Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 13.34 | ug/ml | 24709561 |
NPT83 | Cell Line | MCF7 | Homo sapiens | ED50 | = | 41.05 | ug/ml | 24597894 |
NPT176 | Organism | Artemia salina | Artemia salina | LC50 | = | 84.8 | ug/ml | 10.1007/s00044-012-0121-z |
NPT139 | Cell Line | HT-29 | Homo sapiens | ED50 | = | 12.01 | ug/ml | 20619511 |
NPT1381 | Organism | Aedes aegypti | Aedes aegypti | LC50 | > | 250 | ug/ml | 11754602 |
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 NPC47663 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 |
---|---|---|
0.9153 | High Similarity | NPC94897 |
0.8475 | Intermediate Similarity | NPC185116 |
0.8448 | Intermediate Similarity | NPC135438 |
0.8448 | Intermediate Similarity | NPC236588 |
0.8438 | Intermediate Similarity | NPC470833 |
0.8387 | Intermediate Similarity | NPC260116 |
0.8281 | Intermediate Similarity | NPC244790 |
0.8281 | Intermediate Similarity | NPC475893 |
0.8154 | Intermediate Similarity | NPC107919 |
0.8125 | Intermediate Similarity | NPC204233 |
0.8103 | Intermediate Similarity | NPC471269 |
0.803 | Intermediate Similarity | NPC231945 |
0.7963 | Intermediate Similarity | NPC198540 |
0.7963 | Intermediate Similarity | NPC147343 |
0.7963 | Intermediate Similarity | NPC84030 |
0.7963 | Intermediate Similarity | NPC287550 |
0.7963 | Intermediate Similarity | NPC223468 |
0.7963 | Intermediate Similarity | NPC176309 |
0.7941 | Intermediate Similarity | NPC192501 |
0.7941 | Intermediate Similarity | NPC10476 |
0.7941 | Intermediate Similarity | NPC470151 |
0.7941 | Intermediate Similarity | NPC228994 |
0.7931 | Intermediate Similarity | NPC53209 |
0.7903 | Intermediate Similarity | NPC95804 |
0.7903 | Intermediate Similarity | NPC185547 |
0.7879 | Intermediate Similarity | NPC299948 |
0.7879 | Intermediate Similarity | NPC470830 |
0.7879 | Intermediate Similarity | NPC241085 |
0.7826 | Intermediate Similarity | NPC158208 |
0.7826 | Intermediate Similarity | NPC243027 |
0.7826 | Intermediate Similarity | NPC196136 |
0.7812 | Intermediate Similarity | NPC472946 |
0.7812 | Intermediate Similarity | NPC80463 |
0.7794 | Intermediate Similarity | NPC95165 |
0.7759 | Intermediate Similarity | NPC36002 |
0.7759 | Intermediate Similarity | NPC102336 |
0.7727 | Intermediate Similarity | NPC474756 |
0.7714 | Intermediate Similarity | NPC163597 |
0.7679 | Intermediate Similarity | NPC316035 |
0.7656 | Intermediate Similarity | NPC101128 |
0.7647 | Intermediate Similarity | NPC131506 |
0.7647 | Intermediate Similarity | NPC242992 |
0.7647 | Intermediate Similarity | NPC157777 |
0.7606 | Intermediate Similarity | NPC105208 |
0.7606 | Intermediate Similarity | NPC477227 |
0.7606 | Intermediate Similarity | NPC128951 |
0.7606 | Intermediate Similarity | NPC192046 |
0.7606 | Intermediate Similarity | NPC302578 |
0.7576 | Intermediate Similarity | NPC63190 |
0.7576 | Intermediate Similarity | NPC269077 |
0.7576 | Intermediate Similarity | NPC139207 |
0.7576 | Intermediate Similarity | NPC48079 |
0.7576 | Intermediate Similarity | NPC475884 |
0.7576 | Intermediate Similarity | NPC253303 |
0.7576 | Intermediate Similarity | NPC185874 |
0.7576 | Intermediate Similarity | NPC473230 |
0.7571 | Intermediate Similarity | NPC472950 |
0.7571 | Intermediate Similarity | NPC472952 |
