Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT133 | Cell Line | ZR-75-1 | Homo sapiens | ED50 | = | 4.7 | ug/ml | 22329646 |
NPT453 | Cell Line | HT-1080 | Homo sapiens | ED50 | = | 5.7 | ug/ml | 18616221 |
NPT762 | Cell Line | A-431 | Homo sapiens | ED50 | = | 1.9 | ug/ml | 17371827 |
NPT2 | Others | Unspecified | ED50 | = | 3.3 | ug/ml | 21401115 | |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 2.9 | ug/ml | 17993275 |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 0.4 | ug/ml | 22037378 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 4.1 | ug/ml | 22621841 |
NPT2 | Others | Unspecified | ED50 | = | 4.8 | ug/ml | 26000707 | |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | = | 1.8 | ug/ml | 26316467 |
NPT2 | Others | Unspecified | ED50 | = | 3.4 | ug/ml | 22939606 | |
NPT2 | Others | Unspecified | ED50 | = | 3 | ug/ml | Open TG-GATES in vivo data: Hematology |
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 NPC308457 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 |
---|---|---|
0.9672 | High Similarity | NPC124586 |
0.9492 | High Similarity | NPC26223 |
0.9344 | High Similarity | NPC148233 |
0.9344 | High Similarity | NPC25747 |
0.8769 | High Similarity | NPC475760 |
0.8594 | High Similarity | NPC96414 |
0.8462 | Intermediate Similarity | NPC201356 |
0.8387 | Intermediate Similarity | NPC22897 |
0.8387 | Intermediate Similarity | NPC159650 |
0.8382 | Intermediate Similarity | NPC475762 |
0.8154 | Intermediate Similarity | NPC470808 |
0.803 | Intermediate Similarity | NPC19769 |
0.791 | Intermediate Similarity | NPC276299 |
0.791 | Intermediate Similarity | NPC146811 |
0.7846 | Intermediate Similarity | NPC26810 |
0.7826 | Intermediate Similarity | NPC151481 |
0.7812 | Intermediate Similarity | NPC478095 |
0.7808 | Intermediate Similarity | NPC474026 |
0.7797 | Intermediate Similarity | NPC275316 |
0.7746 | Intermediate Similarity | NPC185186 |
0.7746 | Intermediate Similarity | NPC327383 |
0.7703 | Intermediate Similarity | NPC248775 |
0.7656 | Intermediate Similarity | NPC478096 |
0.7639 | Intermediate Similarity | NPC107654 |
0.76 | Intermediate Similarity | NPC470148 |
0.76 | Intermediate Similarity | NPC473947 |
0.76 | Intermediate Similarity | NPC180725 |
0.76 | Intermediate Similarity | NPC271632 |
0.76 | Intermediate Similarity | NPC470149 |
0.7571 | Intermediate Similarity | NPC475982 |
0.7538 | Intermediate Similarity | NPC302564 |
0.7536 | Intermediate Similarity | NPC203335 |
0.7534 | Intermediate Similarity | NPC285840 |
0.7534 | Intermediate Similarity | NPC327041 |
0.75 | Intermediate Similarity | NPC470147 |
0.75 | Intermediate Similarity | NPC133226 |
0.75 | Intermediate Similarity | NPC273600 |
0.7467 | Intermediate Similarity | NPC318481 |
0.7465 | Intermediate Similarity | NPC476012 |
0.7465 | Intermediate Similarity | NPC476037 |
0.7463 | Intermediate Similarity | NPC474774 |
0.7463 | Intermediate Similarity | NPC217940 |
0.7432 | Intermediate Similarity | NPC188860 |
0.7429 | Intermediate Similarity | NPC63873 |
0.7424 | Intermediate Similarity | NPC79756 |
0.7397 | Intermediate Similarity | NPC315843 |
0.7391 | Intermediate Similarity | NPC475675 |
0.7391 | Intermediate Similarity | NPC475555 |
0.7391 | Intermediate Similarity | NPC248125 |
0.7361 | Intermediate Similarity | NPC316185 |
0.7361 | Intermediate Similarity | NPC293114 |
0.7344 | Intermediate Similarity | NPC86948 |
0.7344 | Intermediate Similarity | NPC245002 |
0.7333 | Intermediate Similarity | NPC475711 |
0.7333 | Intermediate Similarity | NPC233071 |
0.7313 | Intermediate Similarity | NPC151648 |
0.7313 | Intermediate Similarity | NPC15193 |
0.7286 | Intermediate Similarity | NPC122627 |
0.7286 | Intermediate Similarity | NPC478100 |
0.7273 | Intermediate Similarity | NPC97570 |
0.7273 | Intermediate Similarity | NPC474267 |
