Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25980 | Rhododendron molle | Species | Ericaceae | Eukaryota | TM-MC* | |||
NPO25980 | Rhododendron molle | Species | Ericaceae | Eukaryota | TCMID* | |||
NPO25878 | Rhododendron japonicum | Species | Ericaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 0.271 | mg/kg | 26599832 |
NPT32 | Organism | Mus musculus | Mus musculus | ID50 | = | 0.0469 | mg/kg | 26599832 |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 73.7 | % | 26599832 |
NPT32 | Organism | Mus musculus | Mus musculus | FC | = | 100 | 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 NPC117137 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 | NPC66766 |
0.9324 | High Similarity | NPC131584 |
0.9324 | High Similarity | NPC139765 |
0.9114 | High Similarity | NPC29342 |
0.9114 | High Similarity | NPC2572 |
0.9012 | High Similarity | NPC64862 |
0.8861 | High Similarity | NPC473257 |
0.8415 | Intermediate Similarity | NPC69953 |
0.8375 | Intermediate Similarity | NPC269333 |
0.8354 | Intermediate Similarity | NPC476233 |
0.8353 | Intermediate Similarity | NPC22376 |
0.8313 | Intermediate Similarity | NPC242016 |
0.8293 | Intermediate Similarity | NPC475388 |
0.8235 | Intermediate Similarity | NPC5943 |
0.8205 | Intermediate Similarity | NPC475458 |
0.8118 | Intermediate Similarity | NPC145245 |
0.8118 | Intermediate Similarity | NPC131365 |
0.8101 | Intermediate Similarity | NPC317242 |
0.8101 | Intermediate Similarity | NPC472950 |
0.8101 | Intermediate Similarity | NPC472952 |
0.809 | Intermediate Similarity | NPC39453 |
0.8049 | Intermediate Similarity | NPC16449 |
0.8023 | Intermediate Similarity | NPC472396 |
0.8 | Intermediate Similarity | NPC470145 |
0.8 | Intermediate Similarity | NPC163597 |
0.7927 | Intermediate Similarity | NPC477282 |
0.7927 | Intermediate Similarity | NPC287452 |
0.7927 | Intermediate Similarity | NPC81074 |
0.7901 | Intermediate Similarity | NPC474574 |
0.7901 | Intermediate Similarity | NPC133596 |
0.7901 | Intermediate Similarity | NPC105208 |
0.7901 | Intermediate Similarity | NPC185915 |
0.7901 | Intermediate Similarity | NPC128951 |
0.7901 | Intermediate Similarity | NPC302578 |
0.7901 | Intermediate Similarity | NPC477227 |
0.7901 | Intermediate Similarity | NPC192046 |
0.7901 | Intermediate Similarity | NPC11907 |
0.7901 | Intermediate Similarity | NPC64081 |
0.7882 | Intermediate Similarity | NPC474156 |
0.7867 | Intermediate Similarity | NPC165069 |
0.7848 | Intermediate Similarity | NPC153719 |
0.7848 | Intermediate Similarity | NPC470610 |
0.7831 | Intermediate Similarity | NPC474714 |
0.7816 | Intermediate Similarity | NPC210658 |
0.7816 | Intermediate Similarity | NPC161928 |
0.7805 | Intermediate Similarity | NPC67657 |
0.7805 | Intermediate Similarity | NPC18857 |
0.7805 | Intermediate Similarity | NPC471769 |
0.7791 | Intermediate Similarity | NPC266651 |
0.775 | Intermediate Similarity | NPC304499 |
0.775 | Intermediate Similarity | NPC48795 |
0.7733 | Intermediate Similarity | NPC199937 |
0.7727 | Intermediate Similarity | NPC128475 |
0.7722 | Intermediate Similarity | NPC187471 |
0.7722 | Intermediate Similarity | NPC1340 |
0.7722 | Intermediate Similarity | NPC252182 |
0.7722 | Intermediate Similarity | NPC470071 |
0.7701 | Intermediate Similarity | NPC471240 |
0.7692 | Intermediate Similarity | NPC30687 |
0.7674 | Intermediate Similarity | NPC320824 |
0.7667 | Intermediate Similarity | NPC473066 |
0.7667 | Intermediate Similarity | NPC59006 |
0.7654 | Intermediate Similarity | NPC231680 |
0.7654 | Intermediate Similarity | NPC196136 |
0.7654 | Intermediate Similarity | NPC270306 |
0.7654 | Intermediate Similarity | NPC243027 |