0.7571 | Intermediate Similarity | NPC317242 |
0.7536 | Intermediate Similarity | NPC473238 |
0.7536 | Intermediate Similarity | NPC472341 |
0.7536 | Intermediate Similarity | NPC153719 |
0.75 | Intermediate Similarity | NPC314087 |
0.75 | Intermediate Similarity | NPC147993 |
0.75 | Intermediate Similarity | NPC236099 |
0.75 | Intermediate Similarity | NPC209686 |
0.75 | Intermediate Similarity | NPC18857 |
0.75 | Intermediate Similarity | NPC249078 |
0.75 | Intermediate Similarity | NPC292419 |
0.75 | Intermediate Similarity | NPC114891 |
0.75 | Intermediate Similarity | NPC290791 |
0.75 | Intermediate Similarity | NPC67657 |
0.75 | Intermediate Similarity | NPC52755 |
0.7465 | Intermediate Similarity | NPC470145 |
0.7463 | Intermediate Similarity | NPC472741 |
0.7463 | Intermediate Similarity | NPC469987 |
0.7463 | Intermediate Similarity | NPC276616 |
0.7463 | Intermediate Similarity | NPC266578 |
0.7424 | Intermediate Similarity | NPC142712 |
0.7424 | Intermediate Similarity | NPC44122 |
0.7419 | Intermediate Similarity | NPC475515 |
0.7419 | Intermediate Similarity | NPC87296 |
0.7419 | Intermediate Similarity | NPC215671 |
0.7414 | Intermediate Similarity | NPC307022 |
0.7407 | Intermediate Similarity | NPC144891 |
0.7397 | Intermediate Similarity | NPC269333 |
0.7391 | Intermediate Similarity | NPC127283 |
0.7391 | Intermediate Similarity | NPC8004 |
0.7385 | Intermediate Similarity | NPC167995 |
0.7385 | Intermediate Similarity | NPC159654 |
0.7385 | Intermediate Similarity | NPC144650 |
0.7385 | Intermediate Similarity | NPC281540 |
0.7385 | Intermediate Similarity | NPC118937 |
0.7361 | Intermediate Similarity | NPC11907 |
0.7361 | Intermediate Similarity | NPC133596 |
0.7361 | Intermediate Similarity | NPC185915 |
0.7353 | Intermediate Similarity | NPC254037 |
0.7353 | Intermediate Similarity | NPC210323 |
0.7353 | Intermediate Similarity | NPC129829 |
0.7353 | Intermediate Similarity | NPC66407 |
0.7353 | Intermediate Similarity | NPC234511 |
0.7344 | Intermediate Similarity | NPC71460 |
0.7344 | Intermediate Similarity | NPC218585 |
0.7344 | Intermediate Similarity | NPC148174 |
0.7324 | Intermediate Similarity | NPC91387 |
0.7324 | Intermediate Similarity | NPC231680 |
0.7324 | Intermediate Similarity | NPC270306 |
0.7321 | Intermediate Similarity | NPC14552 |
0.7313 | Intermediate Similarity | NPC476928 |
0.7297 | Intermediate Similarity | NPC16449 |
0.7297 | Intermediate Similarity | NPC186588 |
0.7288 | Intermediate Similarity | NPC476136 |
0.7288 | Intermediate Similarity | NPC476149 |
0.7288 | Intermediate Similarity | NPC244869 |
0.7288 | Intermediate Similarity | NPC300235 |
0.7286 | Intermediate Similarity | NPC470610 |
0.7286 | Intermediate Similarity | NPC81759 |
0.7286 | Intermediate Similarity | NPC253805 |
0.7273 | Intermediate Similarity | NPC190827 |
0.7273 | Intermediate Similarity | NPC282619 |
0.7273 | Intermediate Similarity | NPC208198 |
0.7273 | Intermediate Similarity | NPC2728 |
0.7273 | Intermediate Similarity | NPC172613 |
0.7273 | Intermediate Similarity | NPC11555 |
0.7273 | Intermediate Similarity | NPC243469 |
0.7273 | Intermediate Similarity | NPC473276 |
0.7273 | Intermediate Similarity | NPC60837 |
0.7273 | Intermediate Similarity | NPC475943 |
0.7273 | Intermediate Similarity | NPC258595 |
