Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | ED50 | > | 20 | ug/ml | 18834112 | |
NPT165 | Cell Line | HeLa | Homo sapiens | ED50 | > | 20 | ug/ml | 20058934 |
NPT579 | Cell Line | DLD-1 | Homo sapiens | ED50 | > | 20 | ug/ml | 20058934 |
NPT2 | Others | Unspecified | ED50 | > | 20 | ug/ml | 20058934 | |
NPT2356 | Cell Line | NCI-H661 | Homo sapiens | ED50 | > | 20 | ug/ml | 20058934 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 20 | ug/ml | 17503850 |
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 NPC50435 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 |
---|---|---|
0.85 | High Similarity | NPC101285 |
0.85 | High Similarity | NPC65786 |
0.85 | High Similarity | NPC7491 |
0.85 | High Similarity | NPC13789 |
0.85 | High Similarity | NPC27853 |
0.8462 | Intermediate Similarity | NPC33583 |
0.8462 | Intermediate Similarity | NPC161612 |
0.7857 | Intermediate Similarity | NPC329763 |
0.7705 | Intermediate Similarity | NPC286752 |
0.7647 | Intermediate Similarity | NPC259299 |
0.7536 | Intermediate Similarity | NPC305698 |
0.75 | Intermediate Similarity | NPC469328 |
0.746 | Intermediate Similarity | NPC24443 |
0.7429 | Intermediate Similarity | NPC74722 |
0.7429 | Intermediate Similarity | NPC304690 |
0.7361 | Intermediate Similarity | NPC476709 |
0.7273 | Intermediate Similarity | NPC40206 |
0.726 | Intermediate Similarity | NPC190859 |
0.72 | Intermediate Similarity | NPC471454 |
0.7188 | Intermediate Similarity | NPC210316 |
0.7162 | Intermediate Similarity | NPC36479 |
0.7123 | Intermediate Similarity | NPC143576 |
0.7105 | Intermediate Similarity | NPC52755 |
0.7105 | Intermediate Similarity | NPC477089 |
0.7101 | Intermediate Similarity | NPC61503 |
0.7101 | Intermediate Similarity | NPC471200 |
0.7067 | Intermediate Similarity | NPC293223 |
0.7067 | Intermediate Similarity | NPC170148 |
0.7067 | Intermediate Similarity | NPC329626 |
0.7031 | Intermediate Similarity | NPC223604 |
0.6974 | Remote Similarity | NPC476703 |
0.6949 | Remote Similarity | NPC87439 |
0.6944 | Remote Similarity | NPC239373 |
0.6944 | Remote Similarity | NPC329989 |
0.6933 | Remote Similarity | NPC474419 |
0.6933 | Remote Similarity | NPC12696 |
0.6901 | Remote Similarity | NPC269077 |
0.6901 | Remote Similarity | NPC253303 |
0.6866 | Remote Similarity | NPC310228 |
0.6866 | Remote Similarity | NPC52431 |
0.6857 | Remote Similarity | NPC250836 |
0.6857 | Remote Similarity | NPC300442 |
0.6842 | Remote Similarity | NPC268111 |
0.6812 | Remote Similarity | NPC473759 |
0.6812 | Remote Similarity | NPC473508 |
0.6812 | Remote Similarity | NPC474155 |
0.6806 | Remote Similarity | NPC245795 |
0.6806 | Remote Similarity | NPC266578 |
0.6769 | Remote Similarity | NPC67508 |
0.6769 | Remote Similarity | NPC84824 |
0.6757 | Remote Similarity | NPC306085 |
0.6753 | Remote Similarity | NPC84360 |
0.675 | Remote Similarity | NPC145963 |
0.6714 | Remote Similarity | NPC140233 |
0.6714 | Remote Similarity | NPC101128 |
0.6714 | Remote Similarity | NPC300593 |
0.6714 | Remote Similarity | NPC219940 |
0.6714 | Remote Similarity | NPC287744 |
0.6712 | Remote Similarity | NPC144647 |
0.6712 | Remote Similarity | NPC269841 |
0.6712 | Remote Similarity | NPC234511 |
0.6712 | Remote Similarity | NPC16964 |
0.6711 | Remote Similarity | NPC93213 |
0.6709 | Remote Similarity | NPC475946 |
0.6667 | Remote Similarity | NPC172622 |
0.6667 | Remote Similarity | NPC475980 |
0.6667 | Remote Similarity | NPC231601 |
0.6667 | Remote Similarity | NPC251335 |
0.6667 | Remote Similarity | NPC260852 |