0.7654 | Intermediate Similarity | NPC158208 |
0.7654 | Intermediate Similarity | NPC91387 |
0.7647 | Intermediate Similarity | NPC470611 |
0.764 | Intermediate Similarity | NPC228059 |
0.7632 | Intermediate Similarity | NPC472946 |
0.7619 | Intermediate Similarity | NPC472943 |
0.7619 | Intermediate Similarity | NPC472951 |
0.7595 | Intermediate Similarity | NPC251201 |
0.7595 | Intermediate Similarity | NPC232925 |
0.7595 | Intermediate Similarity | NPC63588 |
0.759 | Intermediate Similarity | NPC147993 |
0.759 | Intermediate Similarity | NPC471045 |
0.7586 | Intermediate Similarity | NPC232044 |
0.7586 | Intermediate Similarity | NPC273290 |
0.7564 | Intermediate Similarity | NPC474756 |
0.7558 | Intermediate Similarity | NPC470070 |
0.7531 | Intermediate Similarity | NPC228994 |
0.7531 | Intermediate Similarity | NPC192501 |
0.7531 | Intermediate Similarity | NPC10476 |
0.75 | Intermediate Similarity | NPC157777 |
0.75 | Intermediate Similarity | NPC127283 |
0.75 | Intermediate Similarity | NPC155531 |
0.75 | Intermediate Similarity | NPC215968 |
0.75 | Intermediate Similarity | NPC131506 |
0.75 | Intermediate Similarity | NPC470424 |
0.75 | Intermediate Similarity | NPC8004 |
0.75 | Intermediate Similarity | NPC476176 |
0.75 | Intermediate Similarity | NPC175 |
0.7471 | Intermediate Similarity | NPC227260 |
0.747 | Intermediate Similarity | NPC188793 |
0.7468 | Intermediate Similarity | NPC477820 |
0.7468 | Intermediate Similarity | NPC66407 |
0.7468 | Intermediate Similarity | NPC107919 |
0.7444 | Intermediate Similarity | NPC20822 |
0.7442 | Intermediate Similarity | NPC60018 |
0.7442 | Intermediate Similarity | NPC296734 |
0.7442 | Intermediate Similarity | NPC202688 |
0.7442 | Intermediate Similarity | NPC154043 |
0.7436 | Intermediate Similarity | NPC63190 |
0.7419 | Intermediate Similarity | NPC473065 |
0.7419 | Intermediate Similarity | NPC473067 |
0.7419 | Intermediate Similarity | NPC473064 |
0.7391 | Intermediate Similarity | NPC182740 |
0.7391 | Intermediate Similarity | NPC211845 |
0.7391 | Intermediate Similarity | NPC122083 |
0.7391 | Intermediate Similarity | NPC167644 |
0.7391 | Intermediate Similarity | NPC256104 |
0.7391 | Intermediate Similarity | NPC311246 |
0.7386 | Intermediate Similarity | NPC290612 |
0.7363 | Intermediate Similarity | NPC279329 |
0.7363 | Intermediate Similarity | NPC473542 |
0.7356 | Intermediate Similarity | NPC477285 |
0.7356 | Intermediate Similarity | NPC478054 |
0.7356 | Intermediate Similarity | NPC111582 |
0.734 | Intermediate Similarity | NPC156377 |
0.734 | Intermediate Similarity | NPC142264 |
0.734 | Intermediate Similarity | NPC476510 |
0.7333 | Intermediate Similarity | NPC281004 |
0.7317 | Intermediate Similarity | NPC470151 |
0.7317 | Intermediate Similarity | NPC472944 |
0.7317 | Intermediate Similarity | NPC472945 |
0.7312 | Intermediate Similarity | NPC252253 |
0.7312 | Intermediate Similarity | NPC3538 |
0.7312 | Intermediate Similarity | NPC113500 |
0.7312 | Intermediate Similarity | NPC477224 |
0.7312 | Intermediate Similarity | NPC45959 |
0.7303 | Intermediate Similarity | NPC474448 |
0.7303 | Intermediate Similarity | NPC472745 |
0.7303 | Intermediate Similarity | NPC477283 |
0.7292 | Intermediate Similarity | NPC470030 |
0.7284 | Intermediate Similarity | NPC127094 |
0.7284 | Intermediate Similarity | NPC109457 |
0.7284 | Intermediate Similarity | NPC195530 |
0.7284 | Intermediate Similarity | NPC100586 |
0.7284 | Intermediate Similarity | NPC157422 |
0.7283 | Intermediate Similarity | NPC293609 |
0.7283 | Intermediate Similarity | NPC149966 |
0.7283 | Intermediate Similarity | NPC5632 |
0.7283 | Intermediate Similarity | NPC36372 |
