Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4944 | Organism | Anopheles minimus | Anopheles minimus | LC50 | = | 39 | ppm | 17958396 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | MIC | = | 1000 | ug | 11844671 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | MIC | = | 2.47 | nM | 25637363 |
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 NPC65045 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 |
---|---|---|
0.964 | High Similarity | NPC470000 |
0.9626 | High Similarity | NPC43648 |
0.9279 | High Similarity | NPC469997 |
0.8803 | High Similarity | NPC111162 |
0.8803 | High Similarity | NPC323168 |
0.8803 | High Similarity | NPC477990 |
0.8803 | High Similarity | NPC293550 |
0.8803 | High Similarity | NPC477989 |
0.8729 | High Similarity | NPC469999 |
0.8462 | Intermediate Similarity | NPC477986 |
0.8462 | Intermediate Similarity | NPC138534 |
0.8417 | Intermediate Similarity | NPC471087 |
0.8417 | Intermediate Similarity | NPC326386 |
0.8417 | Intermediate Similarity | NPC477985 |
0.8361 | Intermediate Similarity | NPC173173 |
0.8235 | Intermediate Similarity | NPC11379 |
0.8226 | Intermediate Similarity | NPC477988 |
0.8211 | Intermediate Similarity | NPC471086 |
0.8049 | Intermediate Similarity | NPC329401 |
0.8049 | Intermediate Similarity | NPC477987 |
0.736 | Intermediate Similarity | NPC230849 |
0.7339 | Intermediate Similarity | NPC174463 |
0.7273 | Intermediate Similarity | NPC58281 |
0.7179 | Intermediate Similarity | NPC473289 |
0.7063 | Intermediate Similarity | NPC235625 |
0.6889 | Remote Similarity | NPC133089 |
0.688 | Remote Similarity | NPC193471 |
0.688 | Remote Similarity | NPC130124 |
0.68 | Remote Similarity | NPC474995 |
0.6797 | Remote Similarity | NPC106791 |
0.6797 | Remote Similarity | NPC201889 |
0.6783 | Remote Similarity | NPC469998 |
0.6783 | Remote Similarity | NPC471483 |
0.6746 | Remote Similarity | NPC475988 |
0.6693 | Remote Similarity | NPC474984 |
0.6691 | Remote Similarity | NPC120335 |
0.6667 | Remote Similarity | NPC284656 |
0.6641 | Remote Similarity | NPC23963 |
0.6641 | Remote Similarity | NPC30196 |
0.6639 | Remote Similarity | NPC64168 |
0.6639 | Remote Similarity | NPC75523 |
0.6618 | Remote Similarity | NPC215507 |
0.6618 | Remote Similarity | NPC307165 |
0.6613 | Remote Similarity | NPC287572 |
0.6613 | Remote Similarity | NPC471636 |
0.6589 | Remote Similarity | NPC6531 |
0.6587 | Remote Similarity | NPC47857 |
0.6587 | Remote Similarity | NPC316984 |
0.6587 | Remote Similarity | NPC30911 |
0.6587 | Remote Similarity | NPC168758 |
0.6587 | Remote Similarity | NPC181510 |
0.6585 | Remote Similarity | NPC93179 |
0.6557 | Remote Similarity | NPC6271 |
0.6557 | Remote Similarity | NPC173690 |
0.6557 | Remote Similarity | NPC80439 |
0.6557 | Remote Similarity | NPC279833 |
0.6541 | Remote Similarity | NPC318445 |
0.6541 | Remote Similarity | NPC316133 |
0.6535 | Remote Similarity | NPC261750 |
0.6535 | Remote Similarity | NPC60432 |
0.6535 | Remote Similarity | NPC1111 |
0.6535 | Remote Similarity | NPC279383 |
0.6532 | Remote Similarity | NPC271562 |
0.6532 | Remote Similarity | NPC250187 |
0.6519 | Remote Similarity | NPC314282 |
0.6504 | Remote Similarity | NPC477000 |
0.6504 | Remote Similarity | NPC44514 |
0.6504 | Remote Similarity | NPC477001 |
0.6504 | Remote Similarity | NPC469604 |
0.648 | Remote Similarity | NPC474969 |
0.648 | Remote Similarity | NPC476034 |
