Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25980 | Rhododendron molle | Species | Ericaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 129.36 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 130.17 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 154.31 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 210.65 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 45.44 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 39.37 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 39.83 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 95.81 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 96.23 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 90.49 | % | 18024584 |
NPT1892 | Cell Line | H4 | Rattus norvegicus | Activity | = | 91.03 | % | 18024584 |
NPT4520 | Organism | Lymantria dispar | Lymantria dispar | Activity | = | 49 | % | 10.1021/np50011a016 |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | -8.91 | % | 23062825 |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | 4.52 | % | 23062825 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 55.6 | % | 26599832 |
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 NPC131584 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 |
---|---|---|
1.0 | High Similarity | NPC139765 |
0.9324 | High Similarity | NPC66766 |
0.9324 | High Similarity | NPC117137 |
0.8961 | High Similarity | NPC29342 |
0.8961 | High Similarity | NPC2572 |
0.8846 | High Similarity | NPC242016 |
0.8684 | High Similarity | NPC269333 |
0.8649 | High Similarity | NPC317242 |
0.8625 | High Similarity | NPC145245 |
0.8533 | High Similarity | NPC163597 |
0.8421 | Intermediate Similarity | NPC192046 |
0.8421 | Intermediate Similarity | NPC128951 |
0.8421 | Intermediate Similarity | NPC185915 |
0.8421 | Intermediate Similarity | NPC105208 |
0.8421 | Intermediate Similarity | NPC302578 |
0.8421 | Intermediate Similarity | NPC477227 |
0.8415 | Intermediate Similarity | NPC22376 |
0.8395 | Intermediate Similarity | NPC64862 |
0.8378 | Intermediate Similarity | NPC470610 |
0.8378 | Intermediate Similarity | NPC153719 |
0.8312 | Intermediate Similarity | NPC67657 |
0.8312 | Intermediate Similarity | NPC18857 |
0.8267 | Intermediate Similarity | NPC48795 |
0.8267 | Intermediate Similarity | NPC304499 |
0.8267 | Intermediate Similarity | NPC475458 |
0.825 | Intermediate Similarity | NPC69953 |
0.8228 | Intermediate Similarity | NPC473257 |
0.8205 | Intermediate Similarity | NPC287452 |
0.8169 | Intermediate Similarity | NPC472946 |
0.8158 | Intermediate Similarity | NPC158208 |
0.8158 | Intermediate Similarity | NPC196136 |
0.8158 | Intermediate Similarity | NPC243027 |
0.8125 | Intermediate Similarity | NPC475388 |
0.8108 | Intermediate Similarity | NPC251201 |
0.8108 | Intermediate Similarity | NPC63588 |
0.8108 | Intermediate Similarity | NPC232925 |
0.8082 | Intermediate Similarity | NPC474756 |
0.8026 | Intermediate Similarity | NPC10476 |
0.8026 | Intermediate Similarity | NPC228994 |
0.8026 | Intermediate Similarity | NPC192501 |
0.7975 | Intermediate Similarity | NPC81074 |
0.7975 | Intermediate Similarity | NPC477282 |
0.7973 | Intermediate Similarity | NPC107919 |
0.7973 | Intermediate Similarity | NPC66407 |
0.7973 | Intermediate Similarity | NPC477820 |
