Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO17539 | Ajuga decumbens | Species | Lamiaceae | Eukaryota |
PMID[9748375] |
|||
NPO2226 | Nauclea latifolia | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO9917 | Plagiomnium cuspidatum | Species | Mniaceae | Eukaryota | UNPD* | |||
NPO16055 | Klyxum molle | Species | Alcyoniidae | Eukaryota | UNPD* | |||
NPO1419 | Corynebacterium ammoniagenes | Species | Corynebacteriaceae | Bacteria | UNPD* | |||
NPO17306 | Dryopteris championii | Species | Dryopteridaceae | Eukaryota | UNPD* | |||
NPO11664 | Thelenota ananas | Species | Stichopodidae | Eukaryota | UNPD* | |||
NPO12201 | Pteronia divaricata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO13163 | Ajugae decumbentis herba | NA | NA | NA | TCMSP* | |||
NPO29685 | Eucommiae folium | NA | NA | NA | TCMSP* | |||
NPO29635 | Eucommiae cortex | NA | NA | NA | TCMSP* | |||
NPO17717 | Clerodendrum thomsoniae | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO1048 | Ajuga reptans | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Inhibition | = | 0 | % | 9748375 | |
NPT2 | Others | Unspecified | Inhibition | = | 22.4 | % | 9748375 | |
NPT2 | Others | Unspecified | Inhibition | = | 71.3 | % | 9748375 | |
NPT2 | Others | Unspecified | Inhibition | = | 90.3 | % | 9748375 | |
NPT80 | Cell Line | Raji | Homo sapiens | Activity | = | 60 | % | 9748375 |
NPT80 | Cell Line | Raji | Homo sapiens | Activity | > | 80 | % | 9748375 |
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 NPC93190 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 |
---|---|---|
0.9765 | High Similarity | NPC294643 |
0.9765 | High Similarity | NPC473150 |
0.9765 | High Similarity | NPC274274 |
0.9529 | High Similarity | NPC50464 |
0.9176 | High Similarity | NPC149018 |
0.9176 | High Similarity | NPC171484 |
0.8941 | High Similarity | NPC98276 |
0.8941 | High Similarity | NPC259296 |
0.8652 | High Similarity | NPC22918 |
0.8539 | High Similarity | NPC148534 |
0.8427 | Intermediate Similarity | NPC258501 |
0.8261 | Intermediate Similarity | NPC276298 |
0.8261 | Intermediate Similarity | NPC235051 |
0.8191 | Intermediate Similarity | NPC93869 |
0.8191 | Intermediate Similarity | NPC6765 |
0.8182 | Intermediate Similarity | NPC127235 |
0.8144 | Intermediate Similarity | NPC216911 |
0.8144 | Intermediate Similarity | NPC287539 |
0.8144 | Intermediate Similarity | NPC3488 |
0.8105 | Intermediate Similarity | NPC284063 |
0.8085 | Intermediate Similarity | NPC274588 |
0.8041 | Intermediate Similarity | NPC476211 |
0.8041 | Intermediate Similarity | NPC476320 |
0.8021 | Intermediate Similarity | NPC470683 |
0.8021 | Intermediate Similarity | NPC86843 |
0.8021 | Intermediate Similarity | NPC470684 |
0.798 | Intermediate Similarity | NPC37240 |
0.798 | Intermediate Similarity | NPC329834 |
0.7959 | Intermediate Similarity | NPC476230 |
0.7959 | Intermediate Similarity | NPC27474 |
0.7921 | Intermediate Similarity | NPC148270 |
0.7921 | Intermediate Similarity | NPC197813 |
0.7921 | Intermediate Similarity | NPC80338 |
0.7917 | Intermediate Similarity | NPC170527 |
0.7917 | Intermediate Similarity | NPC161293 |
0.7879 | Intermediate Similarity | NPC4899 |
0.7879 | Intermediate Similarity | NPC177013 |
0.7879 | Intermediate Similarity | NPC35185 |
