Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TCMSP* | |||
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | TCMSP* | |||
NPO1753 | Schisandrae chinensis fructus | NA | NA | NA | TCMSP* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TCMID* | |||
NPO8187 | Schisandra chinensis | Species | Schisandraceae | Eukaryota | TCMID* | |||
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | TCMID* | |||
NPO7255 | Pterocarpus indicus | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO21286 | Lignum pterocarpi indici | NA | NA | NA | TCMID* | |||
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | LC50 | = | 11900 | nM | 25993496 | |
NPT3013 | Cell Line | HN5 | Homo sapiens | LC50 | = | 15900 | nM | 25993496 |
NPT2 | Others | Unspecified | LC50 | = | 11100 | nM | 25993496 | |
NPT2 | Others | Unspecified | LC50 | = | 14500 | nM | 25993496 | |
NPT2 | Others | Unspecified | LC50 | = | 9100 | nM | 25993496 | |
NPT2 | Others | Unspecified | LC50 | = | 12600 | nM | 25993496 | |
NPT2 | Others | Unspecified | LC50 | = | 14300 | nM | 25993496 | |
NPT2 | Others | Unspecified | TGI | = | 9400 | nM | 25993496 | |
NPT3013 | Cell Line | HN5 | Homo sapiens | TGI | = | 9600 | nM | 25993496 |
NPT2 | Others | Unspecified | TGI | = | 6300 | nM | 25993496 | |
NPT2 | Others | Unspecified | TGI | = | 6800 | nM | 25993496 | |
NPT2 | Others | Unspecified | TGI | = | 6100 | nM | 25993496 | |
NPT2 | Others | Unspecified | TGI | = | 8400 | nM | 25993496 | |
NPT2 | Others | Unspecified | TGI | = | 10000 | nM | 25993496 | |
NPT3014 | Protein Family | Tubulin | Sus scrofa | FC | = | 7000 | 25993496 | |
NPT2 | Others | Unspecified | GI50 | = | 7300 | nM | 25993496 | |
NPT3013 | Cell Line | HN5 | Homo sapiens | GI50 | = | 6300 | nM | 25993496 |
NPT2 | Others | Unspecified | GI50 | = | 4200 | nM | 25993496 | |
NPT2 | Others | Unspecified | GI50 | = | 4400 | nM | 25993496 | |
NPT2 | Others | Unspecified | GI50 | = | 5700 | nM | 25993496 | |
NPT2 | Others | Unspecified | GI50 | = | 5800 | nM | 25993496 |
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 NPC47840 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 | NPC234264 |
0.9655 | High Similarity | NPC124112 |
0.9492 | High Similarity | NPC475704 |
0.918 | High Similarity | NPC135650 |
0.9138 | High Similarity | NPC309825 |
0.8571 | High Similarity | NPC162309 |
0.8235 | Intermediate Similarity | NPC309178 |
0.8167 | Intermediate Similarity | NPC11130 |
0.8125 | Intermediate Similarity | NPC187619 |
0.8116 | Intermediate Similarity | NPC313185 |
0.7879 | Intermediate Similarity | NPC136813 |
0.7879 | Intermediate Similarity | NPC477791 |
0.7846 | Intermediate Similarity | NPC19569 |
0.7833 | Intermediate Similarity | NPC298299 |
0.7826 | Intermediate Similarity | NPC234527 |
0.7826 | Intermediate Similarity | NPC14352 |
0.7778 | Intermediate Similarity | NPC471081 |
0.7761 | Intermediate Similarity | NPC167527 |
0.7692 | Intermediate Similarity | NPC309300 |
0.7656 | Intermediate Similarity | NPC147524 |
0.7612 | Intermediate Similarity | NPC74885 |
0.7612 | Intermediate Similarity | NPC308522 |
0.7586 | Intermediate Similarity | NPC26960 |
0.7586 | Intermediate Similarity | NPC182102 |
0.75 | Intermediate Similarity | NPC310643 |
0.75 | Intermediate Similarity | NPC247325 |
0.75 | Intermediate Similarity | NPC160209 |
0.75 | Intermediate Similarity | NPC244488 |
0.7458 | Intermediate Similarity | NPC244038 |
0.7429 | Intermediate Similarity | NPC471662 |
0.7424 | Intermediate Similarity | NPC107540 |
0.7419 | Intermediate Similarity | NPC249645 |
0.7419 | Intermediate Similarity | NPC55412 |
0.7385 | Intermediate Similarity | NPC210346 |
0.7353 | Intermediate Similarity | NPC69649 |
