Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO10000 | Rehmanniae radix praeparata | NA | NA | NA | TCMSP* | |||
NPO8101 | Rehmannia glutinosa | Species | Orobanchaceae | Eukaryota | TM-MC* | |||
NPO8101 | Rehmannia glutinosa | Species | Orobanchaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT179 | Cell Line | A2780 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | 26859776 | |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
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 NPC276298 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 |
---|---|---|
0.9535 | High Similarity | NPC22918 |
0.9529 | High Similarity | NPC258501 |
0.9419 | High Similarity | NPC148534 |
0.8953 | High Similarity | NPC98276 |
0.8953 | High Similarity | NPC259296 |
0.8817 | High Similarity | NPC470684 |
0.8817 | High Similarity | NPC470683 |
0.875 | High Similarity | NPC149018 |
0.875 | High Similarity | NPC171484 |
0.8667 | High Similarity | NPC50464 |
0.8478 | Intermediate Similarity | NPC473150 |
0.8478 | Intermediate Similarity | NPC294643 |
0.8478 | Intermediate Similarity | NPC274274 |
0.8261 | Intermediate Similarity | NPC93190 |
0.8 | Intermediate Similarity | NPC280390 |
0.7677 | Intermediate Similarity | NPC86843 |
0.7653 | Intermediate Similarity | NPC6765 |
0.7653 | Intermediate Similarity | NPC93869 |
0.7647 | Intermediate Similarity | NPC329834 |
0.7614 | Intermediate Similarity | NPC279575 |
0.7576 | Intermediate Similarity | NPC284063 |
0.7556 | Intermediate Similarity | NPC170595 |
0.7551 | Intermediate Similarity | NPC274588 |
0.7547 | Intermediate Similarity | NPC193741 |
0.7527 | Intermediate Similarity | NPC220167 |
0.7527 | Intermediate Similarity | NPC136699 |
0.7526 | Intermediate Similarity | NPC235051 |
0.75 | Intermediate Similarity | NPC474569 |
0.75 | Intermediate Similarity | NPC76486 |
0.7451 | Intermediate Similarity | NPC476228 |
0.7451 | Intermediate Similarity | NPC216911 |
0.7407 | Intermediate Similarity | NPC475851 |
0.7407 | Intermediate Similarity | NPC475924 |
0.74 | Intermediate Similarity | NPC170527 |
0.7353 | Intermediate Similarity | NPC476211 |
0.7353 | Intermediate Similarity | NPC476320 |
0.7353 | Intermediate Similarity | NPC91497 |
0.7347 | Intermediate Similarity | NPC66504 |
0.7333 | Intermediate Similarity | NPC127235 |
0.7312 | Intermediate Similarity | NPC20072 |
0.729 | Intermediate Similarity | NPC42482 |
0.729 | Intermediate Similarity | NPC40440 |
0.7282 | Intermediate Similarity | NPC476230 |
0.7282 | Intermediate Similarity | NPC27474 |
0.7273 | Intermediate Similarity | NPC470659 |
0.7273 | Intermediate Similarity | NPC470660 |
0.7264 | Intermediate Similarity | NPC148270 |
0.7264 | Intermediate Similarity | NPC80338 |
0.7264 | Intermediate Similarity | NPC197813 |
0.7248 | Intermediate Similarity | NPC19888 |
0.7238 | Intermediate Similarity | NPC312774 |
0.7238 | Intermediate Similarity | NPC475521 |
0.7216 | Intermediate Similarity | NPC248312 |
0.7212 | Intermediate Similarity | NPC272015 |
0.7196 | Intermediate Similarity | NPC7213 |
0.7184 | Intermediate Similarity | NPC244878 |
0.7172 | Intermediate Similarity | NPC48463 |
0.717 | Intermediate Similarity | NPC473923 |
0.717 | Intermediate Similarity | NPC26798 |
0.717 | Intermediate Similarity | NPC473476 |
0.717 | Intermediate Similarity | NPC181845 |