0.6667 | Remote Similarity | NPC475807 |
0.6667 | Remote Similarity | NPC63111 |
0.6625 | Remote Similarity | NPC118116 |
0.6625 | Remote Similarity | NPC77003 |
0.6623 | Remote Similarity | NPC476607 |
0.6622 | Remote Similarity | NPC283316 |
0.6622 | Remote Similarity | NPC470041 |
0.6585 | Remote Similarity | NPC86238 |
0.6579 | Remote Similarity | NPC471525 |
0.6548 | Remote Similarity | NPC474765 |
0.6543 | Remote Similarity | NPC103171 |
0.6538 | Remote Similarity | NPC186109 |
0.6533 | Remote Similarity | NPC40327 |
0.6533 | Remote Similarity | NPC477084 |
0.6528 | Remote Similarity | NPC475897 |
0.6528 | Remote Similarity | NPC311736 |
0.6528 | Remote Similarity | NPC473929 |
0.6528 | Remote Similarity | NPC267027 |
0.6522 | Remote Similarity | NPC66020 |
0.6522 | Remote Similarity | NPC475412 |
0.6508 | Remote Similarity | NPC142103 |
0.65 | Remote Similarity | NPC76054 |
0.65 | Remote Similarity | NPC258965 |
0.65 | Remote Similarity | NPC156658 |
0.6494 | Remote Similarity | NPC475861 |
0.6479 | Remote Similarity | NPC144650 |
0.6479 | Remote Similarity | NPC476702 |
0.6471 | Remote Similarity | NPC475830 |
0.6471 | Remote Similarity | NPC152438 |
0.6471 | Remote Similarity | NPC240206 |
0.6471 | Remote Similarity | NPC41180 |
0.6463 | Remote Similarity | NPC5958 |
0.6463 | Remote Similarity | NPC239308 |
0.6462 | Remote Similarity | NPC165755 |
0.6462 | Remote Similarity | NPC161473 |
0.6452 | Remote Similarity | NPC100445 |
0.6447 | Remote Similarity | NPC95165 |
0.6438 | Remote Similarity | NPC82337 |
0.6438 | Remote Similarity | NPC472255 |
0.6438 | Remote Similarity | NPC139207 |
0.6438 | Remote Similarity | NPC472253 |
0.6438 | Remote Similarity | NPC185874 |
0.6438 | Remote Similarity | NPC73603 |
0.6438 | Remote Similarity | NPC163290 |
0.6429 | Remote Similarity | NPC225342 |
0.6429 | Remote Similarity | NPC470242 |
0.6429 | Remote Similarity | NPC15152 |
0.642 | Remote Similarity | NPC471661 |
0.6418 | Remote Similarity | NPC264779 |
0.6418 | Remote Similarity | NPC39068 |
0.6418 | Remote Similarity | NPC170780 |
0.641 | Remote Similarity | NPC236228 |
0.641 | Remote Similarity | NPC256720 |
0.641 | Remote Similarity | NPC271070 |
0.641 | Remote Similarity | NPC472472 |
0.6406 | Remote Similarity | NPC474331 |
0.64 | Remote Similarity | NPC129630 |
0.64 | Remote Similarity | NPC471781 |
0.6395 | Remote Similarity | NPC161560 |
0.6389 | Remote Similarity | NPC469326 |
0.6389 | Remote Similarity | NPC11555 |
0.6389 | Remote Similarity | NPC258595 |
0.6389 | Remote Similarity | NPC208198 |
0.6389 | Remote Similarity | NPC2728 |
0.6389 | Remote Similarity | NPC172613 |
0.6389 | Remote Similarity | NPC60837 |
0.6389 | Remote Similarity | NPC261782 |
0.6389 | Remote Similarity | NPC165069 |
0.6389 | Remote Similarity | NPC205618 |
0.6389 | Remote Similarity | NPC282619 |
0.6377 | Remote Similarity | NPC143810 |
0.6377 | Remote Similarity | NPC83838 |
0.6377 | Remote Similarity | NPC475931 |
0.6377 | Remote Similarity | NPC99480 |
0.6377 | Remote Similarity | NPC122239 |
0.6377 | Remote Similarity | NPC184049 |
0.6375 | Remote Similarity | NPC476701 |
0.6375 | Remote Similarity | NPC80999 |
0.6364 | Remote Similarity | NPC71152 |
0.6351 | Remote Similarity | NPC244790 |
0.6351 | Remote Similarity | NPC470040 |
0.6351 | Remote Similarity | NPC276616 |
0.6333 | Remote Similarity | NPC15162 |
0.6324 | Remote Similarity | NPC278550 |
0.6316 | Remote Similarity | NPC41886 |
0.6316 | Remote Similarity | NPC469343 |
