Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
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 NPC148534 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 |
---|---|---|
0.988 | High Similarity | NPC22918 |
0.9878 | High Similarity | NPC258501 |
0.9512 | High Similarity | NPC259296 |
0.9512 | High Similarity | NPC98276 |
0.9419 | High Similarity | NPC276298 |
0.9286 | High Similarity | NPC149018 |
0.9286 | High Similarity | NPC171484 |
0.8966 | High Similarity | NPC50464 |
0.8764 | High Similarity | NPC274274 |
0.8764 | High Similarity | NPC473150 |
0.8764 | High Similarity | NPC294643 |
0.8539 | High Similarity | NPC93190 |
0.8495 | Intermediate Similarity | NPC470684 |
0.8495 | Intermediate Similarity | NPC470683 |
0.7812 | Intermediate Similarity | NPC284063 |
0.7778 | Intermediate Similarity | NPC220167 |
0.7778 | Intermediate Similarity | NPC136699 |
0.7767 | Intermediate Similarity | NPC193741 |
0.7732 | Intermediate Similarity | NPC86843 |
0.7708 | Intermediate Similarity | NPC6765 |
0.7708 | Intermediate Similarity | NPC93869 |
0.77 | Intermediate Similarity | NPC329834 |
0.7674 | Intermediate Similarity | NPC279575 |
0.7619 | Intermediate Similarity | NPC475924 |
0.7619 | Intermediate Similarity | NPC475851 |
0.7614 | Intermediate Similarity | NPC170595 |
0.7604 | Intermediate Similarity | NPC274588 |
0.7579 | Intermediate Similarity | NPC235051 |
0.7549 | Intermediate Similarity | NPC127235 |
0.7529 | Intermediate Similarity | NPC470660 |
0.7529 | Intermediate Similarity | NPC470659 |
0.75 | Intermediate Similarity | NPC216911 |
0.75 | Intermediate Similarity | NPC476228 |
0.75 | Intermediate Similarity | NPC280390 |
0.7476 | Intermediate Similarity | NPC148270 |
0.7476 | Intermediate Similarity | NPC197813 |
0.7476 | Intermediate Similarity | NPC80338 |
0.7449 | Intermediate Similarity | NPC170527 |
0.74 | Intermediate Similarity | NPC476320 |
0.74 | Intermediate Similarity | NPC476211 |
0.7396 | Intermediate Similarity | NPC66504 |
0.7379 | Intermediate Similarity | NPC170432 |
0.7368 | Intermediate Similarity | NPC299527 |
0.7353 | Intermediate Similarity | NPC475928 |
0.7353 | Intermediate Similarity | NPC37240 |
0.7327 | Intermediate Similarity | NPC27474 |
0.7327 | Intermediate Similarity | NPC287539 |
0.7327 | Intermediate Similarity | NPC3488 |
0.7327 | Intermediate Similarity | NPC476230 |
0.7326 | Intermediate Similarity | NPC248427 |
0.7255 | Intermediate Similarity | NPC4899 |
0.7255 | Intermediate Similarity | NPC304163 |
0.7255 | Intermediate Similarity | NPC474730 |
0.7255 | Intermediate Similarity | NPC177013 |
0.7255 | Intermediate Similarity | NPC35185 |
0.7245 | Intermediate Similarity | NPC63897 |
0.7238 | Intermediate Similarity | NPC110701 |
0.7228 | Intermediate Similarity | NPC244878 |
0.7212 | Intermediate Similarity | NPC474569 |
0.72 | Intermediate Similarity | NPC76486 |
0.7184 | Intermediate Similarity | NPC329704 |
0.7157 | Intermediate Similarity | NPC20673 |
0.7129 | Intermediate Similarity | NPC37866 |
0.7129 | Intermediate Similarity | NPC151093 |
0.7128 | Intermediate Similarity | NPC470658 |
0.7115 | Intermediate Similarity | NPC312774 |