0.717 | Intermediate Similarity | NPC242748 |
0.717 | Intermediate Similarity | NPC170432 |
0.7168 | Intermediate Similarity | NPC219656 |
0.7156 | Intermediate Similarity | NPC477032 |
0.7156 | Intermediate Similarity | NPC197231 |
0.7156 | Intermediate Similarity | NPC124677 |
0.7156 | Intermediate Similarity | NPC477028 |
0.7143 | Intermediate Similarity | NPC329704 |
0.7143 | Intermediate Similarity | NPC37240 |
0.7143 | Intermediate Similarity | NPC475928 |
0.7115 | Intermediate Similarity | NPC20673 |
0.7115 | Intermediate Similarity | NPC287539 |
0.7115 | Intermediate Similarity | NPC31346 |
0.7115 | Intermediate Similarity | NPC470168 |
0.7115 | Intermediate Similarity | NPC3488 |
0.7103 | Intermediate Similarity | NPC113044 |
0.7103 | Intermediate Similarity | NPC94272 |
0.7103 | Intermediate Similarity | NPC14704 |
0.7103 | Intermediate Similarity | NPC161676 |
0.7103 | Intermediate Similarity | NPC473469 |
0.7103 | Intermediate Similarity | NPC283829 |
0.7103 | Intermediate Similarity | NPC226642 |
0.7103 | Intermediate Similarity | NPC230507 |
0.7103 | Intermediate Similarity | NPC470432 |
0.7103 | Intermediate Similarity | NPC305423 |
0.7091 | Intermediate Similarity | NPC308140 |
0.7091 | Intermediate Similarity | NPC254255 |
0.7087 | Intermediate Similarity | NPC151093 |
0.7087 | Intermediate Similarity | NPC158088 |
0.7087 | Intermediate Similarity | NPC157739 |
0.708 | Intermediate Similarity | NPC472080 |
0.7079 | Intermediate Similarity | NPC248427 |
0.7075 | Intermediate Similarity | NPC470885 |
0.7075 | Intermediate Similarity | NPC187400 |
0.7075 | Intermediate Similarity | NPC475365 |
0.7075 | Intermediate Similarity | NPC474464 |
0.7075 | Intermediate Similarity | NPC221562 |
0.7071 | Intermediate Similarity | NPC307699 |
0.7069 | Intermediate Similarity | NPC219804 |
0.7059 | Intermediate Similarity | NPC161293 |
0.7059 | Intermediate Similarity | NPC207617 |
0.7059 | Intermediate Similarity | NPC472989 |
0.7048 | Intermediate Similarity | NPC177013 |
0.7048 | Intermediate Similarity | NPC35185 |
0.7048 | Intermediate Similarity | NPC474730 |
0.7048 | Intermediate Similarity | NPC4899 |
0.7048 | Intermediate Similarity | NPC136816 |
0.7048 | Intermediate Similarity | NPC304163 |
0.7043 | Intermediate Similarity | NPC233500 |
0.7037 | Intermediate Similarity | NPC98696 |
0.7037 | Intermediate Similarity | NPC476538 |
0.7037 | Intermediate Similarity | NPC476540 |
0.7037 | Intermediate Similarity | NPC476539 |
0.7037 | Intermediate Similarity | NPC472897 |
0.7037 | Intermediate Similarity | NPC472896 |
0.7037 | Intermediate Similarity | NPC476541 |
0.7037 | Intermediate Similarity | NPC295980 |
0.7037 | Intermediate Similarity | NPC110701 |
0.7037 | Intermediate Similarity | NPC475634 |
0.7037 | Intermediate Similarity | NPC235824 |
0.703 | Intermediate Similarity | NPC63897 |
0.7027 | Intermediate Similarity | NPC476546 |
0.7027 | Intermediate Similarity | NPC287075 |
0.7019 | Intermediate Similarity | NPC471247 |
0.7009 | Intermediate Similarity | NPC309448 |
0.7009 | Intermediate Similarity | NPC474015 |
0.7 | Intermediate Similarity | NPC472987 |
0.7 | Intermediate Similarity | NPC470748 |
0.7 | Intermediate Similarity | NPC472125 |
0.7 | Intermediate Similarity | NPC473021 |
0.7 | Intermediate Similarity | NPC472126 |
0.7 | Intermediate Similarity | NPC13193 |
