Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4944 | Organism | Anopheles minimus | Anopheles minimus | LC50 | = | 18 | ppm | 10924160 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | MIC | > | 1000 | ug | 20439614 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | MIC | > | 2.88 | nM | 13678412 |
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 NPC43648 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 |
---|---|---|
0.9626 | High Similarity | NPC469997 |
0.9626 | High Similarity | NPC65045 |
0.9279 | High Similarity | NPC470000 |
0.9035 | High Similarity | NPC469999 |
0.8761 | High Similarity | NPC477986 |
0.8761 | High Similarity | NPC138534 |
0.8644 | High Similarity | NPC173173 |
0.8462 | Intermediate Similarity | NPC293550 |
0.8462 | Intermediate Similarity | NPC477990 |
0.8462 | Intermediate Similarity | NPC111162 |
0.8462 | Intermediate Similarity | NPC323168 |
0.8462 | Intermediate Similarity | NPC477989 |
0.8319 | Intermediate Similarity | NPC477987 |
0.8319 | Intermediate Similarity | NPC329401 |
0.8083 | Intermediate Similarity | NPC471087 |
0.8083 | Intermediate Similarity | NPC477985 |
0.8083 | Intermediate Similarity | NPC326386 |
0.8049 | Intermediate Similarity | NPC477988 |
0.7899 | Intermediate Similarity | NPC11379 |
0.7886 | Intermediate Similarity | NPC471086 |
0.7603 | Intermediate Similarity | NPC230849 |
0.7583 | Intermediate Similarity | NPC174463 |
0.7521 | Intermediate Similarity | NPC58281 |
0.7027 | Intermediate Similarity | NPC469998 |
0.6864 | Remote Similarity | NPC75523 |
0.6838 | Remote Similarity | NPC473289 |
0.6818 | Remote Similarity | NPC215507 |
0.6818 | Remote Similarity | NPC307165 |
0.6807 | Remote Similarity | NPC93179 |
0.6746 | Remote Similarity | NPC235625 |
0.6723 | Remote Similarity | NPC44514 |
0.6716 | Remote Similarity | NPC133089 |
0.6694 | Remote Similarity | NPC130124 |
0.6694 | Remote Similarity | NPC193471 |
0.6637 | Remote Similarity | NPC110875 |
0.6637 | Remote Similarity | NPC118844 |
0.6637 | Remote Similarity | NPC72183 |
0.6637 | Remote Similarity | NPC299808 |
0.656 | Remote Similarity | NPC475988 |
0.6508 | Remote Similarity | NPC474984 |
0.6484 | Remote Similarity | NPC201889 |
0.6484 | Remote Similarity | NPC106791 |
0.6484 | Remote Similarity | NPC284656 |
0.648 | Remote Similarity | NPC474995 |
0.6475 | Remote Similarity | NPC250187 |
0.6462 | Remote Similarity | NPC23963 |
0.6446 | Remote Similarity | NPC133420 |
0.6441 | Remote Similarity | NPC270813 |
0.6435 | Remote Similarity | NPC471483 |
0.6423 | Remote Similarity | NPC287572 |
0.6423 | Remote Similarity | NPC474969 |
0.6423 | Remote Similarity | NPC476034 |
0.6423 | Remote Similarity | NPC471636 |
0.64 | Remote Similarity | NPC47857 |
0.64 | Remote Similarity | NPC168758 |
0.64 | Remote Similarity | NPC316984 |
0.64 | Remote Similarity | NPC30911 |
0.64 | Remote Similarity | NPC181510 |
0.6397 | Remote Similarity | NPC120335 |
0.6341 | Remote Similarity | NPC271562 |
0.6339 | Remote Similarity | NPC469860 |
0.6339 | Remote Similarity | NPC469861 |
0.6339 | Remote Similarity | NPC130436 |
0.6328 | Remote Similarity | NPC477554 |
0.6328 | Remote Similarity | NPC30196 |
0.632 | Remote Similarity | NPC470527 |
0.632 | Remote Similarity | NPC470530 |
0.632 | Remote Similarity | NPC470533 |
0.632 | Remote Similarity | NPC470532 |
0.632 | Remote Similarity | NPC470529 |
0.632 | Remote Similarity | NPC470528 |
0.632 | Remote Similarity | NPC470531 |
0.6311 | Remote Similarity | NPC469604 |
0.6311 | Remote Similarity | NPC64168 |
0.6279 | Remote Similarity | NPC6531 |
0.6279 | Remote Similarity | NPC477553 |
0.6271 | Remote Similarity | NPC471843 |
0.626 | Remote Similarity | NPC101106 |
0.626 | Remote Similarity | NPC135216 |
0.6241 | Remote Similarity | NPC316133 |
0.6241 | Remote Similarity | NPC318445 |
0.6231 | Remote Similarity | NPC477555 |
0.623 | Remote Similarity | NPC279833 |
0.623 | Remote Similarity | NPC80439 |
0.623 | Remote Similarity | NPC173690 |