0.7879 | Intermediate Similarity | NPC474730 |
0.7879 | Intermediate Similarity | NPC304163 |
0.7843 | Intermediate Similarity | NPC110701 |
0.78 | Intermediate Similarity | NPC329704 |
0.78 | Intermediate Similarity | NPC475928 |
0.7778 | Intermediate Similarity | NPC476228 |
0.7778 | Intermediate Similarity | NPC20673 |
0.7692 | Intermediate Similarity | NPC193741 |
0.7692 | Intermediate Similarity | NPC220167 |
0.7692 | Intermediate Similarity | NPC136699 |
0.7677 | Intermediate Similarity | NPC244878 |
0.7653 | Intermediate Similarity | NPC472290 |
0.7647 | Intermediate Similarity | NPC170432 |
0.7615 | Intermediate Similarity | NPC219656 |
0.7604 | Intermediate Similarity | NPC280390 |
0.7579 | Intermediate Similarity | NPC117596 |
0.7576 | Intermediate Similarity | NPC151093 |
0.7551 | Intermediate Similarity | NPC241911 |
0.7547 | Intermediate Similarity | NPC475851 |
0.7547 | Intermediate Similarity | NPC475924 |
0.7526 | Intermediate Similarity | NPC63897 |
0.7525 | Intermediate Similarity | NPC106668 |
0.75 | Intermediate Similarity | NPC306344 |
0.75 | Intermediate Similarity | NPC66504 |
0.75 | Intermediate Similarity | NPC472124 |
0.75 | Intermediate Similarity | NPC472126 |
0.75 | Intermediate Similarity | NPC255677 |
0.75 | Intermediate Similarity | NPC472125 |
0.75 | Intermediate Similarity | NPC22149 |
0.7477 | Intermediate Similarity | NPC233500 |
0.7451 | Intermediate Similarity | NPC27687 |
0.7449 | Intermediate Similarity | NPC101051 |
0.7429 | Intermediate Similarity | NPC208307 |
0.7426 | Intermediate Similarity | NPC28304 |
0.7426 | Intermediate Similarity | NPC4637 |
0.7426 | Intermediate Similarity | NPC298255 |
0.7426 | Intermediate Similarity | NPC98859 |
0.7426 | Intermediate Similarity | NPC219038 |
0.7423 | Intermediate Similarity | NPC61201 |
0.7411 | Intermediate Similarity | NPC196130 |
0.74 | Intermediate Similarity | NPC469919 |
0.74 | Intermediate Similarity | NPC469918 |
0.74 | Intermediate Similarity | NPC96399 |
0.74 | Intermediate Similarity | NPC117066 |
0.74 | Intermediate Similarity | NPC223700 |
0.74 | Intermediate Similarity | NPC157739 |
0.7396 | Intermediate Similarity | NPC307699 |
0.7386 | Intermediate Similarity | NPC279575 |
0.7379 | Intermediate Similarity | NPC86095 |
0.7374 | Intermediate Similarity | NPC474297 |
0.7364 | Intermediate Similarity | NPC472080 |
0.7353 | Intermediate Similarity | NPC195510 |
0.7353 | Intermediate Similarity | NPC13171 |
0.7353 | Intermediate Similarity | NPC471599 |
0.7345 | Intermediate Similarity | NPC219804 |
0.734 | Intermediate Similarity | NPC470657 |
0.7333 | Intermediate Similarity | NPC170595 |
0.73 | Intermediate Similarity | NPC473555 |
0.73 | Intermediate Similarity | NPC278939 |
0.73 | Intermediate Similarity | NPC471770 |
0.73 | Intermediate Similarity | NPC58267 |
0.73 | Intermediate Similarity | NPC261372 |
0.73 | Intermediate Similarity | NPC263674 |
0.7282 | Intermediate Similarity | NPC197541 |
0.7282 | Intermediate Similarity | NPC234304 |
0.7282 | Intermediate Similarity | NPC284929 |
0.7282 | Intermediate Similarity | NPC118761 |
0.7282 | Intermediate Similarity | NPC267869 |
0.7263 | Intermediate Similarity | NPC31349 |
0.7248 | Intermediate Similarity | NPC106446 |
0.7245 | Intermediate Similarity | NPC474835 |