0.7273 | Intermediate Similarity | NPC86238 |
0.7273 | Intermediate Similarity | NPC476702 |
0.7263 | Intermediate Similarity | NPC233649 |
0.7263 | Intermediate Similarity | NPC470028 |
0.7262 | Intermediate Similarity | NPC171658 |
0.7253 | Intermediate Similarity | NPC102725 |
0.7253 | Intermediate Similarity | NPC82955 |
0.7253 | Intermediate Similarity | NPC473472 |
0.725 | Intermediate Similarity | NPC241085 |
0.725 | Intermediate Similarity | NPC299948 |
0.725 | Intermediate Similarity | NPC470833 |
0.725 | Intermediate Similarity | NPC470830 |
0.7241 | Intermediate Similarity | NPC286719 |
0.7241 | Intermediate Similarity | NPC477286 |
0.7237 | Intermediate Similarity | NPC95804 |
0.7237 | Intermediate Similarity | NPC185547 |
0.7229 | Intermediate Similarity | NPC186851 |
0.7222 | Intermediate Similarity | NPC202937 |
0.7222 | Intermediate Similarity | NPC43912 |
0.7222 | Intermediate Similarity | NPC140446 |
0.7209 | Intermediate Similarity | NPC186588 |
0.7209 | Intermediate Similarity | NPC7479 |
0.7209 | Intermediate Similarity | NPC257296 |
0.7209 | Intermediate Similarity | NPC248944 |
0.7204 | Intermediate Similarity | NPC144790 |
0.7204 | Intermediate Similarity | NPC88962 |
0.7204 | Intermediate Similarity | NPC473726 |
0.7204 | Intermediate Similarity | NPC149400 |
0.7204 | Intermediate Similarity | NPC277774 |
0.72 | Intermediate Similarity | NPC475968 |
0.7195 | Intermediate Similarity | NPC473238 |
0.7195 | Intermediate Similarity | NPC472341 |
0.7179 | Intermediate Similarity | NPC243469 |
0.7179 | Intermediate Similarity | NPC190827 |
0.7179 | Intermediate Similarity | NPC475943 |
0.7176 | Intermediate Similarity | NPC177343 |
0.7174 | Intermediate Similarity | NPC470832 |
0.7174 | Intermediate Similarity | NPC65550 |
0.7174 | Intermediate Similarity | NPC223143 |
0.7162 | Intermediate Similarity | NPC150713 |
0.7162 | Intermediate Similarity | NPC119425 |
0.7162 | Intermediate Similarity | NPC29976 |
0.716 | Intermediate Similarity | NPC282454 |
0.716 | Intermediate Similarity | NPC192192 |
0.7158 | Intermediate Similarity | NPC139271 |
0.7158 | Intermediate Similarity | NPC304011 |
0.7158 | Intermediate Similarity | NPC116683 |
0.7143 | Intermediate Similarity | NPC477614 |
0.7143 | Intermediate Similarity | NPC136424 |
0.7143 | Intermediate Similarity | NPC473436 |
0.7143 | Intermediate Similarity | NPC249078 |
0.7143 | Intermediate Similarity | NPC236099 |
0.7143 | Intermediate Similarity | NPC209686 |
0.7143 | Intermediate Similarity | NPC226491 |
0.7143 | Intermediate Similarity | NPC107963 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC117137 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 |
---|---|---|---|
0.7468 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7209 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7021 | Intermediate Similarity | NPD8171 | Discontinued |
0.6747 | Remote Similarity | NPD4787 | Phase 1 |
0.67 | Remote Similarity | NPD1700 | Approved |
0.6625 | Remote Similarity | NPD371 | Approved |
0.6404 | Remote Similarity | NPD6115 | Approved |
0.6404 | Remote Similarity | NPD6697 | Approved |
0.6404 | Remote Similarity | NPD6118 | Approved |
0.6404 | Remote Similarity | NPD6114 | Approved |
0.6346 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6322 | Remote Similarity | NPD1811 | Approved |
0.6322 | Remote Similarity | NPD1810 | Approved |
0.6292 | Remote Similarity | NPD6116 | Phase 1 |
0.6264 | Remote Similarity | NPD7525 | Registered |
0.62 | Remote Similarity | NPD7991 | Discontinued |
0.618 | Remote Similarity | NPD6117 | Approved |
0.617 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6163 | Remote Similarity | NPD4244 | Approved |
