Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | Ki | = | 2490 | nM | 15711537 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | = | 910 | nM | 26034885 |
NPT740 | Individual Protein | Beta-secretase 1 | Homo sapiens | IC50 | > | 10000 | nM | 7996553 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | IC50 | > | 30000 | nM | 12502328 |
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 NPC74639 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 |
---|---|---|
0.88 | High Similarity | NPC220379 |
0.8667 | High Similarity | NPC243594 |
0.8667 | High Similarity | NPC31031 |
0.8571 | High Similarity | NPC476928 |
0.8571 | High Similarity | NPC73515 |
0.8551 | High Similarity | NPC80463 |
0.8533 | High Similarity | NPC212453 |
0.8442 | Intermediate Similarity | NPC261616 |
0.8101 | Intermediate Similarity | NPC280781 |
0.8101 | Intermediate Similarity | NPC48756 |
0.8101 | Intermediate Similarity | NPC190940 |
0.8077 | Intermediate Similarity | NPC476176 |
0.8077 | Intermediate Similarity | NPC73013 |
0.8028 | Intermediate Similarity | NPC260116 |
0.8 | Intermediate Similarity | NPC2096 |
0.8 | Intermediate Similarity | NPC61107 |
0.8 | Intermediate Similarity | NPC286719 |
0.8 | Intermediate Similarity | NPC208912 |
0.8 | Intermediate Similarity | NPC289486 |
0.8 | Intermediate Similarity | NPC477286 |
0.7971 | Intermediate Similarity | NPC204173 |
0.7949 | Intermediate Similarity | NPC472608 |
0.7949 | Intermediate Similarity | NPC471045 |
0.7927 | Intermediate Similarity | NPC131350 |
0.7901 | Intermediate Similarity | NPC111582 |
0.7901 | Intermediate Similarity | NPC475820 |
0.7901 | Intermediate Similarity | NPC477285 |
0.7901 | Intermediate Similarity | NPC213737 |
0.7901 | Intermediate Similarity | NPC474284 |
0.7901 | Intermediate Similarity | NPC474346 |
0.7901 | Intermediate Similarity | NPC474253 |
0.7901 | Intermediate Similarity | NPC5280 |
0.7895 | Intermediate Similarity | NPC272359 |
0.7875 | Intermediate Similarity | NPC476071 |
0.7875 | Intermediate Similarity | NPC474870 |
0.7875 | Intermediate Similarity | NPC271572 |
0.7867 | Intermediate Similarity | NPC100586 |
0.7867 | Intermediate Similarity | NPC157422 |
0.7867 | Intermediate Similarity | NPC109457 |
0.7867 | Intermediate Similarity | NPC478227 |
0.7838 | Intermediate Similarity | NPC178541 |
0.7831 | Intermediate Similarity | NPC168231 |
0.7821 | Intermediate Similarity | NPC171658 |
0.7821 | Intermediate Similarity | NPC143133 |
0.7821 | Intermediate Similarity | NPC298168 |
0.7821 | Intermediate Similarity | NPC84868 |
0.7808 | Intermediate Similarity | NPC48079 |
0.7808 | Intermediate Similarity | NPC41542 |
0.7805 | Intermediate Similarity | NPC473299 |
0.7805 | Intermediate Similarity | NPC219535 |
0.7805 | Intermediate Similarity | NPC237938 |
0.7792 | Intermediate Similarity | NPC186851 |
0.7778 | Intermediate Similarity | NPC60018 |
0.7778 | Intermediate Similarity | NPC154043 |
0.7778 | Intermediate Similarity | NPC202688 |
0.7763 | Intermediate Similarity | NPC253805 |
0.775 | Intermediate Similarity | NPC206735 |
0.775 | Intermediate Similarity | NPC304194 |
0.775 | Intermediate Similarity | NPC475456 |
0.7746 | Intermediate Similarity | NPC290791 |
0.7746 | Intermediate Similarity | NPC292419 |
0.7733 | Intermediate Similarity | NPC282454 |
0.7733 | Intermediate Similarity | NPC192192 |
0.7722 | Intermediate Similarity | NPC26029 |
0.7711 | Intermediate Similarity | NPC62572 |
0.7711 | Intermediate Similarity | NPC191965 |
0.7703 | Intermediate Similarity | NPC475893 |
0.7703 | Intermediate Similarity | NPC472741 |