0.631 | Remote Similarity | NPC471379 |
0.631 | Remote Similarity | NPC47958 |
0.631 | Remote Similarity | NPC304509 |
0.631 | Remote Similarity | NPC196911 |
0.631 | Remote Similarity | NPC149725 |
0.6308 | Remote Similarity | NPC35519 |
0.6308 | Remote Similarity | NPC181255 |
0.6308 | Remote Similarity | NPC306195 |
0.6308 | Remote Similarity | NPC157781 |
0.6308 | Remote Similarity | NPC179169 |
0.6301 | Remote Similarity | NPC272125 |
0.6301 | Remote Similarity | NPC476406 |
0.6296 | Remote Similarity | NPC474739 |
0.6286 | Remote Similarity | NPC99487 |
0.6286 | Remote Similarity | NPC162109 |
0.6286 | Remote Similarity | NPC127824 |
0.6286 | Remote Similarity | NPC469694 |
0.6286 | Remote Similarity | NPC240506 |
0.6282 | Remote Similarity | NPC23231 |
0.6282 | Remote Similarity | NPC60818 |
0.6282 | Remote Similarity | NPC113639 |
0.6267 | Remote Similarity | NPC474248 |
0.6267 | Remote Similarity | NPC329656 |
0.6267 | Remote Similarity | NPC9942 |
0.6265 | Remote Similarity | NPC477978 |
0.6265 | Remote Similarity | NPC471340 |
0.6265 | Remote Similarity | NPC475842 |
0.625 | Remote Similarity | NPC68656 |
0.625 | Remote Similarity | NPC264610 |
0.625 | Remote Similarity | NPC309300 |
0.625 | Remote Similarity | NPC131623 |
0.625 | Remote Similarity | NPC91251 |
0.625 | Remote Similarity | NPC3852 |
0.625 | Remote Similarity | NPC225415 |
0.625 | Remote Similarity | NPC329773 |
0.625 | Remote Similarity | NPC199937 |
0.6235 | Remote Similarity | NPC322922 |
0.6235 | Remote Similarity | NPC321812 |
0.6235 | Remote Similarity | NPC255143 |
0.6235 | Remote Similarity | NPC475684 |
0.6234 | Remote Similarity | NPC477085 |
0.6234 | Remote Similarity | NPC92909 |
0.6234 | Remote Similarity | NPC107783 |
0.6234 | Remote Similarity | NPC310608 |
0.6232 | Remote Similarity | NPC189290 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC50435 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 |
---|---|---|---|
0.6286 | Remote Similarity | NPD1145 | Discontinued |
0.6197 | Remote Similarity | NPD368 | Approved |
0.6129 | Remote Similarity | NPD388 | Approved |
0.6129 | Remote Similarity | NPD386 | Approved |
0.6094 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD6695 | Phase 3 |
0.6 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD3168 | Discontinued |
0.5949 | Remote Similarity | NPD6926 | Approved |
0.5949 | Remote Similarity | NPD6924 | Approved |
0.5946 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5904 | Remote Similarity | NPD6930 | Phase 2 |
0.5904 | Remote Similarity | NPD6931 | Approved |
0.5811 | Remote Similarity | NPD371 | Approved |
0.5802 | Remote Similarity | NPD6933 | Approved |
0.5797 | Remote Similarity | NPD342 | Phase 1 |
0.5795 | Remote Similarity | NPD7750 | Discontinued |
0.5795 | Remote Similarity | NPD7524 | Approved |
0.5783 | Remote Similarity | NPD6929 | Approved |
0.5781 | Remote Similarity | NPD385 | Approved |
0.5781 | Remote Similarity | NPD384 | Approved |
0.5778 | Remote Similarity | NPD7838 | Discovery |
0.5732 | Remote Similarity | NPD6932 | Approved |
0.5667 | Remote Similarity | NPD1695 | Approved |
0.561 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5604 | Remote Similarity | NPD46 | Approved |
0.5604 | Remote Similarity | NPD6698 | Approved |
PubChem CID   | 11276101 |
ChEMBL   | CHEMBL442685 |
ZINC   |
Molecular Weight:   | 222.16 |
ALogP:   | 0.1639 |
MLogP:   | 2.78 |
XLogP:   | 2.036 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 32.76 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 16 |