0.71 | Intermediate Similarity | NPC161293 |
0.7097 | Intermediate Similarity | NPC260852 |
0.7064 | Intermediate Similarity | NPC287075 |
0.7059 | Intermediate Similarity | NPC91497 |
0.7054 | Intermediate Similarity | NPC219656 |
0.7048 | Intermediate Similarity | NPC26798 |
0.7041 | Intermediate Similarity | NPC48463 |
0.703 | Intermediate Similarity | NPC261372 |
0.703 | Intermediate Similarity | NPC263674 |
0.703 | Intermediate Similarity | NPC58267 |
0.701 | Intermediate Similarity | NPC104129 |
0.701 | Intermediate Similarity | NPC249408 |
0.7009 | Intermediate Similarity | NPC40440 |
0.7009 | Intermediate Similarity | NPC42482 |
0.7 | Intermediate Similarity | NPC291709 |
0.7 | Intermediate Similarity | NPC241407 |
0.699 | Remote Similarity | NPC31346 |
0.699 | Remote Similarity | NPC219038 |
0.699 | Remote Similarity | NPC98859 |
0.699 | Remote Similarity | NPC4637 |
0.6989 | Remote Similarity | NPC20072 |
0.6981 | Remote Similarity | NPC226642 |
0.6972 | Remote Similarity | NPC19888 |
0.6964 | Remote Similarity | NPC472080 |
0.6961 | Remote Similarity | NPC158088 |
0.6961 | Remote Similarity | NPC223700 |
0.6961 | Remote Similarity | NPC96399 |
0.6961 | Remote Similarity | NPC469918 |
0.6961 | Remote Similarity | NPC469919 |
0.6961 | Remote Similarity | NPC157739 |
0.6961 | Remote Similarity | NPC117066 |
0.6957 | Remote Similarity | NPC100697 |
0.6952 | Remote Similarity | NPC475521 |
0.6952 | Remote Similarity | NPC474464 |
0.6952 | Remote Similarity | NPC475365 |
0.6939 | Remote Similarity | NPC197107 |
0.6939 | Remote Similarity | NPC117596 |
0.6931 | Remote Similarity | NPC472989 |
0.6931 | Remote Similarity | NPC207617 |
0.693 | Remote Similarity | NPC233500 |
0.6923 | Remote Similarity | NPC106668 |
0.6923 | Remote Similarity | NPC136816 |
0.6923 | Remote Similarity | NPC272015 |
0.6923 | Remote Similarity | NPC471599 |
0.6916 | Remote Similarity | NPC7213 |
0.6907 | Remote Similarity | NPC248312 |
0.6893 | Remote Similarity | NPC471247 |
0.6887 | Remote Similarity | NPC181845 |
0.6887 | Remote Similarity | NPC242748 |
0.6887 | Remote Similarity | NPC474015 |
0.6887 | Remote Similarity | NPC473923 |
0.6887 | Remote Similarity | NPC473476 |
0.6881 | Remote Similarity | NPC477032 |
0.6881 | Remote Similarity | NPC477028 |
0.6881 | Remote Similarity | NPC124677 |
0.6881 | Remote Similarity | NPC197231 |
0.687 | Remote Similarity | NPC196130 |
0.6869 | Remote Similarity | NPC472124 |
0.6869 | Remote Similarity | NPC472126 |
0.6869 | Remote Similarity | NPC472125 |
0.6863 | Remote Similarity | NPC153559 |
0.6863 | Remote Similarity | NPC278939 |
0.6863 | Remote Similarity | NPC471770 |
0.6863 | Remote Similarity | NPC347923 |
0.6863 | Remote Similarity | NPC473890 |
0.6863 | Remote Similarity | NPC476057 |
0.6863 | Remote Similarity | NPC473555 |
0.6863 | Remote Similarity | NPC472290 |
0.6863 | Remote Similarity | NPC243728 |
0.6857 | Remote Similarity | NPC27687 |
0.6857 | Remote Similarity | NPC475701 |
0.6852 | Remote Similarity | NPC472901 |
0.6852 | Remote Similarity | NPC208307 |
0.6842 | Remote Similarity | NPC116613 |