0.7949 | Intermediate Similarity | NPC11907 |
0.7949 | Intermediate Similarity | NPC474574 |
0.7949 | Intermediate Similarity | NPC64081 |
0.7949 | Intermediate Similarity | NPC133596 |
0.7945 | Intermediate Similarity | NPC63190 |
0.7931 | Intermediate Similarity | NPC39453 |
0.7857 | Intermediate Similarity | NPC472396 |
0.7857 | Intermediate Similarity | NPC5943 |
0.7848 | Intermediate Similarity | NPC147993 |
0.7805 | Intermediate Similarity | NPC478054 |
0.7763 | Intermediate Similarity | NPC252182 |
0.7763 | Intermediate Similarity | NPC187471 |
0.7763 | Intermediate Similarity | NPC1340 |
0.7763 | Intermediate Similarity | NPC470071 |
0.7763 | Intermediate Similarity | NPC127094 |
0.7738 | Intermediate Similarity | NPC131365 |
0.7733 | Intermediate Similarity | NPC470833 |
0.7722 | Intermediate Similarity | NPC476233 |
0.7714 | Intermediate Similarity | NPC475968 |
0.7692 | Intermediate Similarity | NPC91387 |
0.7692 | Intermediate Similarity | NPC231680 |
0.7692 | Intermediate Similarity | NPC270306 |
0.7681 | Intermediate Similarity | NPC29976 |
0.7681 | Intermediate Similarity | NPC150713 |
0.7681 | Intermediate Similarity | NPC119425 |
0.7671 | Intermediate Similarity | NPC190827 |
0.7671 | Intermediate Similarity | NPC243469 |
0.7671 | Intermediate Similarity | NPC475943 |
0.7654 | Intermediate Similarity | NPC474714 |
0.7647 | Intermediate Similarity | NPC210658 |
0.7647 | Intermediate Similarity | NPC161928 |
0.7639 | Intermediate Similarity | NPC236099 |
0.7639 | Intermediate Similarity | NPC209686 |
0.7639 | Intermediate Similarity | NPC249078 |
0.7632 | Intermediate Similarity | NPC192192 |
0.7625 | Intermediate Similarity | NPC471045 |
0.7619 | Intermediate Similarity | NPC266651 |
0.7595 | Intermediate Similarity | NPC470145 |
0.759 | Intermediate Similarity | NPC470070 |
0.7568 | Intermediate Similarity | NPC44122 |
0.7558 | Intermediate Similarity | NPC128475 |
0.7532 | Intermediate Similarity | NPC157777 |
0.7532 | Intermediate Similarity | NPC131506 |
0.7529 | Intermediate Similarity | NPC471240 |
0.7529 | Intermediate Similarity | NPC121981 |
0.75 | Intermediate Similarity | NPC320824 |
0.75 | Intermediate Similarity | NPC474156 |
0.75 | Intermediate Similarity | NPC95804 |
0.75 | Intermediate Similarity | NPC470830 |
0.75 | Intermediate Similarity | NPC129829 |
0.75 | Intermediate Similarity | NPC185547 |
0.75 | Intermediate Similarity | NPC299948 |
0.75 | Intermediate Similarity | NPC99264 |
0.75 | Intermediate Similarity | NPC254037 |
0.75 | Intermediate Similarity | NPC241085 |
0.75 | Intermediate Similarity | NPC255882 |
0.747 | Intermediate Similarity | NPC60018 |
0.747 | Intermediate Similarity | NPC470611 |
0.747 | Intermediate Similarity | NPC202688 |
0.747 | Intermediate Similarity | NPC154043 |
0.7468 | Intermediate Similarity | NPC472952 |
0.7468 | Intermediate Similarity | NPC472950 |
0.7439 | Intermediate Similarity | NPC16449 |
0.7412 | Intermediate Similarity | NPC273290 |
0.7412 | Intermediate Similarity | NPC232044 |
0.7403 | Intermediate Similarity | NPC231945 |
0.7391 | Intermediate Similarity | NPC277917 |
0.7391 | Intermediate Similarity | NPC89069 |
0.7391 | Intermediate Similarity | NPC166894 |
0.7391 | Intermediate Similarity | NPC283655 |
0.7391 | Intermediate Similarity | NPC178223 |
