPC287878 |
0.6429 | Remote Similarity | NPC225272 |
0.6429 | Remote Similarity | NPC21998 |
0.6418 | Remote Similarity | NPC151648 |
0.6406 | Remote Similarity | NPC86948 |
0.6406 | Remote Similarity | NPC245002 |
0.6393 | Remote Similarity | NPC148056 |
0.6389 | Remote Similarity | NPC59558 |
0.6389 | Remote Similarity | NPC37929 |
0.6389 | Remote Similarity | NPC64234 |
0.6377 | Remote Similarity | NPC131174 |
0.6377 | Remote Similarity | NPC471556 |
0.6377 | Remote Similarity | NPC476589 |
0.6364 | Remote Similarity | NPC286189 |
0.6351 | Remote Similarity | NPC470686 |
0.6349 | Remote Similarity | NPC151923 |
0.6349 | Remote Similarity | NPC9611 |
0.6338 | Remote Similarity | NPC474823 |
0.6333 | Remote Similarity | NPC15912 |
0.6333 | Remote Similarity | NPC82446 |
0.6324 | Remote Similarity | NPC474774 |
0.6308 | Remote Similarity | NPC224103 |
0.6308 | Remote Similarity | NPC200831 |
0.6308 | Remote Similarity | NPC299369 |
0.629 | Remote Similarity | NPC151919 |
0.6286 | Remote Similarity | NPC475675 |
0.6286 | Remote Similarity | NPC475555 |
0.6286 | Remote Similarity | NPC315115 |
0.625 | Remote Similarity | NPC475004 |
0.625 | Remote Similarity | NPC297280 |
0.6235 | Remote Similarity | NPC32944 |
0.6235 | Remote Similarity | NPC193396 |
0.623 | Remote Similarity | NPC107703 |
0.623 | Remote Similarity | NPC236338 |
0.6216 | Remote Similarity | NPC316851 |
0.6212 | Remote Similarity | NPC474084 |
0.6212 | Remote Similarity | NPC281195 |
0.6207 | Remote Similarity | NPC106547 |
0.6197 | Remote Similarity | NPC122627 |
0.619 | Remote Similarity | NPC95364 |
0.619 | Remote Similarity | NPC142159 |
0.6164 | Remote Similarity | NPC315597 |
0.6164 | Remote Similarity | NPC315285 |
0.6143 | Remote Similarity | NPC7940 |
0.6119 | Remote Similarity | NPC203233 |
0.6111 | Remote Similarity | NPC477117 |
0.6111 | Remote Similarity | NPC313444 |
0.6111 | Remote Similarity | NPC287705 |
0.6104 | Remote Similarity | NPC473825 |
0.6104 | Remote Similarity | NPC180290 |
0.6104 | Remote Similarity | NPC68156 |
0.6102 | Remote Similarity | NPC110396 |
0.6102 | Remote Similarity | NPC270706 |
0.6098 | Remote Similarity | NPC67081 |
0.6098 | Remote Similarity | NPC471223 |
0.6092 | Remote Similarity | NPC143210 |
0.6087 | Remote Similarity | NPC474729 |
0.6087 | Remote Similarity | NPC2328 |
0.6087 | Remote Similarity | NPC474723 |
0.6087 | Remote Similarity | NPC474658 |
0.6087 | Remote Similarity | NPC475073 |
0.6056 | Remote Similarity | NPC469446 |
0.6053 | Remote Similarity | NPC478194 |
0.6053 | Remote Similarity | NPC478191 |
0.6053 | Remote Similarity | NPC478193 |
0.6053 | Remote Similarity | NPC478195 |
0.6053 | Remote Similarity | NPC315552 |
0.6053 | Remote Similarity | NPC478196 |
0.6053 | Remote Similarity | NPC478192 |
0.6047 | Remote Similarity | NPC166110 |
0.6034 | Remote Similarity | NPC216921 |
0.6027 | Remote Similarity | NPC265574 |
0.6026 | Remote Similarity | NPC469510 |
0.6023 | Remote Similarity | NPC12727 |
0.6 | Remote Similarity | NPC128280 |
0.5977 | Remote Similarity | NPC248193 |
0.5972 | Remote Similarity | NPC203335 |
0.5968 | Remote Similarity | NPC275316 |
0.5968 | Remote Similarity | NPC221467 |
0.5949 | Remote Similarity | NPC271632 |
0.5946 | Remote Similarity | NPC316029 |
0.5942 | Remote Similarity | NPC68044 |
0.5942 | Remote Similarity | NPC15193 |
0.5938 | Remote Similarity | NPC477781 |
0.5938 | Remote Similarity | NPC168521 |