0.7238 | Intermediate Similarity | NPC470170 |
0.7238 | Intermediate Similarity | NPC470169 |
0.7234 | Intermediate Similarity | NPC477747 |
0.7234 | Intermediate Similarity | NPC477746 |
0.7228 | Intermediate Similarity | NPC37866 |
0.7216 | Intermediate Similarity | NPC216826 |
0.7216 | Intermediate Similarity | NPC270908 |
0.7216 | Intermediate Similarity | NPC470573 |
0.7216 | Intermediate Similarity | NPC231710 |
0.7216 | Intermediate Similarity | NPC120021 |
0.7216 | Intermediate Similarity | NPC65665 |
0.7184 | Intermediate Similarity | NPC261117 |
0.7184 | Intermediate Similarity | NPC250545 |
0.7184 | Intermediate Similarity | NPC222062 |
0.7184 | Intermediate Similarity | NPC310804 |
0.7157 | Intermediate Similarity | NPC317019 |
0.7129 | Intermediate Similarity | NPC236580 |
0.7129 | Intermediate Similarity | NPC304445 |
0.7113 | Intermediate Similarity | NPC299527 |
0.7113 | Intermediate Similarity | NPC477748 |
0.71 | Intermediate Similarity | NPC291709 |
0.71 | Intermediate Similarity | NPC241407 |
0.7087 | Intermediate Similarity | NPC67296 |
0.7083 | Intermediate Similarity | NPC316629 |
0.7075 | Intermediate Similarity | NPC470166 |
0.7075 | Intermediate Similarity | NPC474285 |
0.7075 | Intermediate Similarity | NPC254538 |
0.7071 | Intermediate Similarity | NPC470187 |
0.7059 | Intermediate Similarity | NPC274458 |
0.7053 | Intermediate Similarity | NPC470658 |
0.7045 | Intermediate Similarity | NPC470660 |
0.7045 | Intermediate Similarity | NPC470659 |
0.7041 | Intermediate Similarity | NPC303451 |
0.7041 | Intermediate Similarity | NPC202886 |
0.7041 | Intermediate Similarity | NPC6414 |
0.7019 | Intermediate Similarity | NPC154452 |
0.7009 | Intermediate Similarity | NPC295980 |
0.7 | Intermediate Similarity | NPC287075 |
0.699 | Remote Similarity | NPC130792 |
0.699 | Remote Similarity | NPC91497 |
0.699 | Remote Similarity | NPC473146 |
0.6989 | Remote Similarity | NPC216941 |
0.6981 | Remote Similarity | NPC165405 |
0.6981 | Remote Similarity | NPC473199 |
0.6975 | Remote Similarity | NPC276047 |
0.6975 | Remote Similarity | NPC267733 |
0.697 | Remote Similarity | NPC472197 |
0.697 | Remote Similarity | NPC472199 |
0.697 | Remote Similarity | NPC477749 |
0.6961 | Remote Similarity | NPC91197 |
0.6961 | Remote Similarity | NPC96597 |
0.6961 | Remote Similarity | NPC155319 |
0.6961 | Remote Similarity | NPC125551 |
0.6961 | Remote Similarity | NPC347923 |
0.6961 | Remote Similarity | NPC239547 |
0.6961 | Remote Similarity | NPC153559 |
0.6961 | Remote Similarity | NPC309503 |
0.6961 | Remote Similarity | NPC476057 |
0.6961 | Remote Similarity | NPC182811 |
0.6952 | Remote Similarity | NPC197736 |
0.6952 | Remote Similarity | NPC471467 |
0.6949 | Remote Similarity | NPC145287 |
0.6947 | Remote Similarity | NPC475035 |
0.6947 | Remote Similarity | NPC266718 |
0.6939 | Remote Similarity | NPC104129 |
0.6939 | Remote Similarity | NPC249408 |
0.6931 | Remote Similarity | NPC240838 |
0.6923 | Remote Similarity | NPC21064 |
0.6923 | Remote Similarity | NPC121072 |
0.6923 | Remote Similarity | NPC198992 |
0.6923 | Remote Similarity | NPC280991 |
0.6923 | Remote Similarity | NPC144486 |
0.6923 | Remote Similarity | NPC179261 |
0.6915 | Remote Similarity | NPC475849 |
0.6915 | Remote Similarity | NPC20072 |