0.7692 | Intermediate Similarity | NPC4209 |
0.7671 | Intermediate Similarity | NPC142712 |
0.7662 | Intermediate Similarity | NPC477508 |
0.7654 | Intermediate Similarity | NPC476494 |
0.7654 | Intermediate Similarity | NPC58631 |
0.7647 | Intermediate Similarity | NPC4309 |
0.7632 | Intermediate Similarity | NPC127094 |
0.7632 | Intermediate Similarity | NPC473279 |
0.7625 | Intermediate Similarity | NPC201276 |
0.7625 | Intermediate Similarity | NPC305835 |
0.7625 | Intermediate Similarity | NPC80891 |
0.7625 | Intermediate Similarity | NPC477287 |
0.7619 | Intermediate Similarity | NPC215968 |
0.7619 | Intermediate Similarity | NPC84121 |
0.7619 | Intermediate Similarity | NPC155531 |
0.7619 | Intermediate Similarity | NPC137306 |
0.7619 | Intermediate Similarity | NPC103782 |
0.7619 | Intermediate Similarity | NPC83242 |
0.7619 | Intermediate Similarity | NPC114378 |
0.7619 | Intermediate Similarity | NPC477283 |
0.76 | Intermediate Similarity | NPC129829 |
0.76 | Intermediate Similarity | NPC254037 |
0.7595 | Intermediate Similarity | NPC317913 |
0.7595 | Intermediate Similarity | NPC207010 |
0.759 | Intermediate Similarity | NPC319909 |
0.7568 | Intermediate Similarity | NPC204233 |
0.7564 | Intermediate Similarity | NPC478105 |
0.7564 | Intermediate Similarity | NPC212733 |
0.7561 | Intermediate Similarity | NPC286786 |
0.7561 | Intermediate Similarity | NPC30583 |
0.7558 | Intermediate Similarity | NPC30522 |
0.7536 | Intermediate Similarity | NPC135438 |
0.7534 | Intermediate Similarity | NPC19311 |
0.7534 | Intermediate Similarity | NPC230047 |
0.7532 | Intermediate Similarity | NPC475230 |
0.7532 | Intermediate Similarity | NPC81759 |
0.7532 | Intermediate Similarity | NPC282905 |
0.7532 | Intermediate Similarity | NPC68426 |
0.7532 | Intermediate Similarity | NPC477229 |
0.7531 | Intermediate Similarity | NPC472943 |
0.7531 | Intermediate Similarity | NPC474714 |
0.7531 | Intermediate Similarity | NPC472951 |
0.7529 | Intermediate Similarity | NPC252714 |
0.75 | Intermediate Similarity | NPC477577 |
0.75 | Intermediate Similarity | NPC164424 |
0.75 | Intermediate Similarity | NPC171426 |
0.75 | Intermediate Similarity | NPC324700 |
0.75 | Intermediate Similarity | NPC231945 |
0.75 | Intermediate Similarity | NPC224802 |
0.75 | Intermediate Similarity | NPC34046 |
0.75 | Intermediate Similarity | NPC266651 |
0.75 | Intermediate Similarity | NPC80089 |
0.7471 | Intermediate Similarity | NPC475211 |
0.7471 | Intermediate Similarity | NPC120840 |
0.7471 | Intermediate Similarity | NPC88337 |
0.7471 | Intermediate Similarity | NPC185529 |
0.7471 | Intermediate Similarity | NPC113989 |
0.7471 | Intermediate Similarity | NPC472146 |
0.747 | Intermediate Similarity | NPC269684 |
0.747 | Intermediate Similarity | NPC473742 |
0.747 | Intermediate Similarity | NPC132386 |
0.7468 | Intermediate Similarity | NPC108840 |
0.7467 | Intermediate Similarity | NPC469987 |
0.7442 | Intermediate Similarity | NPC56777 |
0.7442 | Intermediate Similarity | NPC3032 |
0.7442 | Intermediate Similarity | NPC473319 |
0.7442 | Intermediate Similarity | NPC131104 |
0.7442 | Intermediate Similarity | NPC201607 |
0.7439 | Intermediate Similarity | NPC12933 |
0.7439 | Intermediate Similarity | NPC50658 |
0.7439 | Intermediate Similarity | NPC195334 |
0.7439 | Intermediate Similarity | NPC290495 |
0.7439 | Intermediate Similarity | NPC470154 |
0.7436 | Intermediate Similarity | NPC472945 |
0.7436 | Intermediate Similarity | NPC159325 |
0.7436 | Intermediate Similarity | NPC280026 |
0.7436 | Intermediate Similarity | NPC167702 |
0.7436 | Intermediate Similarity | NPC168511 |