0.7381 | Intermediate Similarity | NPC477285 |
0.7381 | Intermediate Similarity | NPC216420 |
0.7381 | Intermediate Similarity | NPC85095 |
0.7381 | Intermediate Similarity | NPC232023 |
0.7381 | Intermediate Similarity | NPC111582 |
0.7381 | Intermediate Similarity | NPC211135 |
0.7375 | Intermediate Similarity | NPC473916 |
0.7375 | Intermediate Similarity | NPC477601 |
0.7375 | Intermediate Similarity | NPC477602 |
0.7368 | Intermediate Similarity | NPC472741 |
0.7342 | Intermediate Similarity | NPC472944 |
0.7342 | Intermediate Similarity | NPC472945 |
0.7333 | Intermediate Similarity | NPC470424 |
0.7326 | Intermediate Similarity | NPC476726 |
0.7326 | Intermediate Similarity | NPC476727 |
0.7326 | Intermediate Similarity | NPC215968 |
0.7326 | Intermediate Similarity | NPC155531 |
0.7326 | Intermediate Similarity | NPC472272 |
0.7317 | Intermediate Similarity | NPC476176 |
0.7317 | Intermediate Similarity | NPC329871 |
0.7308 | Intermediate Similarity | NPC100586 |
0.7308 | Intermediate Similarity | NPC109457 |
0.7308 | Intermediate Similarity | NPC157422 |
0.7303 | Intermediate Similarity | NPC473066 |
0.7297 | Intermediate Similarity | NPC281540 |
0.7297 | Intermediate Similarity | NPC159654 |
0.7297 | Intermediate Similarity | NPC199937 |
0.7297 | Intermediate Similarity | NPC167995 |
0.7297 | Intermediate Similarity | NPC118937 |
0.7294 | Intermediate Similarity | NPC227260 |
0.7284 | Intermediate Similarity | NPC171658 |
0.7273 | Intermediate Similarity | NPC228059 |
0.7273 | Intermediate Similarity | NPC20822 |
0.7273 | Intermediate Similarity | NPC109744 |
0.7262 | Intermediate Similarity | NPC477286 |
0.7262 | Intermediate Similarity | NPC296734 |
0.7262 | Intermediate Similarity | NPC286719 |
0.7241 | Intermediate Similarity | NPC186145 |
0.7241 | Intermediate Similarity | NPC474657 |
0.7237 | Intermediate Similarity | NPC48079 |
0.7237 | Intermediate Similarity | NPC473230 |
0.7237 | Intermediate Similarity | NPC475884 |
0.7229 | Intermediate Similarity | NPC71535 |
0.7229 | Intermediate Similarity | NPC78545 |
0.7229 | Intermediate Similarity | NPC470609 |
0.7222 | Intermediate Similarity | NPC311246 |
0.7222 | Intermediate Similarity | NPC167644 |
0.7222 | Intermediate Similarity | NPC256104 |
0.7222 | Intermediate Similarity | NPC211845 |
0.7222 | Intermediate Similarity | NPC122083 |
0.7222 | Intermediate Similarity | NPC182740 |
0.7215 | Intermediate Similarity | NPC472341 |
0.7215 | Intermediate Similarity | NPC476422 |
0.7215 | Intermediate Similarity | NPC473238 |
0.7209 | Intermediate Similarity | NPC290612 |
0.72 | Intermediate Similarity | NPC165069 |
0.7195 | Intermediate Similarity | NPC477817 |
0.7195 | Intermediate Similarity | NPC471769 |
0.7195 | Intermediate Similarity | NPC477819 |
0.7191 | Intermediate Similarity | NPC473956 |
0.7191 | Intermediate Similarity | NPC475751 |
0.7191 | Intermediate Similarity | NPC279329 |
0.7191 | Intermediate Similarity | NPC473542 |
0.7183 | Intermediate Similarity | NPC291147 |
0.7179 | Intermediate Similarity | NPC282454 |
0.7162 | Intermediate Similarity | NPC114891 |
0.7159 | Intermediate Similarity | NPC281004 |
0.7159 | Intermediate Similarity | NPC475664 |
0.7143 | Intermediate Similarity | NPC175 |
0.7143 | Intermediate Similarity | NPC45959 |