0.6907 | Remote Similarity | NPC475037 |
0.69 | Remote Similarity | NPC238090 |
0.69 | Remote Similarity | NPC472196 |
0.69 | Remote Similarity | NPC472195 |
0.6893 | Remote Similarity | NPC90819 |
0.6893 | Remote Similarity | NPC249171 |
0.6893 | Remote Similarity | NPC79449 |
0.6893 | Remote Similarity | NPC469725 |
0.6893 | Remote Similarity | NPC473307 |
0.6893 | Remote Similarity | NPC474957 |
0.6893 | Remote Similarity | NPC124181 |
0.6893 | Remote Similarity | NPC49833 |
0.6882 | Remote Similarity | NPC100697 |
0.6881 | Remote Similarity | NPC106760 |
0.6875 | Remote Similarity | NPC5311 |
0.6875 | Remote Similarity | NPC99620 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC93190 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 |
---|---|---|---|
0.7168 | Intermediate Similarity | NPD7503 | Approved |
0.7158 | Intermediate Similarity | NPD4249 | Approved |
0.7083 | Intermediate Similarity | NPD4251 | Approved |
0.7083 | Intermediate Similarity | NPD4250 | Approved |
0.6754 | Remote Similarity | NPD7327 | Approved |
0.6754 | Remote Similarity | NPD7328 | Approved |
0.6724 | Remote Similarity | NPD8033 | Approved |
0.6702 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6696 | Remote Similarity | NPD7516 | Approved |
0.6638 | Remote Similarity | NPD8377 | Approved |
0.6638 | Remote Similarity | NPD8294 | Approved |
0.6581 | Remote Similarity | NPD8296 | Approved |
0.6581 | Remote Similarity | NPD8335 | Approved |
0.6581 | Remote Similarity | NPD8380 | Approved |
0.6581 | Remote Similarity | NPD8379 | Approved |
0.6581 | Remote Similarity | NPD8378 | Approved |
0.6549 | Remote Similarity | NPD8133 | Approved |
0.6526 | Remote Similarity | NPD4822 | Approved |
0.6526 | Remote Similarity | NPD4819 | Approved |
0.6526 | Remote Similarity | NPD4821 | Approved |
0.6526 | Remote Similarity | NPD4820 | Approved |
0.6489 | Remote Similarity | NPD4268 | Approved |
0.6489 | Remote Similarity | NPD4271 | Approved |
0.6455 | Remote Similarity | NPD6412 | Phase 2 |
0.6415 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6396 | Remote Similarity | NPD6686 | Approved |
0.6372 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD7507 | Approved |
0.6303 | Remote Similarity | NPD8513 | Phase 3 |
0.6224 | Remote Similarity | NPD6435 | Approved |
0.621 | Remote Similarity | NPD7319 | Approved |
0.6174 | Remote Similarity | NPD6053 | Discontinued |
0.6167 | Remote Similarity | NPD8516 | Approved |
0.6167 | Remote Similarity | NPD8517 | Approved |
0.6167 | Remote Similarity | NPD8515 | Approved |
0.6162 | Remote Similarity | NPD7154 | Phase 3 |
0.6095 | Remote Similarity | NPD8171 | Discontinued |
0.6078 | Remote Similarity | NPD7524 | Approved |
0.6058 | Remote Similarity | NPD6698 | Approved |
0.6058 | Remote Similarity | NPD46 | Approved |
0.602 | Remote Similarity | NPD5368 | Approved |
0.6 | Remote Similarity | NPD5362 | Discontinued |
0.6 | Remote Similarity | NPD7637 | Suspended |
0.6 | Remote Similarity | NPD7983 | Approved |
0.5982 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5982 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5941 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5914 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5905 | Remote Similarity | NPD7838 | Discovery |