0.726 | Intermediate Similarity | NPC329914 |
0.726 | Intermediate Similarity | NPC329890 |
0.726 | Intermediate Similarity | NPC284006 |
0.7246 | Intermediate Similarity | NPC282760 |
0.7246 | Intermediate Similarity | NPC182794 |
0.7222 | Intermediate Similarity | NPC202011 |
0.7215 | Intermediate Similarity | NPC44261 |
0.7215 | Intermediate Similarity | NPC315559 |
0.7206 | Intermediate Similarity | NPC179087 |
0.7206 | Intermediate Similarity | NPC210303 |
0.7206 | Intermediate Similarity | NPC44343 |
0.7188 | Intermediate Similarity | NPC474913 |
0.7183 | Intermediate Similarity | NPC238223 |
0.7179 | Intermediate Similarity | NPC297440 |
0.7162 | Intermediate Similarity | NPC473489 |
0.7143 | Intermediate Similarity | NPC284447 |
0.7143 | Intermediate Similarity | NPC1180 |
0.7143 | Intermediate Similarity | NPC139712 |
0.7143 | Intermediate Similarity | NPC478101 |
0.7101 | Intermediate Similarity | NPC477456 |
0.7101 | Intermediate Similarity | NPC477457 |
0.7089 | Intermediate Similarity | NPC313677 |
0.7089 | Intermediate Similarity | NPC251026 |
0.7083 | Intermediate Similarity | NPC476591 |
0.7083 | Intermediate Similarity | NPC88877 |
0.7077 | Intermediate Similarity | NPC327388 |
0.7067 | Intermediate Similarity | NPC473582 |
0.7042 | Intermediate Similarity | NPC478097 |
0.7042 | Intermediate Similarity | NPC132286 |
0.7042 | Intermediate Similarity | NPC194871 |
0.7031 | Intermediate Similarity | NPC151761 |
0.7031 | Intermediate Similarity | NPC159535 |
0.7027 | Intermediate Similarity | NPC222244 |
0.7027 | Intermediate Similarity | NPC16349 |
0.7024 | Intermediate Similarity | NPC3952 |
0.7015 | Intermediate Similarity | NPC286189 |
0.7 | Intermediate Similarity | NPC142111 |
0.7 | Intermediate Similarity | NPC478099 |
0.7 | Intermediate Similarity | NPC478098 |
0.7 | Intermediate Similarity | NPC473315 |
0.7 | Intermediate Similarity | NPC470123 |
0.7 | Intermediate Similarity | NPC476589 |
0.6986 | Remote Similarity | NPC469660 |
0.6974 | Remote Similarity | NPC301525 |
0.697 | Remote Similarity | NPC323597 |
0.697 | Remote Similarity | NPC471277 |
0.697 | Remote Similarity | NPC129150 |
0.697 | Remote Similarity | NPC471279 |
0.697 | Remote Similarity | NPC323498 |
0.697 | Remote Similarity | NPC211752 |
0.697 | Remote Similarity | NPC294938 |
0.6962 | Remote Similarity | NPC469469 |
0.6944 | Remote Similarity | NPC218477 |
0.6944 | Remote Similarity | NPC470256 |
0.6944 | Remote Similarity | NPC276290 |
0.6935 | Remote Similarity | NPC15789 |
0.6935 | Remote Similarity | NPC236338 |
0.6933 | Remote Similarity | NPC326504 |
0.6923 | Remote Similarity | NPC471537 |
0.6923 | Remote Similarity | NPC473981 |
0.6923 | Remote Similarity | NPC473980 |
0.6914 | Remote Similarity | NPC473308 |
0.6914 | Remote Similarity | NPC160517 |
0.6914 | Remote Similarity | NPC78673 |
0.6914 | Remote Similarity | NPC186155 |
0.6912 | Remote Similarity | NPC321919 |
0.6912 | Remote Similarity | NPC81896 |
0.6901 | Remote Similarity | NPC37382 |
0.6875 | Remote Similarity | NPC475690 |
0.6866 | Remote Similarity | NPC254095 |
0.6866 | Remote Similarity | NPC474084 |
0.6866 | Remote Similarity | NPC223679 |
0.6857 | Remote Similarity | NPC475221 |
0.6842 | Remote Similarity | NPC260396 |
0.6842 | Remote Similarity | NPC473948 |
0.6829 | Remote Similarity | NPC470124 |
0.6818 | Remote Similarity | NPC472808 |
0.6818 | Remote Similarity | NPC324224 |
0.6812 | Remote Similarity | NPC55376 |
0.6806 | Remote Similarity | NPC25298 |
0.6806 | Remote Similarity | NPC225272 |
0.68 | Remote Similarity | NPC474705 |
0.6795 | Remote Similarity | NPC475699 |
0.6795 | Remote Similarity | NPC477314 |
0.6795 | Remote Similarity | NPC279532 |
0.6795 | Remote Similarity | NPC473471 |
0.6769 | Remote Similarity | NPC478120 |