0.7436 | Intermediate Similarity | NPC472944 |
0.7416 | Intermediate Similarity | NPC215700 |
0.7407 | Intermediate Similarity | NPC320144 |
0.7403 | Intermediate Similarity | NPC470071 |
0.7403 | Intermediate Similarity | NPC187471 |
0.7403 | Intermediate Similarity | NPC1340 |
0.7403 | Intermediate Similarity | NPC157777 |
0.7403 | Intermediate Similarity | NPC469940 |
0.7403 | Intermediate Similarity | NPC195530 |
0.7403 | Intermediate Similarity | NPC131506 |
0.7403 | Intermediate Similarity | NPC252182 |
0.7386 | Intermediate Similarity | NPC470590 |
0.7386 | Intermediate Similarity | NPC471901 |
0.7386 | Intermediate Similarity | NPC77099 |
0.7386 | Intermediate Similarity | NPC60755 |
0.7386 | Intermediate Similarity | NPC285184 |
0.7386 | Intermediate Similarity | NPC160506 |
0.7381 | Intermediate Similarity | NPC25037 |
0.7381 | Intermediate Similarity | NPC473336 |
0.7381 | Intermediate Similarity | NPC299963 |
0.7381 | Intermediate Similarity | NPC34984 |
0.7381 | Intermediate Similarity | NPC471044 |
0.7381 | Intermediate Similarity | NPC105895 |
0.7375 | Intermediate Similarity | NPC23884 |
0.7375 | Intermediate Similarity | NPC112463 |
0.7375 | Intermediate Similarity | NPC307865 |
0.7368 | Intermediate Similarity | NPC66407 |
0.7368 | Intermediate Similarity | NPC470833 |
0.7368 | Intermediate Similarity | NPC107919 |
0.7356 | Intermediate Similarity | NPC67653 |
0.7356 | Intermediate Similarity | NPC471459 |
0.7349 | Intermediate Similarity | NPC477284 |
0.7349 | Intermediate Similarity | NPC477446 |
0.7349 | Intermediate Similarity | NPC470155 |
0.7349 | Intermediate Similarity | NPC477447 |
0.7349 | Intermediate Similarity | NPC472504 |
0.7342 | Intermediate Similarity | NPC195155 |
0.7342 | Intermediate Similarity | NPC97534 |
0.7342 | Intermediate Similarity | NPC174964 |
0.7342 | Intermediate Similarity | NPC267753 |
0.7342 | Intermediate Similarity | NPC179858 |
0.7326 | Intermediate Similarity | NPC33768 |
0.7308 | Intermediate Similarity | NPC109510 |
0.7308 | Intermediate Similarity | NPC472341 |
0.7308 | Intermediate Similarity | NPC473238 |
0.7303 | Intermediate Similarity | NPC473690 |
0.7303 | Intermediate Similarity | NPC86368 |
0.7303 | Intermediate Similarity | NPC472147 |
0.7303 | Intermediate Similarity | NPC472148 |
0.7303 | Intermediate Similarity | NPC287118 |
0.7303 | Intermediate Similarity | NPC471902 |
0.7294 | Intermediate Similarity | NPC98270 |
0.7294 | Intermediate Similarity | NPC474572 |
0.7286 | Intermediate Similarity | NPC236588 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC74639 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 |
---|---|---|---|
0.7692 | Intermediate Similarity | NPD6117 | Approved |
0.7595 | Intermediate Similarity | NPD6116 | Phase 1 |
0.75 | Intermediate Similarity | NPD6114 | Approved |
0.75 | Intermediate Similarity | NPD6118 | Approved |
0.75 | Intermediate Similarity | NPD6115 | Approved |
0.75 | Intermediate Similarity | NPD6697 | Approved |
0.7436 | Intermediate Similarity | NPD6113 | Clinical (unspecified phase) |
0.7386 | Intermediate Similarity | NPD8034 | Phase 2 |
0.7386 | Intermediate Similarity | NPD8035 | Phase 2 |
0.7368 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD7748 | Approved |
0.7093 | Intermediate Similarity | NPD7520 | Clinical (unspecified phase) |
0.6989 | Remote Similarity | NPD7902 | Approved |
0.6962 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6962 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6962 | Remote Similarity | NPD5777 | Approved |