0.5882 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD7736 | Approved |
0.5856 | Remote Similarity | NPD5344 | Discontinued |
0.5854 | Remote Similarity | NPD6370 | Approved |
0.5842 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5842 | Remote Similarity | NPD3669 | Approved |
0.5842 | Remote Similarity | NPD5331 | Approved |
0.5842 | Remote Similarity | NPD5332 | Approved |
0.5842 | Remote Similarity | NPD6695 | Phase 3 |
0.5841 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD6009 | Approved |
0.5833 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.582 | Remote Similarity | NPD6319 | Approved |
0.58 | Remote Similarity | NPD4790 | Discontinued |
0.58 | Remote Similarity | NPD5369 | Approved |
0.5794 | Remote Similarity | NPD8293 | Discontinued |
0.5784 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5776 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD6882 | Approved |
0.576 | Remote Similarity | NPD8342 | Approved |
0.576 | Remote Similarity | NPD8341 | Approved |
0.576 | Remote Similarity | NPD8340 | Approved |
0.576 | Remote Similarity | NPD8299 | Approved |
0.576 | Remote Similarity | NPD7492 | Approved |
0.5755 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.5743 | Remote Similarity | NPD4270 | Approved |
0.5743 | Remote Similarity | NPD4269 | Approved |
0.5739 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD6371 | Approved |
0.5714 | Remote Similarity | NPD893 | Approved |
0.5714 | Remote Similarity | NPD889 | Approved |
0.5714 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD892 | Phase 3 |
0.5714 | Remote Similarity | NPD894 | Approved |
0.5714 | Remote Similarity | NPD6616 | Approved |
0.5714 | Remote Similarity | NPD891 | Phase 3 |
0.5714 | Remote Similarity | NPD4632 | Approved |
0.5714 | Remote Similarity | NPD888 | Phase 3 |
0.5714 | Remote Similarity | NPD895 | Approved |
0.5714 | Remote Similarity | NPD887 | Approved |
0.57 | Remote Similarity | NPD4252 | Approved |
0.5698 | Remote Similarity | NPD2267 | Suspended |
0.5691 | Remote Similarity | NPD6054 | Approved |
0.569 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5673 | Remote Similarity | NPD5786 | Approved |
0.5669 | Remote Similarity | NPD7078 | Approved |
0.5669 | Remote Similarity | NPD8074 | Phase 3 |
0.5663 | Remote Similarity | NPD905 | Approved |
0.5663 | Remote Similarity | NPD904 | Phase 3 |
0.5657 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5645 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5645 | Remote Similarity | NPD6015 | Approved |
0.5645 | Remote Similarity | NPD6016 | Approved |
0.5636 | Remote Similarity | NPD7839 | Suspended |
0.563 | Remote Similarity | NPD8297 | Approved |
0.5625 | Remote Similarity | NPD7640 | Approved |
0.5625 | Remote Similarity | NPD7639 | Approved |
0.5619 | Remote Similarity | NPD7750 | Discontinued |
0.5614 | Remote Similarity | NPD1407 | Approved |
0.56 | Remote Similarity | NPD8080 | Discontinued |
0.56 | Remote Similarity | NPD5988 | Approved |
PubChem CID   | 44584096 |
ChEMBL   | CHEMBL518538 |
ZINC   |
Molecular Weight:   | 390.15 |
ALogP:   | -2.749 |
MLogP:   | 2.23 |
XLogP:   | -0.74 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 155.14 |
# H-Bond Aceptor:   | 10 |
# H-Bond Donor:   | 5 |
# Rings:   | 3 |
# Heavy Atoms:   | 27 |