0.6471 | Remote Similarity | NPC473333 |
0.6457 | Remote Similarity | NPC29501 |
0.6452 | Remote Similarity | NPC135216 |
0.6452 | Remote Similarity | NPC101106 |
0.6429 | Remote Similarity | NPC474891 |
0.6418 | Remote Similarity | NPC314629 |
0.6417 | Remote Similarity | NPC2666 |
0.641 | Remote Similarity | NPC299808 |
0.641 | Remote Similarity | NPC118844 |
0.641 | Remote Similarity | NPC110875 |
0.641 | Remote Similarity | NPC72183 |
0.6406 | Remote Similarity | NPC268327 |
0.6406 | Remote Similarity | NPC273215 |
0.6406 | Remote Similarity | NPC295444 |
0.6397 | Remote Similarity | NPC476951 |
0.6387 | Remote Similarity | NPC150041 |
0.6387 | Remote Similarity | NPC471492 |
0.6385 | Remote Similarity | NPC477554 |
0.6378 | Remote Similarity | NPC127578 |
0.637 | Remote Similarity | NPC314451 |
0.637 | Remote Similarity | NPC313342 |
0.637 | Remote Similarity | NPC314512 |
0.637 | Remote Similarity | NPC313333 |
0.6364 | Remote Similarity | NPC203627 |
0.6341 | Remote Similarity | NPC474244 |
0.6336 | Remote Similarity | NPC477553 |
0.6331 | Remote Similarity | NPC316401 |
0.6325 | Remote Similarity | NPC471184 |
0.632 | Remote Similarity | NPC471844 |
0.6312 | Remote Similarity | NPC471256 |
0.6304 | Remote Similarity | NPC315387 |
0.6304 | Remote Similarity | NPC316205 |
0.6288 | Remote Similarity | NPC477555 |
0.6281 | Remote Similarity | NPC471490 |
0.6281 | Remote Similarity | NPC52820 |
0.6281 | Remote Similarity | NPC476344 |
0.6271 | Remote Similarity | NPC470520 |
0.6268 | Remote Similarity | NPC297058 |
0.625 | Remote Similarity | NPC469603 |
0.6241 | Remote Similarity | NPC120420 |
0.624 | Remote Similarity | NPC133420 |
0.623 | Remote Similarity | NPC270813 |
0.6218 | Remote Similarity | NPC473520 |
0.6204 | Remote Similarity | NPC474371 |
0.6202 | Remote Similarity | NPC470534 |
0.6198 | Remote Similarity | NPC173329 |
0.6198 | Remote Similarity | NPC288350 |
0.6197 | Remote Similarity | NPC99864 |
0.619 | Remote Similarity | NPC82251 |
0.619 | Remote Similarity | NPC239961 |
0.6186 | Remote Similarity | NPC3436 |
0.6183 | Remote Similarity | NPC106446 |
0.6176 | Remote Similarity | NPC315783 |
0.6167 | Remote Similarity | NPC470521 |
0.6165 | Remote Similarity | NPC476956 |
0.6154 | Remote Similarity | NPC469466 |
0.6154 | Remote Similarity | NPC276995 |
0.6154 | Remote Similarity | NPC76660 |
0.6143 | Remote Similarity | NPC478139 |
0.6129 | Remote Similarity | NPC474873 |
0.6129 | Remote Similarity | NPC198992 |
0.6124 | Remote Similarity | NPC122926 |
0.6124 | Remote Similarity | NPC470530 |
0.6124 | Remote Similarity | NPC470531 |
0.6124 | Remote Similarity | NPC470528 |
0.6124 | Remote Similarity | NPC470533 |
0.6124 | Remote Similarity | NPC470532 |
0.6124 | Remote Similarity | NPC470527 |
0.6124 | Remote Similarity | NPC113012 |
0.6124 | Remote Similarity | NPC470529 |
0.6121 | Remote Similarity | NPC469860 |
0.6121 | Remote Similarity | NPC469861 |
0.6121 | Remote Similarity | NPC130436 |
0.6119 | Remote Similarity | NPC477515 |
0.6119 | Remote Similarity | NPC313802 |
0.6119 | Remote Similarity | NPC67917 |
0.6119 | Remote Similarity | NPC314268 |
0.6111 | Remote Similarity | NPC230889 |
0.6111 | Remote Similarity | NPC474917 |
0.6111 | Remote Similarity | NPC205176 |
0.6103 | Remote Similarity | NPC287236 |
0.6102 | Remote Similarity | NPC225283 |
0.6098 | Remote Similarity | NPC472015 |