0.6923 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6914 | Remote Similarity | NPD3702 | Approved |
0.6835 | Remote Similarity | NPD4787 | Phase 1 |
0.6813 | Remote Similarity | NPD7515 | Phase 2 |
0.6795 | Remote Similarity | NPD5360 | Phase 3 |
0.6795 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6786 | Remote Similarity | NPD7645 | Phase 2 |
0.6753 | Remote Similarity | NPD4224 | Phase 2 |
0.675 | Remote Similarity | NPD6081 | Approved |
0.6707 | Remote Similarity | NPD3703 | Phase 2 |
0.6706 | Remote Similarity | NPD6928 | Phase 2 |
0.6667 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7900 | Approved |
0.6625 | Remote Similarity | NPD4244 | Approved |
0.6625 | Remote Similarity | NPD4245 | Approved |
0.6512 | Remote Similarity | NPD7525 | Registered |
0.65 | Remote Similarity | NPD3698 | Phase 2 |
0.6477 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6477 | Remote Similarity | NPD3669 | Approved |
0.642 | Remote Similarity | NPD4789 | Approved |
0.6392 | Remote Similarity | NPD7638 | Approved |
0.6341 | Remote Similarity | NPD4758 | Discontinued |
0.6327 | Remote Similarity | NPD7640 | Approved |
0.6327 | Remote Similarity | NPD7639 | Approved |
0.6279 | Remote Similarity | NPD3671 | Phase 1 |
0.6279 | Remote Similarity | NPD5364 | Discontinued |
0.6211 | Remote Similarity | NPD8171 | Discontinued |
0.6211 | Remote Similarity | NPD6399 | Phase 3 |
0.6203 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD7632 | Discontinued |
0.619 | Remote Similarity | NPD1811 | Approved |
0.619 | Remote Similarity | NPD1810 | Approved |
0.6163 | Remote Similarity | NPD8143 | Approved |
0.6163 | Remote Similarity | NPD8144 | Approved |
0.6162 | Remote Similarity | NPD8418 | Phase 2 |
0.6087 | Remote Similarity | NPD384 | Approved |
0.6087 | Remote Similarity | NPD385 | Approved |
0.6076 | Remote Similarity | NPD371 | Approved |
0.6024 | Remote Similarity | NPD2254 | Approved |
0.6024 | Remote Similarity | NPD2686 | Approved |
0.6024 | Remote Similarity | NPD2687 | Approved |
0.6019 | Remote Similarity | NPD5739 | Approved |
0.6019 | Remote Similarity | NPD6675 | Approved |
0.6019 | Remote Similarity | NPD7128 | Approved |
0.6019 | Remote Similarity | NPD6402 | Approved |
0.6 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5962 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.5957 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD8133 | Approved |
0.5922 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD7991 | Discontinued |
0.5909 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5905 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5905 | Remote Similarity | NPD6881 | Approved |
0.5905 | Remote Similarity | NPD6899 | Approved |
0.5905 | Remote Similarity | NPD7320 | Approved |
0.5895 | Remote Similarity | NPD6051 | Approved |
0.5889 | Remote Similarity | NPD1780 | Approved |
0.5889 | Remote Similarity | NPD1779 | Approved |
0.5888 | Remote Similarity | NPD8130 | Phase 1 |
0.5851 | Remote Similarity | NPD3573 | Approved |
0.5849 | Remote Similarity | NPD6372 | Approved |
0.5849 | Remote Similarity | NPD6373 | Approved |
0.5833 | Remote Similarity | NPD8297 | Approved |
0.5833 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5825 | Remote Similarity | NPD7986 | Approved |
0.5825 | Remote Similarity | NPD7912 | Approved |
0.5825 | Remote Similarity | NPD7911 | Approved |
0.5825 | Remote Similarity | NPD7987 | Approved |
0.581 | Remote Similarity | NPD5701 | Approved |
0.581 | Remote Similarity | NPD5697 | Approved |
0.58 | Remote Similarity | NPD6084 | Phase 2 |
0.58 | Remote Similarity | NPD6083 | Phase 2 |
0.5794 | Remote Similarity | NPD6883 | Approved |