0.6842 | Remote Similarity | NPC474156 |
0.6832 | Remote Similarity | NPC240838 |
0.6827 | Remote Similarity | NPC47566 |
0.6827 | Remote Similarity | NPC4831 |
0.6827 | Remote Similarity | NPC267510 |
0.6827 | Remote Similarity | NPC129372 |
0.6827 | Remote Similarity | NPC88000 |
0.6827 | Remote Similarity | NPC160734 |
0.6827 | Remote Similarity | NPC309425 |
0.6827 | Remote Similarity | NPC472023 |
0.6827 | Remote Similarity | NPC470168 |
0.6822 | Remote Similarity | NPC230507 |
0.6822 | Remote Similarity | NPC14704 |
0.6822 | Remote Similarity | NPC305423 |
0.6822 | Remote Similarity | NPC33053 |
0.6822 | Remote Similarity | NPC94272 |
0.6822 | Remote Similarity | NPC283829 |
0.6822 | Remote Similarity | NPC161676 |
0.6822 | Remote Similarity | NPC470432 |
0.6822 | Remote Similarity | NPC473469 |
0.6822 | Remote Similarity | NPC113044 |
0.6818 | Remote Similarity | NPC254255 |
0.6818 | Remote Similarity | NPC473567 |
0.6818 | Remote Similarity | NPC216595 |
0.6818 | Remote Similarity | NPC308140 |
0.6813 | Remote Similarity | NPC188793 |
0.681 | Remote Similarity | NPC219804 |
0.6804 | Remote Similarity | NPC31349 |
0.68 | Remote Similarity | NPC470187 |
0.68 | Remote Similarity | NPC61201 |
0.6796 | Remote Similarity | NPC474957 |
0.6796 | Remote Similarity | NPC79449 |
0.6796 | Remote Similarity | NPC473307 |
0.6796 | Remote Similarity | NPC90819 |
0.6796 | Remote Similarity | NPC124181 |
0.6796 | Remote Similarity | NPC312325 |
0.6796 | Remote Similarity | NPC274458 |
0.6792 | Remote Similarity | NPC471111 |
0.6792 | Remote Similarity | NPC470885 |
0.6792 | Remote Similarity | NPC187400 |
0.6792 | Remote Similarity | NPC221562 |
0.6768 | Remote Similarity | NPC307699 |
0.6765 | Remote Similarity | NPC474297 |
0.6765 | Remote Similarity | NPC241911 |
0.6762 | Remote Similarity | NPC13171 |
0.6762 | Remote Similarity | NPC195510 |
0.6762 | Remote Similarity | NPC214714 |
0.6762 | Remote Similarity | NPC200672 |
0.6762 | Remote Similarity | NPC154452 |
0.6759 | Remote Similarity | NPC295980 |
0.6759 | Remote Similarity | NPC472897 |
0.6759 | Remote Similarity | NPC475634 |
0.6759 | Remote Similarity | NPC472896 |
0.6759 | Remote Similarity | NPC98696 |
0.6759 | Remote Similarity | NPC476541 |
0.6759 | Remote Similarity | NPC476539 |
0.6759 | Remote Similarity | NPC476538 |
0.6759 | Remote Similarity | NPC235824 |
0.6759 | Remote Similarity | NPC476540 |
0.6757 | Remote Similarity | NPC476546 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC148534 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 |
---|---|---|---|
0.6638 | Remote Similarity | NPD7503 | Approved |
0.6364 | Remote Similarity | NPD6412 | Phase 2 |
0.6364 | Remote Similarity | NPD4249 | Approved |
0.6356 | Remote Similarity | NPD8033 | Approved |
0.63 | Remote Similarity | NPD4251 | Approved |
0.63 | Remote Similarity | NPD4250 | Approved |
0.6239 | Remote Similarity | NPD7327 | Approved |
0.6239 | Remote Similarity | NPD7328 | Approved |
0.6186 | Remote Similarity | NPD7516 | Approved |
0.6154 | Remote Similarity | NPD8171 | Discontinued |
0.6139 | Remote Similarity | NPD7524 | Approved |
0.6134 | Remote Similarity | NPD8377 | Approved |