0.7 | Intermediate Similarity | NPC472124 |
0.699 | Remote Similarity | NPC278939 |
0.699 | Remote Similarity | NPC473555 |
0.699 | Remote Similarity | NPC471770 |
0.699 | Remote Similarity | NPC473890 |
0.699 | Remote Similarity | NPC263674 |
0.699 | Remote Similarity | NPC58267 |
0.699 | Remote Similarity | NPC261372 |
0.699 | Remote Similarity | NPC243728 |
0.6983 | Remote Similarity | NPC196130 |
0.6981 | Remote Similarity | NPC31907 |
0.6981 | Remote Similarity | NPC286969 |
0.6981 | Remote Similarity | NPC16520 |
0.6981 | Remote Similarity | NPC120123 |
0.6981 | Remote Similarity | NPC472252 |
0.6981 | Remote Similarity | NPC189852 |
0.6981 | Remote Similarity | NPC131479 |
0.6981 | Remote Similarity | NPC473020 |
0.6981 | Remote Similarity | NPC475701 |
0.6981 | Remote Similarity | NPC157659 |
0.6981 | Remote Similarity | NPC155010 |
0.6981 | Remote Similarity | NPC8039 |
0.6981 | Remote Similarity | NPC245280 |
0.6981 | Remote Similarity | NPC211879 |
0.6981 | Remote Similarity | NPC114874 |
0.6972 | Remote Similarity | NPC244086 |
0.6972 | Remote Similarity | NPC218571 |
0.6972 | Remote Similarity | NPC208383 |
0.6972 | Remote Similarity | NPC22779 |
0.6972 | Remote Similarity | NPC475333 |
0.6972 | Remote Similarity | NPC249265 |
0.6972 | Remote Similarity | NPC84956 |
0.6972 | Remote Similarity | NPC102016 |
0.6972 | Remote Similarity | NPC472901 |
0.6972 | Remote Similarity | NPC477809 |
0.6972 | Remote Similarity | NPC477027 |
0.6972 | Remote Similarity | NPC248746 |
0.6972 | Remote Similarity | NPC150372 |
0.6972 | Remote Similarity | NPC224098 |
0.6972 | Remote Similarity | NPC70204 |
0.6972 | Remote Similarity | NPC309278 |
0.6972 | Remote Similarity | NPC475550 |
0.6972 | Remote Similarity | NPC46190 |
0.6972 | Remote Similarity | NPC95051 |
0.6972 | Remote Similarity | NPC73243 |
0.6972 | Remote Similarity | NPC232054 |
0.6972 | Remote Similarity | NPC470433 |
0.6972 | Remote Similarity | NPC476835 |
0.6972 | Remote Similarity | NPC300557 |
0.6972 | Remote Similarity | NPC474573 |
0.6972 | Remote Similarity | NPC306131 |
0.6972 | Remote Similarity | NPC171073 |
0.6972 | Remote Similarity | NPC6806 |
0.6972 | Remote Similarity | NPC194207 |
0.6972 | Remote Similarity | NPC475670 |
0.6972 | Remote Similarity | NPC477026 |
0.697 | Remote Similarity | NPC104129 |
0.697 | Remote Similarity | NPC249408 |
0.697 | Remote Similarity | NPC299527 |
0.6964 | Remote Similarity | NPC477810 |
0.6964 | Remote Similarity | NPC32707 |
0.6964 | Remote Similarity | NPC167183 |
0.6964 | Remote Similarity | NPC208832 |
0.6961 | Remote Similarity | NPC101051 |
0.6952 | Remote Similarity | NPC88000 |
0.6952 | Remote Similarity | NPC129372 |
0.6952 | Remote Similarity | NPC4637 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC276298 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 |
---|---|---|---|
0.6752 | Remote Similarity | NPD7503 | Approved |
0.661 | Remote Similarity | NPD8033 | Approved |
0.6486 | Remote Similarity | NPD6412 | Phase 2 |
0.6442 | Remote Similarity | NPD8171 | Discontinued |
0.6387 | Remote Similarity | NPD8294 | Approved |
0.6387 | Remote Similarity | NPD8377 | Approved |
0.6356 | Remote Similarity | NPD7328 | Approved |
0.6356 | Remote Similarity | NPD7327 | Approved |
0.6333 | Remote Similarity | NPD8380 | Approved |
0.6333 | Remote Similarity | NPD8335 | Approved |