0.5794 | Remote Similarity | NPD7290 | Approved |
0.5794 | Remote Similarity | NPD7102 | Approved |
0.5761 | Remote Similarity | NPD4788 | Approved |
0.5755 | Remote Similarity | NPD6011 | Approved |
0.5752 | Remote Similarity | NPD8377 | Approved |
0.5752 | Remote Similarity | NPD8294 | Approved |
0.5747 | Remote Similarity | NPD6942 | Approved |
0.5747 | Remote Similarity | NPD7339 | Approved |
0.5745 | Remote Similarity | NPD7521 | Approved |
0.5745 | Remote Similarity | NPD6684 | Approved |
0.5745 | Remote Similarity | NPD5330 | Approved |
0.5745 | Remote Similarity | NPD8308 | Discontinued |
0.5745 | Remote Similarity | NPD3618 | Phase 1 |
0.5745 | Remote Similarity | NPD7334 | Approved |
0.5745 | Remote Similarity | NPD6409 | Approved |
0.5745 | Remote Similarity | NPD7146 | Approved |
0.5743 | Remote Similarity | NPD4225 | Approved |
0.5741 | Remote Similarity | NPD6617 | Approved |
0.5741 | Remote Similarity | NPD6650 | Approved |
0.5741 | Remote Similarity | NPD6401 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD6869 | Approved |
0.5741 | Remote Similarity | NPD6649 | Approved |
0.5741 | Remote Similarity | NPD6847 | Approved |
0.5729 | Remote Similarity | NPD5328 | Approved |
0.5729 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD7328 | Approved |
0.5714 | Remote Similarity | NPD388 | Approved |
0.5714 | Remote Similarity | NPD8040 | Discontinued |
0.5714 | Remote Similarity | NPD386 | Approved |
0.5714 | Remote Similarity | NPD6920 | Discontinued |
0.5714 | Remote Similarity | NPD7327 | Approved |
0.5702 | Remote Similarity | NPD8033 | Approved |
0.5702 | Remote Similarity | NPD8380 | Approved |
0.5702 | Remote Similarity | NPD8296 | Approved |
0.5702 | Remote Similarity | NPD8379 | Approved |
0.5702 | Remote Similarity | NPD8378 | Approved |
0.5702 | Remote Similarity | NPD8335 | Approved |
0.5701 | Remote Similarity | NPD6013 | Approved |
0.5701 | Remote Similarity | NPD6014 | Approved |
0.5701 | Remote Similarity | NPD6012 | Approved |
0.5701 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD4786 | Approved |
0.5688 | Remote Similarity | NPD6882 | Approved |
0.5682 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5679 | Remote Similarity | NPD7909 | Approved |
0.5676 | Remote Similarity | NPD7754 | Approved |
0.5676 | Remote Similarity | NPD7755 | Approved |
0.567 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.567 | Remote Similarity | NPD6700 | Approved |
0.5664 | Remote Similarity | NPD7516 | Approved |
0.566 | Remote Similarity | NPD7989 | Approved |
0.566 | Remote Similarity | NPD7990 | Approved |
0.5652 | Remote Similarity | NPD3667 | Approved |
0.5648 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD6672 | Approved |
0.5625 | Remote Similarity | NPD7115 | Discovery |
0.5625 | Remote Similarity | NPD6903 | Approved |
0.5625 | Remote Similarity | NPD5737 | Approved |
0.5612 | Remote Similarity | NPD6702 | Approved |
0.5612 | Remote Similarity | NPD6079 | Approved |
0.5612 | Remote Similarity | NPD6411 | Approved |
0.5612 | Remote Similarity | NPD6703 | Approved |
0.5604 | Remote Similarity | NPD4748 | Discontinued |
0.5603 | Remote Similarity | NPD8328 | Phase 3 |
0.56 | Remote Similarity | NPD5695 | Phase 3 |
0.56 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
PubChem CID   | |
ChEMBL   | CHEMBL3586199 |
ZINC   |
Molecular Weight:   | 544.41 |
ALogP:   | 2.42 |
MLogP:   | 4.65 |
XLogP:   | 9.153 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 72.83 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 1 |
# Rings:   | 5 |
# Heavy Atoms:   | 39 |