0.623 | Remote Similarity | NPC6271 |
0.6222 | Remote Similarity | NPC314282 |
0.622 | Remote Similarity | NPC261750 |
0.622 | Remote Similarity | NPC279383 |
0.622 | Remote Similarity | NPC60432 |
0.622 | Remote Similarity | NPC1111 |
0.619 | Remote Similarity | NPC127578 |
0.6186 | Remote Similarity | NPC471492 |
0.6186 | Remote Similarity | NPC150041 |
0.6179 | Remote Similarity | NPC477000 |
0.6179 | Remote Similarity | NPC477001 |
0.6148 | Remote Similarity | NPC474244 |
0.6142 | Remote Similarity | NPC29501 |
0.6134 | Remote Similarity | NPC473333 |
0.6129 | Remote Similarity | NPC471844 |
0.6121 | Remote Similarity | NPC471184 |
0.6119 | Remote Similarity | NPC314629 |
0.6111 | Remote Similarity | NPC474891 |
0.6103 | Remote Similarity | NPC476951 |
0.6094 | Remote Similarity | NPC273215 |
0.6094 | Remote Similarity | NPC268327 |
0.6094 | Remote Similarity | NPC295444 |
0.6083 | Remote Similarity | NPC2666 |
0.6083 | Remote Similarity | NPC52820 |
0.6083 | Remote Similarity | NPC471490 |
0.6083 | Remote Similarity | NPC476344 |
0.6074 | Remote Similarity | NPC321197 |
0.6074 | Remote Similarity | NPC313342 |
0.6074 | Remote Similarity | NPC313333 |
0.6074 | Remote Similarity | NPC314512 |
0.6074 | Remote Similarity | NPC314451 |
0.6063 | Remote Similarity | NPC469603 |
0.6043 | Remote Similarity | NPC316401 |
0.6034 | Remote Similarity | NPC242877 |
0.6034 | Remote Similarity | NPC64913 |
0.6033 | Remote Similarity | NPC203627 |
0.6028 | Remote Similarity | NPC471256 |
0.6016 | Remote Similarity | NPC470534 |
0.6014 | Remote Similarity | NPC315387 |
0.6014 | Remote Similarity | NPC316205 |
0.5986 | Remote Similarity | NPC297058 |
0.5957 | Remote Similarity | NPC120420 |
0.595 | Remote Similarity | NPC153559 |
0.5942 | Remote Similarity | NPC478136 |
0.5932 | Remote Similarity | NPC470520 |
0.5929 | Remote Similarity | NPC170286 |
0.592 | Remote Similarity | NPC205176 |
0.592 | Remote Similarity | NPC307846 |
0.592 | Remote Similarity | NPC305157 |
0.5915 | Remote Similarity | NPC99864 |
0.5912 | Remote Similarity | NPC474371 |
0.5906 | Remote Similarity | NPC470535 |
0.5906 | Remote Similarity | NPC474099 |
0.5902 | Remote Similarity | NPC473307 |
0.5902 | Remote Similarity | NPC124181 |
0.5899 | Remote Similarity | NPC470539 |
0.5882 | Remote Similarity | NPC315783 |
0.5882 | Remote Similarity | NPC473520 |
0.5878 | Remote Similarity | NPC106446 |
0.5873 | Remote Similarity | NPC82251 |
0.5873 | Remote Similarity | NPC239961 |
0.5868 | Remote Similarity | NPC173329 |
0.5868 | Remote Similarity | NPC288350 |
0.5865 | Remote Similarity | NPC476956 |
0.5859 | Remote Similarity | NPC470536 |
0.5857 | Remote Similarity | NPC478139 |
0.5854 | Remote Similarity | NPC469402 |
0.5854 | Remote Similarity | NPC26597 |
0.5847 | Remote Similarity | NPC80875 |
0.5847 | Remote Similarity | NPC3436 |
0.5847 | Remote Similarity | NPC159568 |
0.5846 | Remote Similarity | NPC276995 |
0.5846 | Remote Similarity | NPC469466 |
0.5846 | Remote Similarity | NPC76660 |
0.584 | Remote Similarity | NPC474827 |
0.584 | Remote Similarity | NPC68001 |
0.584 | Remote Similarity | NPC265094 |
0.584 | Remote Similarity | NPC199831 |
0.584 | Remote Similarity | NPC474828 |
0.5833 | Remote Similarity | NPC470994 |
0.5833 | Remote Similarity | NPC230889 |
0.5833 | Remote Similarity | NPC470521 |
0.5821 | Remote Similarity | NPC67917 |
0.5821 | Remote Similarity | NPC314268 |
0.5821 | Remote Similarity | NPC477515 |
0.5821 | Remote Similarity | NPC313802 |
0.582 | Remote Similarity | NPC241426 |
0.5814 | Remote Similarity | NPC122926 |
0.5814 | Remote Similarity | NPC113012 |
0.5809 | Remote Similarity | NPC287236 |
0.5806 | Remote Similarity | NPC219038 |
0.5806 | Remote Similarity | NPC474348 |
0.5806 | Remote Similarity | NPC474873 |
0.5806 | Remote Similarity | NPC198992 |
0.5798 | Remote Similarity | NPC175842 |
0.5798 | Remote Similarity | NPC32494 |
0.5794 | Remote Similarity | NPC474917 |
0.5789 | Remote Similarity | NPC475714 |
0.5785 | Remote Similarity | NPC291709 |