0.7143 | Intermediate Similarity | NPC190940 |
0.7143 | Intermediate Similarity | NPC3538 |
0.7143 | Intermediate Similarity | NPC477224 |
0.7143 | Intermediate Similarity | NPC252253 |
0.7143 | Intermediate Similarity | NPC113500 |
0.7143 | Intermediate Similarity | NPC469745 |
0.7143 | Intermediate Similarity | NPC30687 |
0.7126 | Intermediate Similarity | NPC474448 |
0.7126 | Intermediate Similarity | NPC477283 |
0.7126 | Intermediate Similarity | NPC201273 |
0.7126 | Intermediate Similarity | NPC6605 |
0.7125 | Intermediate Similarity | NPC477508 |
0.7125 | Intermediate Similarity | NPC470151 |
0.7111 | Intermediate Similarity | NPC59006 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC131584 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 |
---|---|---|---|
0.7973 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7179 | Intermediate Similarity | NPD4787 | Phase 1 |
0.7024 | Intermediate Similarity | NPD6928 | Phase 2 |
0.6848 | Remote Similarity | NPD8171 | Discontinued |
0.6786 | Remote Similarity | NPD6118 | Approved |
0.6786 | Remote Similarity | NPD6114 | Approved |
0.6786 | Remote Similarity | NPD6697 | Approved |
0.6786 | Remote Similarity | NPD6115 | Approved |
0.6667 | Remote Similarity | NPD6116 | Phase 1 |
0.6628 | Remote Similarity | NPD7525 | Registered |
0.6623 | Remote Similarity | NPD371 | Approved |
0.6548 | Remote Similarity | NPD6117 | Approved |
0.6543 | Remote Similarity | NPD4244 | Approved |
0.6543 | Remote Similarity | NPD4245 | Approved |
0.6463 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6463 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD3703 | Phase 2 |
0.642 | Remote Similarity | NPD3698 | Phase 2 |
0.6329 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.631 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4748 | Discontinued |
0.6232 | Remote Similarity | NPD385 | Approved |
0.6232 | Remote Similarity | NPD384 | Approved |
0.622 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.622 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD1700 | Approved |
0.6176 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6163 | Remote Similarity | NPD6933 | Approved |
0.6154 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6145 | Remote Similarity | NPD4789 | Approved |
0.6129 | Remote Similarity | NPD7524 | Approved |
0.6118 | Remote Similarity | NPD1811 | Approved |
0.6118 | Remote Similarity | NPD1810 | Approved |
0.6098 | Remote Similarity | NPD5360 | Phase 3 |
0.6098 | Remote Similarity | NPD6705 | Phase 1 |
0.6098 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6067 | Remote Similarity | NPD6930 | Phase 2 |
0.6067 | Remote Similarity | NPD6931 | Approved |
0.6047 | Remote Similarity | NPD3702 | Approved |
0.6044 | Remote Similarity | NPD6695 | Phase 3 |
0.602 | Remote Similarity | NPD7991 | Discontinued |
0.5977 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5957 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD6929 | Approved |
0.5952 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD6700 | Approved |
0.593 | Remote Similarity | NPD6926 | Approved |
0.593 | Remote Similarity | NPD6924 | Approved |
0.5909 | Remote Similarity | NPD6932 | Approved |
0.59 | Remote Similarity | NPD4755 | Approved |
0.5888 | Remote Similarity | NPD4634 | Approved |