0.6163 | Remote Similarity | NPD4245 | Approved |
0.6163 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6146 | Remote Similarity | NPD7524 | Approved |
0.6092 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6092 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6067 | Remote Similarity | NPD3702 | Approved |
0.6067 | Remote Similarity | NPD3703 | Phase 2 |
0.6064 | Remote Similarity | NPD6695 | Phase 3 |
0.6047 | Remote Similarity | NPD3698 | Phase 2 |
0.5977 | Remote Similarity | NPD2686 | Approved |
0.5977 | Remote Similarity | NPD2687 | Approved |
0.5977 | Remote Similarity | NPD2254 | Approved |
0.5965 | Remote Similarity | NPD7328 | Approved |
0.5965 | Remote Similarity | NPD7327 | Approved |
0.5955 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5948 | Remote Similarity | NPD8033 | Approved |
0.5914 | Remote Similarity | NPD4748 | Discontinued |
0.5913 | Remote Similarity | NPD7516 | Approved |
0.5905 | Remote Similarity | NPD4159 | Approved |
0.5872 | Remote Similarity | NPD7320 | Approved |
0.5862 | Remote Similarity | NPD8377 | Approved |
0.5862 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD8294 | Approved |
0.5824 | Remote Similarity | NPD6933 | Approved |
0.5816 | Remote Similarity | NPD7750 | Discontinued |
0.5812 | Remote Similarity | NPD8296 | Approved |
0.5812 | Remote Similarity | NPD8335 | Approved |
0.5812 | Remote Similarity | NPD8378 | Approved |
0.5812 | Remote Similarity | NPD8380 | Approved |
0.5812 | Remote Similarity | NPD8379 | Approved |
0.5811 | Remote Similarity | NPD384 | Approved |
0.5811 | Remote Similarity | NPD385 | Approved |
0.5795 | Remote Similarity | NPD4789 | Approved |
0.578 | Remote Similarity | NPD6412 | Phase 2 |
0.5747 | Remote Similarity | NPD6705 | Phase 1 |
0.5747 | Remote Similarity | NPD5360 | Phase 3 |
0.5747 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD6931 | Approved |
0.5745 | Remote Similarity | NPD6930 | Phase 2 |
0.5741 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD5777 | Approved |
0.5729 | Remote Similarity | NPD3669 | Approved |
0.5729 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD6054 | Approved |
0.5726 | Remote Similarity | NPD6059 | Approved |
0.5714 | Remote Similarity | NPD7638 | Approved |
0.5688 | Remote Similarity | NPD5739 | Approved |
0.5688 | Remote Similarity | NPD6402 | Approved |
0.5688 | Remote Similarity | NPD6008 | Approved |
0.5688 | Remote Similarity | NPD6675 | Approved |
0.5688 | Remote Similarity | NPD7128 | Approved |
0.5678 | Remote Similarity | NPD7503 | Approved |
0.5676 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5664 | Remote Similarity | NPD6053 | Discontinued |
0.566 | Remote Similarity | NPD7640 | Approved |
0.566 | Remote Similarity | NPD7639 | Approved |
0.5657 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5644 | Remote Similarity | NPD6700 | Approved |
0.5644 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.5638 | Remote Similarity | NPD6929 | Approved |
0.563 | Remote Similarity | NPD6370 | Approved |
0.5625 | Remote Similarity | NPD4634 | Approved |
0.562 | Remote Similarity | NPD7507 | Approved |
0.5619 | Remote Similarity | NPD4755 | Approved |
0.5614 | Remote Similarity | NPD4632 | Approved |
0.5614 | Remote Similarity | NPD8133 | Approved |
0.5604 | Remote Similarity | NPD6926 | Approved |
0.5604 | Remote Similarity | NPD6924 | Approved |
PubChem CID   | 21151017 |
ChEMBL   | CHEMBL3763486 |
ZINC   |
Molecular Weight:   | 368.22 |
ALogP:   | -1.8402 |
MLogP:   | 3 |
XLogP:   | 0.323 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 113.68 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 5 |
# Rings:   | 5 |
# Heavy Atoms:   | 26 |