0.7273 | Intermediate Similarity | NPC474380 |
0.7273 | Intermediate Similarity | NPC41577 |
0.7246 | Intermediate Similarity | NPC283316 |
0.7246 | Intermediate Similarity | NPC282454 |
0.7246 | Intermediate Similarity | NPC192192 |
0.7222 | Intermediate Similarity | NPC477602 |
0.7222 | Intermediate Similarity | NPC91573 |
0.7222 | Intermediate Similarity | NPC477601 |
0.7222 | Intermediate Similarity | NPC473916 |
0.7206 | Intermediate Similarity | NPC245795 |
0.7206 | Intermediate Similarity | NPC2648 |
0.72 | Intermediate Similarity | NPC470156 |
0.7183 | Intermediate Similarity | NPC166250 |
0.7183 | Intermediate Similarity | NPC304499 |
0.7183 | Intermediate Similarity | NPC48795 |
0.7183 | Intermediate Similarity | NPC475458 |
0.7164 | Intermediate Similarity | NPC473929 |
0.7162 | Intermediate Similarity | NPC287452 |
0.7162 | Intermediate Similarity | NPC81074 |
0.7162 | Intermediate Similarity | NPC477282 |
0.7143 | Intermediate Similarity | NPC195530 |
0.7143 | Intermediate Similarity | NPC252182 |
0.7143 | Intermediate Similarity | NPC109457 |
0.7143 | Intermediate Similarity | NPC157422 |
0.7143 | Intermediate Similarity | NPC473279 |
0.7143 | Intermediate Similarity | NPC167706 |
0.7143 | Intermediate Similarity | NPC187471 |
0.7143 | Intermediate Similarity | NPC1340 |
0.7143 | Intermediate Similarity | NPC108441 |
0.7143 | Intermediate Similarity | NPC470071 |
0.7143 | Intermediate Similarity | NPC127094 |
0.7143 | Intermediate Similarity | NPC77550 |
0.7143 | Intermediate Similarity | NPC100586 |
0.7123 | Intermediate Similarity | NPC64081 |
0.7123 | Intermediate Similarity | NPC474574 |
0.7121 | Intermediate Similarity | NPC68656 |
0.7121 | Intermediate Similarity | NPC69149 |
0.7105 | Intermediate Similarity | NPC470155 |
0.7105 | Intermediate Similarity | NPC60018 |
0.7105 | Intermediate Similarity | NPC477446 |
0.7105 | Intermediate Similarity | NPC477447 |
0.7105 | Intermediate Similarity | NPC202688 |
0.7105 | Intermediate Similarity | NPC154043 |
0.7101 | Intermediate Similarity | NPC99264 |
0.7101 | Intermediate Similarity | NPC477820 |
0.7097 | Intermediate Similarity | NPC3025 |
0.7067 | Intermediate Similarity | NPC472943 |
0.7067 | Intermediate Similarity | NPC472951 |
0.7059 | Intermediate Similarity | NPC472984 |
0.7042 | Intermediate Similarity | NPC265485 |
0.7042 | Intermediate Similarity | NPC220939 |
0.7031 | Intermediate Similarity | NPC95958 |
0.7027 | Intermediate Similarity | NPC177343 |
0.7027 | Intermediate Similarity | NPC102708 |
0.7013 | Intermediate Similarity | NPC477978 |
0.7013 | Intermediate Similarity | NPC216420 |
0.7013 | Intermediate Similarity | NPC241959 |
0.7013 | Intermediate Similarity | NPC478054 |
0.7013 | Intermediate Similarity | NPC85095 |
0.7013 | Intermediate Similarity | NPC211135 |
0.7 | Intermediate Similarity | NPC251201 |
0.7 | Intermediate Similarity | NPC63588 |
0.7 | Intermediate Similarity | NPC232925 |
0.6986 | Remote Similarity | NPC63958 |
0.6986 | Remote Similarity | NPC470766 |
0.6986 | Remote Similarity | NPC136424 |
0.6974 | Remote Similarity | NPC470154 |
0.6964 | Remote Similarity | NPC313795 |
0.6964 | Remote Similarity | NPC240994 |
0.6957 | Remote Similarity | NPC478228 |
0.6944 | Remote Similarity | NPC475793 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC47663 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 |