0.5882 | Remote Similarity | NPD4243 | Approved |
0.5876 | Remote Similarity | NPD6703 | Approved |
0.5876 | Remote Similarity | NPD6702 | Approved |
0.587 | Remote Similarity | NPD4788 | Approved |
0.5862 | Remote Similarity | NPD6942 | Approved |
0.5862 | Remote Similarity | NPD7339 | Approved |
0.5857 | Remote Similarity | NPD386 | Approved |
0.5857 | Remote Similarity | NPD388 | Approved |
0.5849 | Remote Similarity | NPD7320 | Approved |
0.5816 | Remote Similarity | NPD4202 | Approved |
0.5804 | Remote Similarity | NPD7327 | Approved |
0.5804 | Remote Similarity | NPD7328 | Approved |
0.5789 | Remote Similarity | NPD8033 | Approved |
0.5789 | Remote Similarity | NPD7750 | Discontinued |
0.5784 | Remote Similarity | NPD5285 | Approved |
0.5784 | Remote Similarity | NPD4700 | Approved |
0.5784 | Remote Similarity | NPD5286 | Approved |
0.5784 | Remote Similarity | NPD4696 | Approved |
0.5778 | Remote Similarity | NPD6683 | Phase 2 |
0.5765 | Remote Similarity | NPD2687 | Approved |
0.5765 | Remote Similarity | NPD2254 | Approved |
0.5765 | Remote Similarity | NPD2686 | Approved |
0.5752 | Remote Similarity | NPD7516 | Approved |
0.5747 | Remote Similarity | NPD4785 | Approved |
0.5747 | Remote Similarity | NPD4784 | Approved |
0.5745 | Remote Similarity | NPD6893 | Approved |
0.5745 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD5776 | Phase 2 |
0.573 | Remote Similarity | NPD6925 | Approved |
0.5714 | Remote Similarity | NPD7514 | Phase 3 |
0.5714 | Remote Similarity | NPD586 | Phase 1 |
0.5714 | Remote Similarity | NPD7509 | Discontinued |
0.5702 | Remote Similarity | NPD8377 | Approved |
0.5702 | Remote Similarity | NPD8294 | Approved |
0.5698 | Remote Similarity | NPD6081 | Approved |
0.5698 | Remote Similarity | NPD4758 | Discontinued |
0.5698 | Remote Similarity | NPD5777 | Approved |
0.5696 | Remote Similarity | NPD3198 | Approved |
0.5673 | Remote Similarity | NPD5224 | Approved |
0.5673 | Remote Similarity | NPD5225 | Approved |
0.5673 | Remote Similarity | NPD4633 | Approved |
0.5673 | Remote Similarity | NPD5211 | Phase 2 |
0.5673 | Remote Similarity | NPD5226 | Approved |
0.567 | Remote Similarity | NPD4753 | Phase 2 |
0.5667 | Remote Similarity | NPD7145 | Approved |
0.5667 | Remote Similarity | NPD3671 | Phase 1 |
0.5667 | Remote Similarity | NPD5364 | Discontinued |
0.566 | Remote Similarity | NPD7128 | Approved |
0.566 | Remote Similarity | NPD6402 | Approved |
0.566 | Remote Similarity | NPD5739 | Approved |
0.566 | Remote Similarity | NPD6675 | Approved |
0.5652 | Remote Similarity | NPD8378 | Approved |
0.5652 | Remote Similarity | NPD8380 | Approved |
0.5652 | Remote Similarity | NPD8296 | Approved |
0.5652 | Remote Similarity | NPD8379 | Approved |
0.5652 | Remote Similarity | NPD8335 | Approved |
0.5619 | Remote Similarity | NPD5175 | Approved |
0.5619 | Remote Similarity | NPD5174 | Approved |
0.5607 | Remote Similarity | NPD6412 | Phase 2 |
0.5604 | Remote Similarity | NPD7645 | Phase 2 |
PubChem CID   | 11057730 |
ChEMBL   | CHEMBL454313 |
ZINC   |
Molecular Weight:   | 370.24 |
ALogP:   | -1.8404 |
MLogP:   | 3 |
XLogP:   | 0.335 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 121.38 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 6 |
# Rings:   | 4 |
# Heavy Atoms:   | 26 |