0.6094 | Remote Similarity | NPC475960 |
0.6094 | Remote Similarity | NPC474099 |
0.6083 | Remote Similarity | NPC472196 |
0.6083 | Remote Similarity | NPC472195 |
0.6083 | Remote Similarity | NPC59646 |
0.6083 | Remote Similarity | NPC156553 |
0.6083 | Remote Similarity | NPC238090 |
0.6083 | Remote Similarity | NPC475098 |
0.6083 | Remote Similarity | NPC189651 |
0.608 | Remote Similarity | NPC121423 |
0.6071 | Remote Similarity | NPC470539 |
0.6068 | Remote Similarity | NPC313658 |
0.6068 | Remote Similarity | NPC316138 |
0.6066 | Remote Similarity | NPC471843 |
0.6066 | Remote Similarity | NPC98165 |
0.6063 | Remote Similarity | NPC85670 |
0.6063 | Remote Similarity | NPC475918 |
0.6058 | Remote Similarity | NPC471255 |
0.605 | Remote Similarity | NPC202886 |
0.6047 | Remote Similarity | NPC133625 |
0.6045 | Remote Similarity | NPC476952 |
0.6034 | Remote Similarity | NPC471494 |
0.6033 | Remote Similarity | NPC159698 |
0.6033 | Remote Similarity | NPC256368 |
0.6032 | Remote Similarity | NPC199831 |
0.6032 | Remote Similarity | NPC474828 |
0.6032 | Remote Similarity | NPC474827 |
0.6032 | Remote Similarity | NPC68001 |
0.6032 | Remote Similarity | NPC265094 |
0.6029 | Remote Similarity | NPC476504 |
0.6016 | Remote Similarity | NPC475074 |
0.6 | Remote Similarity | NPC477793 |
0.6 | Remote Similarity | NPC175842 |
0.6 | Remote Similarity | NPC32494 |
0.6 | Remote Similarity | NPC477749 |
0.6 | Remote Similarity | NPC329919 |
0.6 | Remote Similarity | NPC219038 |
0.5983 | Remote Similarity | NPC311163 |
0.5971 | Remote Similarity | NPC309525 |
0.5971 | Remote Similarity | NPC471263 |
0.5968 | Remote Similarity | NPC187268 |
0.5966 | Remote Similarity | NPC477748 |
0.5952 | Remote Similarity | NPC471599 |
0.5952 | Remote Similarity | NPC86077 |
0.595 | Remote Similarity | NPC472640 |
0.595 | Remote Similarity | NPC475173 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC65045 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 |
---|---|---|---|
0.685 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6718 | Remote Similarity | NPD8080 | Discontinued |
0.6667 | Remote Similarity | NPD7641 | Discontinued |
0.6641 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6587 | Remote Similarity | NPD2204 | Approved |
0.6567 | Remote Similarity | NPD8451 | Approved |
0.6541 | Remote Similarity | NPD7642 | Approved |
0.6519 | Remote Similarity | NPD8448 | Approved |
0.6496 | Remote Similarity | NPD8390 | Approved |
0.6496 | Remote Similarity | NPD8392 | Approved |
0.6496 | Remote Similarity | NPD8391 | Approved |
0.6452 | Remote Similarity | NPD4211 | Phase 1 |
0.637 | Remote Similarity | NPD8340 | Approved |
0.637 | Remote Similarity | NPD8299 | Approved |
0.637 | Remote Similarity | NPD8341 | Approved |
0.637 | Remote Similarity | NPD8342 | Approved |
0.6324 | Remote Similarity | NPD8273 | Phase 1 |
0.6268 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.6231 | Remote Similarity | NPD1376 | Discontinued |
0.6197 | Remote Similarity | NPD8415 | Approved |
0.6195 | Remote Similarity | NPD883 | Phase 2 |
0.6195 | Remote Similarity | NPD882 | Phase 2 |
0.6176 | Remote Similarity | NPD7830 | Approved |
0.6176 | Remote Similarity | NPD7829 | Approved |
0.617 | Remote Similarity | NPD6845 | Suspended |
0.6098 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6029 | Remote Similarity | NPD8444 | Approved |