0.6134 | Remote Similarity | NPD8294 | Approved |
0.6083 | Remote Similarity | NPD8379 | Approved |
0.6083 | Remote Similarity | NPD8335 | Approved |
0.6083 | Remote Similarity | NPD8380 | Approved |
0.6083 | Remote Similarity | NPD8378 | Approved |
0.6083 | Remote Similarity | NPD8296 | Approved |
0.6034 | Remote Similarity | NPD8133 | Approved |
0.6 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5902 | Remote Similarity | NPD6370 | Approved |
0.59 | Remote Similarity | NPD6695 | Phase 3 |
0.5887 | Remote Similarity | NPD7507 | Approved |
0.5877 | Remote Similarity | NPD6686 | Approved |
0.5862 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD6053 | Discontinued |
0.581 | Remote Similarity | NPD46 | Approved |
0.581 | Remote Similarity | NPD7838 | Discovery |
0.581 | Remote Similarity | NPD3168 | Discontinued |
0.581 | Remote Similarity | NPD6698 | Approved |
0.5789 | Remote Similarity | NPD1811 | Approved |
0.5789 | Remote Similarity | NPD1810 | Approved |
0.5783 | Remote Similarity | NPD891 | Phase 3 |
0.5783 | Remote Similarity | NPD895 | Approved |
0.5783 | Remote Similarity | NPD894 | Approved |
0.5783 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.5783 | Remote Similarity | NPD893 | Approved |
0.5783 | Remote Similarity | NPD889 | Approved |
0.5783 | Remote Similarity | NPD887 | Approved |
0.5783 | Remote Similarity | NPD888 | Phase 3 |
0.5783 | Remote Similarity | NPD892 | Phase 3 |
0.5758 | Remote Similarity | NPD4819 | Approved |
0.5758 | Remote Similarity | NPD4822 | Approved |
0.5758 | Remote Similarity | NPD4821 | Approved |
0.5758 | Remote Similarity | NPD4820 | Approved |
0.5748 | Remote Similarity | NPD7319 | Approved |
0.5738 | Remote Similarity | NPD6054 | Approved |
0.5732 | Remote Similarity | NPD904 | Phase 3 |
0.5732 | Remote Similarity | NPD905 | Approved |
0.5727 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD4268 | Approved |
0.5714 | Remote Similarity | NPD4271 | Approved |
0.5691 | Remote Similarity | NPD6015 | Approved |
0.5691 | Remote Similarity | NPD8513 | Phase 3 |
0.5691 | Remote Similarity | NPD6016 | Approved |
0.5673 | Remote Similarity | NPD7750 | Discontinued |
0.567 | Remote Similarity | NPD6933 | Approved |
0.5669 | Remote Similarity | NPD7736 | Approved |
0.5645 | Remote Similarity | NPD5988 | Approved |
0.5644 | Remote Similarity | NPD6435 | Approved |
0.5638 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD5344 | Discontinued |
0.5615 | Remote Similarity | NPD8449 | Approved |
0.5614 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD6932 | Approved |
0.561 | Remote Similarity | NPD6319 | Approved |
0.561 | Remote Similarity | NPD6059 | Approved |
0.56 | Remote Similarity | NPD6930 | Phase 2 |
0.56 | Remote Similarity | NPD6928 | Phase 2 |
0.56 | Remote Similarity | NPD6931 | Approved |
PubChem CID   | 11968647 |
ChEMBL   | CHEMBL3809140 |
ZINC   |
Molecular Weight:   | 346.13 |
ALogP:   | -3.8433 |
MLogP:   | 2.12 |
XLogP:   | -2.004 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 141.37 |
# H-Bond Aceptor:   | 9 |
# H-Bond Donor:   | 5 |
# Rings:   | 4 |
# Heavy Atoms:   | 24 |