---|---|---|---|
0.8226 | Intermediate Similarity | NPD371 | Approved |
0.8154 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7963 | Intermediate Similarity | NPD384 | Approved |
0.7963 | Intermediate Similarity | NPD385 | Approved |
0.7143 | Intermediate Similarity | NPD388 | Approved |
0.7143 | Intermediate Similarity | NPD386 | Approved |
0.7 | Intermediate Similarity | NPD4787 | Phase 1 |
0.6857 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6857 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6622 | Remote Similarity | NPD3703 | Phase 2 |
0.6533 | Remote Similarity | NPD6117 | Approved |
0.6522 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6494 | Remote Similarity | NPD7645 | Phase 2 |
0.6486 | Remote Similarity | NPD1811 | Approved |
0.6486 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6486 | Remote Similarity | NPD1810 | Approved |
0.6447 | Remote Similarity | NPD6116 | Phase 1 |
0.641 | Remote Similarity | NPD7525 | Registered |
0.6389 | Remote Similarity | NPD3698 | Phase 2 |
0.6364 | Remote Similarity | NPD6114 | Approved |
0.6364 | Remote Similarity | NPD6118 | Approved |
0.6364 | Remote Similarity | NPD6697 | Approved |
0.6364 | Remote Similarity | NPD6115 | Approved |
0.6301 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6301 | Remote Similarity | NPD4244 | Approved |
0.6301 | Remote Similarity | NPD4245 | Approved |
0.625 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD5360 | Phase 3 |
0.6207 | Remote Similarity | NPD367 | Approved |
0.6154 | Remote Similarity | NPD3671 | Phase 1 |
0.6104 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6104 | Remote Similarity | NPD6933 | Approved |
0.6081 | Remote Similarity | NPD4789 | Approved |
0.6027 | Remote Similarity | NPD6705 | Phase 1 |
0.6 | Remote Similarity | NPD6928 | Phase 2 |
0.6 | Remote Similarity | NPD4748 | Discontinued |
0.6 | Remote Similarity | NPD4758 | Discontinued |
0.5974 | Remote Similarity | NPD7339 | Approved |
0.5974 | Remote Similarity | NPD6942 | Approved |
0.5867 | Remote Similarity | NPD2254 | Approved |
0.5867 | Remote Similarity | NPD2686 | Approved |
0.5867 | Remote Similarity | NPD2687 | Approved |
0.5844 | Remote Similarity | NPD6926 | Approved |
0.5844 | Remote Similarity | NPD6924 | Approved |
0.5833 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD4159 | Approved |
0.5769 | Remote Similarity | NPD3702 | Approved |
0.5765 | Remote Similarity | NPD3618 | Phase 1 |
0.5763 | Remote Similarity | NPD1462 | Approved |
0.5753 | Remote Similarity | NPD4224 | Phase 2 |
0.573 | Remote Similarity | NPD8171 | Discontinued |
0.5698 | Remote Similarity | NPD7524 | Approved |
0.569 | Remote Similarity | NPD1460 | Approved |
0.5663 | Remote Similarity | NPD3667 | Approved |
0.5634 | Remote Similarity | NPD368 | Approved |
0.561 | Remote Similarity | NPD6930 | Phase 2 |
0.561 | Remote Similarity | NPD6931 | Approved |
0.561 | Remote Similarity | NPD7509 | Discontinued |
PubChem CID   | 10801091 |
ChEMBL   | CHEMBL504739 |
ZINC   |
Molecular Weight:   | 256.20 |
ALogP:   | -0.6383 |
MLogP:   | 2.78 |
XLogP:   | 3.516 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 60.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 3 |
# Rings:   | 2 |
# Heavy Atoms:   | 18 |