0.6333 | Remote Similarity | NPD8296 | Approved |
0.6333 | Remote Similarity | NPD8379 | Approved |
0.6333 | Remote Similarity | NPD8378 | Approved |
0.6303 | Remote Similarity | NPD7516 | Approved |
0.6293 | Remote Similarity | NPD8133 | Approved |
0.6275 | Remote Similarity | NPD4251 | Approved |
0.6275 | Remote Similarity | NPD4250 | Approved |
0.6176 | Remote Similarity | NPD4249 | Approved |
0.6121 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6117 | Remote Similarity | NPD7524 | Approved |
0.6016 | Remote Similarity | NPD6370 | Approved |
0.6 | Remote Similarity | NPD7507 | Approved |
0.6 | Remote Similarity | NPD6686 | Approved |
0.598 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5935 | Remote Similarity | NPD8513 | Phase 3 |
0.5932 | Remote Similarity | NPD6053 | Discontinued |
0.59 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD6695 | Phase 3 |
0.5877 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD7319 | Approved |
0.5856 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD6054 | Approved |
0.5846 | Remote Similarity | NPD8449 | Approved |
0.5843 | Remote Similarity | NPD6123 | Approved |
0.5806 | Remote Similarity | NPD8517 | Approved |
0.5806 | Remote Similarity | NPD8516 | Approved |
0.5806 | Remote Similarity | NPD8515 | Approved |
0.5802 | Remote Similarity | NPD8450 | Suspended |
0.5794 | Remote Similarity | NPD7838 | Discovery |
0.5794 | Remote Similarity | NPD6698 | Approved |
0.5794 | Remote Similarity | NPD46 | Approved |
0.5781 | Remote Similarity | NPD7736 | Approved |
0.5773 | Remote Similarity | NPD1810 | Approved |
0.5773 | Remote Similarity | NPD1811 | Approved |
0.5765 | Remote Similarity | NPD892 | Phase 3 |
0.5765 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD893 | Approved |
0.5765 | Remote Similarity | NPD888 | Phase 3 |
0.5765 | Remote Similarity | NPD891 | Phase 3 |
0.5743 | Remote Similarity | NPD4821 | Approved |
0.5743 | Remote Similarity | NPD4820 | Approved |
0.5743 | Remote Similarity | NPD4819 | Approved |
0.5743 | Remote Similarity | NPD4822 | Approved |
0.5743 | Remote Similarity | NPD6928 | Phase 2 |
0.5726 | Remote Similarity | NPD6059 | Approved |
0.5703 | Remote Similarity | NPD8293 | Discontinued |
0.57 | Remote Similarity | NPD4268 | Approved |
0.57 | Remote Similarity | NPD4271 | Approved |
0.568 | Remote Similarity | NPD6015 | Approved |
0.568 | Remote Similarity | NPD6016 | Approved |
0.5669 | Remote Similarity | NPD7492 | Approved |
0.566 | Remote Similarity | NPD7750 | Discontinued |
0.5657 | Remote Similarity | NPD6933 | Approved |
0.5648 | Remote Similarity | NPD3168 | Discontinued |
0.5647 | Remote Similarity | NPD2269 | Approved |
0.5635 | Remote Similarity | NPD5988 | Approved |
0.5631 | Remote Similarity | NPD6435 | Approved |
0.5625 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD6616 | Approved |
0.5614 | Remote Similarity | NPD5344 | Discontinued |
0.561 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6319 | Approved |
0.56 | Remote Similarity | NPD6932 | Approved |
PubChem CID   | 6325881 |
ChEMBL   | CHEMBL3810015 |
ZINC   |
Molecular Weight:   | 524.17 |
ALogP:   | -6.0902 |
MLogP:   | 2.12 |
XLogP:   | -4.244 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 240.75 |
# H-Bond Aceptor:   | 15 |
# H-Bond Donor:   | 9 |
# Rings:   | 5 |
# Heavy Atoms:   | 36 |