0.6765 | Remote Similarity | NPC222852 |
0.6765 | Remote Similarity | NPC82465 |
0.6761 | Remote Similarity | NPC471566 |
0.6761 | Remote Similarity | NPC471556 |
0.6761 | Remote Similarity | NPC471565 |
0.6757 | Remote Similarity | NPC473361 |
0.6757 | Remote Similarity | NPC329904 |
0.6757 | Remote Similarity | NPC59558 |
0.6753 | Remote Similarity | NPC326661 |
0.6753 | Remote Similarity | NPC127118 |
0.6753 | Remote Similarity | NPC203277 |
0.6753 | Remote Similarity | NPC301207 |
0.6753 | Remote Similarity | NPC209113 |
0.6747 | Remote Similarity | NPC61527 |
0.6747 | Remote Similarity | NPC208473 |
0.6747 | Remote Similarity | NPC477428 |
0.6721 | Remote Similarity | NPC128280 |
0.6721 | Remote Similarity | NPC197467 |
0.6719 | Remote Similarity | NPC106531 |
0.6716 | Remote Similarity | NPC135863 |
0.6716 | Remote Similarity | NPC265551 |
0.6716 | Remote Similarity | NPC249850 |
0.6716 | Remote Similarity | NPC293437 |
0.6716 | Remote Similarity | NPC212730 |
0.6714 | Remote Similarity | NPC68110 |
0.6714 | Remote Similarity | NPC473737 |
0.6714 | Remote Similarity | NPC54925 |
0.6712 | Remote Similarity | NPC310210 |
0.6712 | Remote Similarity | NPC474823 |
0.6712 | Remote Similarity | NPC477117 |
0.6711 | Remote Similarity | NPC474758 |
0.6711 | Remote Similarity | NPC474545 |
0.6711 | Remote Similarity | NPC476355 |
0.6711 | Remote Similarity | NPC474280 |
0.6709 | Remote Similarity | NPC99651 |
0.6707 | Remote Similarity | NPC474251 |
0.6707 | Remote Similarity | NPC475035 |
0.6707 | Remote Similarity | NPC266718 |
0.6706 | Remote Similarity | NPC133450 |
0.6706 | Remote Similarity | NPC83423 |
0.6667 | Remote Similarity | NPC474278 |
0.6667 | Remote Similarity | NPC51809 |
0.6667 | Remote Similarity | NPC309408 |
0.6667 | Remote Similarity | NPC11383 |
0.6667 | Remote Similarity | NPC474818 |
0.6667 | Remote Similarity | NPC477084 |
0.6667 | Remote Similarity | NPC125365 |
0.6667 | Remote Similarity | NPC19241 |
0.6667 | Remote Similarity | NPC299730 |
0.6667 | Remote Similarity | NPC133098 |
0.6667 | Remote Similarity | NPC176329 |
0.6667 | Remote Similarity | NPC471225 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC308457 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 |
---|---|---|---|
0.7246 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.6866 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.6628 | Remote Similarity | NPD7838 | Discovery |
0.6562 | Remote Similarity | NPD6927 | Phase 3 |
0.6437 | Remote Similarity | NPD6698 | Approved |
0.6437 | Remote Similarity | NPD46 | Approved |
0.6377 | Remote Similarity | NPD6109 | Phase 1 |
0.6349 | Remote Similarity | NPD5343 | Approved |
0.631 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6265 | Remote Similarity | NPD5209 | Approved |
0.6237 | Remote Similarity | NPD6648 | Approved |
0.617 | Remote Similarity | NPD5344 | Discontinued |
0.6143 | Remote Similarity | NPD9119 | Approved |
0.6143 | Remote Similarity | NPD69 | Approved |
0.6129 | Remote Similarity | NPD6096 | Approved |
0.6129 | Remote Similarity | NPD6097 | Approved |
0.6047 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD9118 | Approved |
0.5972 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD4225 | Approved |
0.5781 | Remote Similarity | NPD3174 | Discontinued |
0.5763 | Remote Similarity | NPD9115 | Approved |
0.5758 | Remote Similarity | NPD4220 | Pre-registration |
0.5698 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD4756 | Discovery |
0.5647 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD8039 | Approved |
PubChem CID   | 14757880 |
ChEMBL   | CHEMBL455892 |
ZINC   |
Molecular Weight:   | 324.12 |
ALogP:   | 0.4762 |
MLogP:   | 2.45 |
XLogP:   | 1.468 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 91.43 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 23 |