0.5785 | Remote Similarity | NPC241407 |
0.5781 | Remote Similarity | NPC475960 |
0.5778 | Remote Similarity | NPC163693 |
0.5778 | Remote Similarity | NPC147635 |
0.5772 | Remote Similarity | NPC472015 |
0.5766 | Remote Similarity | NPC471255 |
0.5763 | Remote Similarity | NPC225283 |
0.576 | Remote Similarity | NPC121423 |
0.576 | Remote Similarity | NPC471599 |
0.5752 | Remote Similarity | NPC473339 |
0.5752 | Remote Similarity | NPC471552 |
0.575 | Remote Similarity | NPC156553 |
0.575 | Remote Similarity | NPC238090 |
0.575 | Remote Similarity | NPC472195 |
0.575 | Remote Similarity | NPC59646 |
0.575 | Remote Similarity | NPC475098 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC43648 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 |
---|---|---|---|
0.6535 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6412 | Remote Similarity | NPD8080 | Discontinued |
0.64 | Remote Similarity | NPD2204 | Approved |
0.6357 | Remote Similarity | NPD7641 | Discontinued |
0.6336 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD8451 | Approved |
0.626 | Remote Similarity | NPD4211 | Phase 1 |
0.6241 | Remote Similarity | NPD7642 | Approved |
0.6222 | Remote Similarity | NPD8448 | Approved |
0.6204 | Remote Similarity | NPD8392 | Approved |
0.6204 | Remote Similarity | NPD8391 | Approved |
0.6204 | Remote Similarity | NPD8390 | Approved |
0.6176 | Remote Similarity | NPD8336 | Approved |
0.6176 | Remote Similarity | NPD8337 | Approved |
0.6074 | Remote Similarity | NPD8342 | Approved |
0.6074 | Remote Similarity | NPD8341 | Approved |
0.6074 | Remote Similarity | NPD8340 | Approved |
0.6074 | Remote Similarity | NPD8299 | Approved |
0.6029 | Remote Similarity | NPD8273 | Phase 1 |
0.6 | Remote Similarity | NPD8338 | Approved |
0.6 | Remote Similarity | NPD6845 | Suspended |
0.5986 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5923 | Remote Similarity | NPD1376 | Discontinued |
0.5915 | Remote Similarity | NPD8415 | Approved |
0.5882 | Remote Similarity | NPD7829 | Approved |
0.5882 | Remote Similarity | NPD7830 | Approved |
0.5841 | Remote Similarity | NPD883 | Phase 2 |
0.5841 | Remote Similarity | NPD882 | Phase 2 |
0.5794 | Remote Similarity | NPD6704 | Discontinued |
0.5772 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5738 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD8444 | Approved |
0.5704 | Remote Similarity | NPD2495 | Phase 3 |
0.5676 | Remote Similarity | NPD8384 | Approved |
0.5664 | Remote Similarity | NPD2613 | Approved |
0.5655 | Remote Similarity | NPD3615 | Approved |
0.5655 | Remote Similarity | NPD3087 | Approved |
0.5655 | Remote Similarity | NPD2572 | Clinical (unspecified phase) |
0.5655 | Remote Similarity | NPD2571 | Approved |
0.5655 | Remote Similarity | NPD2574 | Discontinued |
0.5655 | Remote Similarity | NPD2570 | Approved |
0.5655 | Remote Similarity | NPD2573 | Approved |
0.5655 | Remote Similarity | NPD3614 | Approved |
0.5655 | Remote Similarity | NPD3616 | Approved |
0.5655 | Remote Similarity | NPD2566 | Approved |
0.5655 | Remote Similarity | NPD4745 | Approved |
0.5655 | Remote Similarity | NPD3089 | Approved |
0.5655 | Remote Similarity | NPD3090 | Approved |
0.5655 | Remote Similarity | NPD4746 | Phase 3 |
0.5655 | Remote Similarity | NPD3088 | Approved |
0.562 | Remote Similarity | NPD8266 | Approved |
0.562 | Remote Similarity | NPD8268 | Approved |
0.562 | Remote Similarity | NPD8267 | Approved |
0.562 | Remote Similarity | NPD8269 | Approved |
0.5607 | Remote Similarity | NPD2694 | Approved |
0.5607 | Remote Similarity | NPD2697 | Approved |
0.5607 | Remote Similarity | NPD2696 | Approved |
0.5607 | Remote Similarity | NPD2695 | Approved |
PubChem CID   | 11035419 |
ChEMBL   | CHEMBL467208 |
ZINC   |
Molecular Weight:   | 347.17 |
ALogP:   | -1.7786 |
MLogP:   | 2.89 |
XLogP:   | 2.167 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 57.23 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 0 |
# Rings:   | 5 |
# Heavy Atoms:   | 25 |