0.5938 | Remote Similarity | NPC45283 |
0.5938 | Remote Similarity | NPC477780 |
0.5932 | Remote Similarity | NPC75134 |
0.593 | Remote Similarity | NPC224270 |
0.5909 | Remote Similarity | NPC230296 |
0.5902 | Remote Similarity | NPC128520 |
0.5897 | Remote Similarity | NPC54996 |
0.5893 | Remote Similarity | NPC200147 |
0.589 | Remote Similarity | NPC470256 |
0.589 | Remote Similarity | NPC276290 |
0.5882 | Remote Similarity | NPC473494 |
0.5867 | Remote Similarity | NPC5734 |
0.5862 | Remote Similarity | NPC32552 |
0.5862 | Remote Similarity | NPC57923 |
0.5857 | Remote Similarity | NPC151728 |
0.5857 | Remote Similarity | NPC57463 |
0.5854 | Remote Similarity | NPC475083 |
0.5846 | Remote Similarity | NPC474127 |
0.5833 | Remote Similarity | NPC37382 |
0.5833 | Remote Similarity | NPC248125 |
0.5833 | Remote Similarity | NPC470033 |
0.5833 | Remote Similarity | NPC26600 |
0.5833 | Remote Similarity | NPC47946 |
0.5833 | Remote Similarity | NPC16119 |
0.5821 | Remote Similarity | NPC223804 |
0.5821 | Remote Similarity | NPC71755 |
0.5811 | Remote Similarity | NPC476591 |
0.5811 | Remote Similarity | NPC88877 |
0.5806 | Remote Similarity | NPC91765 |
0.5806 | Remote Similarity | NPC313553 |
0.5806 | Remote Similarity | NPC126184 |
0.5806 | Remote Similarity | NPC135698 |
0.5797 | Remote Similarity | NPC429928 |
0.5797 | Remote Similarity | NPC79756 |
0.5789 | Remote Similarity | NPC215745 |
0.5789 | Remote Similarity | NPC238948 |
0.5789 | Remote Similarity | NPC12815 |
0.5789 | Remote Similarity | NPC111474 |
0.5781 | Remote Similarity | NPC106531 |
0.5778 | Remote Similarity | NPC172998 |
0.5778 | Remote Similarity | NPC299396 |
0.5778 | Remote Similarity | NPC301596 |
0.5775 | Remote Similarity | NPC114464 |
0.5775 | Remote Similarity | NPC53136 |
0.5775 | Remote Similarity | NPC173409 |
0.5775 | Remote Similarity | NPC474400 |
0.5775 | Remote Similarity | NPC34622 |
0.5769 | Remote Similarity | NPC4509 |
0.5769 | Remote Similarity | NPC263266 |
0.5758 | Remote Similarity | NPC474913 |
0.5753 | Remote Similarity | NPC132286 |
0.5753 | Remote Similarity | NPC474619 |
0.5738 | Remote Similarity | NPC262558 |
0.5738 | Remote Similarity | NPC8610 |
0.5738 | Remote Similarity | NPC197467 |
0.5738 | Remote Similarity | NPC100380 |
0.5735 | Remote Similarity | NPC139056 |
0.5735 | Remote Similarity | NPC254095 |
0.5732 | Remote Similarity | NPC471326 |
0.5732 | Remote Similarity | NPC16321 |
0.5732 | Remote Similarity | NPC221231 |
0.5732 | Remote Similarity | NPC94200 |
0.5732 | Remote Similarity | NPC268122 |
0.5714 | Remote Similarity | NPC118788 |
0.5714 | Remote Similarity | NPC217537 |
0.5714 | Remote Similarity | NPC122244 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC474825 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 |
---|---|---|---|
0.6308 | Remote Similarity | NPD8779 | Phase 3 |
0.6094 | Remote Similarity | NPD539 | Approved |
0.5862 | Remote Similarity | NPD9297 | Discontinued |
0.5862 | Remote Similarity | NPD9091 | Suspended |
0.5833 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD4220 | Pre-registration |
0.5696 | Remote Similarity | NPD4756 | Discovery |
0.5625 | Remote Similarity | NPD6927 | Phase 3 |
PubChem CID   | 44575740 |
ChEMBL   | CHEMBL484226 |
ZINC   |
Molecular Weight:   | 218.13 |
ALogP:   | 1.2572 |
MLogP:   | 2.78 |
XLogP:   | 3.648 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 16 |