0.6 | Remote Similarity | NPD2495 | Phase 3 |
0.6 | Remote Similarity | NPD8337 | Approved |
0.6 | Remote Similarity | NPD8336 | Approved |
0.5946 | Remote Similarity | NPD8384 | Approved |
0.5944 | Remote Similarity | NPD2613 | Approved |
0.5931 | Remote Similarity | NPD2574 | Discontinued |
0.5931 | Remote Similarity | NPD3616 | Approved |
0.5931 | Remote Similarity | NPD3615 | Approved |
0.5931 | Remote Similarity | NPD3088 | Approved |
0.5931 | Remote Similarity | NPD4746 | Phase 3 |
0.5931 | Remote Similarity | NPD3089 | Approved |
0.5931 | Remote Similarity | NPD2573 | Approved |
0.5931 | Remote Similarity | NPD3090 | Approved |
0.5931 | Remote Similarity | NPD3614 | Approved |
0.5931 | Remote Similarity | NPD2571 | Approved |
0.5931 | Remote Similarity | NPD3087 | Approved |
0.5931 | Remote Similarity | NPD2566 | Approved |
0.5931 | Remote Similarity | NPD2570 | Approved |
0.5931 | Remote Similarity | NPD2572 | Clinical (unspecified phase) |
0.5931 | Remote Similarity | NPD4745 | Approved |
0.5912 | Remote Similarity | NPD8267 | Approved |
0.5912 | Remote Similarity | NPD8268 | Approved |
0.5912 | Remote Similarity | NPD8269 | Approved |
0.5912 | Remote Similarity | NPD8266 | Approved |
0.5891 | Remote Similarity | NPD8140 | Approved |
0.5855 | Remote Similarity | NPD2575 | Approved |
0.585 | Remote Similarity | NPD4684 | Phase 3 |
0.585 | Remote Similarity | NPD4686 | Approved |
0.585 | Remote Similarity | NPD4685 | Phase 3 |
0.5846 | Remote Similarity | NPD6686 | Approved |
0.5833 | Remote Similarity | NPD8338 | Approved |
0.5785 | Remote Similarity | NPD6698 | Approved |
0.5785 | Remote Similarity | NPD46 | Approved |
0.5785 | Remote Similarity | NPD7838 | Discovery |
0.5781 | Remote Similarity | NPD8276 | Approved |
0.5781 | Remote Similarity | NPD1407 | Approved |
0.5781 | Remote Similarity | NPD8275 | Approved |
0.5769 | Remote Similarity | NPD8307 | Discontinued |
0.5764 | Remote Similarity | NPD7260 | Phase 2 |
0.5758 | Remote Similarity | NPD6421 | Discontinued |
0.5705 | Remote Similarity | NPD8389 | Clinical (unspecified phase) |
0.5703 | Remote Similarity | NPD8086 | Approved |
0.5703 | Remote Similarity | NPD8085 | Approved |
0.5703 | Remote Similarity | NPD8082 | Approved |
0.5703 | Remote Similarity | NPD8139 | Approved |
0.5703 | Remote Similarity | NPD8084 | Approved |
0.5703 | Remote Similarity | NPD8083 | Approved |
0.5703 | Remote Similarity | NPD8138 | Approved |
0.5692 | Remote Similarity | NPD8393 | Approved |
0.5672 | Remote Similarity | NPD6429 | Approved |
0.5672 | Remote Similarity | NPD6430 | Approved |
0.566 | Remote Similarity | NPD8414 | Discontinued |
0.5655 | Remote Similarity | NPD2101 | Approved |
0.5639 | Remote Similarity | NPD8087 | Discontinued |
0.562 | Remote Similarity | NPD7500 | Approved |
0.562 | Remote Similarity | NPD7505 | Discontinued |
0.5615 | Remote Similarity | NPD8081 | Approved |
0.5612 | Remote Similarity | NPD8346 | Approved |
0.5612 | Remote Similarity | NPD8347 | Approved |
0.5612 | Remote Similarity | NPD8345 | Approved |
0.5603 | Remote Similarity | NPD7122 | Discontinued |
PubChem CID   | 44566734 |
ChEMBL   | CHEMBL467414 |
ZINC   |
Molecular Weight:   | 405.22 |
ALogP:   | -2.588 |
MLogP:   | 3.11 |
XLogP:   | 2.313 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 77.46 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 1 |
# Rings:   | 5 |
# Heavy Atoms:   | 29 |