0.7353 | Intermediate Similarity | NPC114651 |
0.7353 | Intermediate Similarity | NPC68703 |
0.7353 | Intermediate Similarity | NPC171225 |
0.7324 | Intermediate Similarity | NPC474743 |
0.7313 | Intermediate Similarity | NPC477009 |
0.7313 | Intermediate Similarity | NPC238352 |
0.7288 | Intermediate Similarity | NPC200129 |
0.7286 | Intermediate Similarity | NPC254845 |
0.7273 | Intermediate Similarity | NPC474480 |
0.7273 | Intermediate Similarity | NPC474155 |
0.7273 | Intermediate Similarity | NPC473759 |
0.7246 | Intermediate Similarity | NPC224532 |
0.7231 | Intermediate Similarity | NPC135648 |
0.7222 | Intermediate Similarity | NPC471659 |
0.72 | Intermediate Similarity | NPC143182 |
0.72 | Intermediate Similarity | NPC47982 |
0.72 | Intermediate Similarity | NPC28862 |
0.72 | Intermediate Similarity | NPC84694 |
0.72 | Intermediate Similarity | NPC81306 |
0.72 | Intermediate Similarity | NPC30986 |
0.72 | Intermediate Similarity | NPC209430 |
0.72 | Intermediate Similarity | NPC109546 |
0.7164 | Intermediate Similarity | NPC110241 |
0.7143 | Intermediate Similarity | NPC141777 |
0.7143 | Intermediate Similarity | NPC269877 |
0.7143 | Intermediate Similarity | NPC474248 |
0.7143 | Intermediate Similarity | NPC167272 |
0.7143 | Intermediate Similarity | NPC166362 |
0.7143 | Intermediate Similarity | NPC473893 |
0.7143 | Intermediate Similarity | NPC227670 |
0.7143 | Intermediate Similarity | NPC48891 |
0.7123 | Intermediate Similarity | NPC263698 |
0.7105 | Intermediate Similarity | NPC234193 |
0.7083 | Intermediate Similarity | NPC474140 |
0.7077 | Intermediate Similarity | NPC5698 |
0.7067 | Intermediate Similarity | NPC474216 |
0.7042 | Intermediate Similarity | NPC34834 |
0.7042 | Intermediate Similarity | NPC189745 |
0.7042 | Intermediate Similarity | NPC9161 |
0.7042 | Intermediate Similarity | NPC49422 |
0.7027 | Intermediate Similarity | NPC126969 |
0.7027 | Intermediate Similarity | NPC471658 |
0.7015 | Intermediate Similarity | NPC211291 |
0.7015 | Intermediate Similarity | NPC133368 |
0.7013 | Intermediate Similarity | NPC209620 |
0.7013 | Intermediate Similarity | NPC4166 |
0.7013 | Intermediate Similarity | NPC264245 |
0.7013 | Intermediate Similarity | NPC23852 |
0.7 | Intermediate Similarity | NPC471238 |
0.7 | Intermediate Similarity | NPC96484 |
0.6986 | Remote Similarity | NPC469533 |
0.6986 | Remote Similarity | NPC469593 |
0.6986 | Remote Similarity | NPC469534 |
0.697 | Remote Similarity | NPC252809 |
0.697 | Remote Similarity | NPC323153 |
0.697 | Remote Similarity | NPC176621 |
0.6957 | Remote Similarity | NPC202017 |
0.6949 | Remote Similarity | NPC178644 |
0.6944 | Remote Similarity | NPC477792 |
0.6923 | Remote Similarity | NPC101462 |
0.6923 | Remote Similarity | NPC10017 |
0.6923 | Remote Similarity | NPC218616 |
0.6923 | Remote Similarity | NPC50964 |
0.6923 | Remote Similarity | NPC155025 |
0.6923 | Remote Similarity | NPC49964 |
0.6923 | Remote Similarity | NPC189972 |
0.6923 | Remote Similarity | NPC181872 |
0.6923 | Remote Similarity | NPC87489 |
0.6923 | Remote Similarity | NPC311092 |
0.6923 | Remote Similarity | NPC472465 |
0.6923 | Remote Similarity | NPC296701 |
0.6923 | Remote Similarity | NPC202389 |
0.6912 | Remote Similarity | NPC96793 |
0.6912 | Remote Similarity | NPC323424 |
0.6912 | Remote Similarity | NPC290367 |
0.6901 | Remote Similarity | NPC90115 |
0.6901 | Remote Similarity | NPC217570 |
0.6901 | Remote Similarity | NPC471560 |
0.6897 | Remote Similarity | NPC229403 |
0.6897 | Remote Similarity | NPC49088 |
0.6892 | Remote Similarity | NPC141071 |
0.6892 | Remote Similarity | NPC304309 |
0.6892 | Remote Similarity | NPC22105 |
0.6892 | Remote Similarity | NPC162742 |
0.6892 | Remote Similarity | NPC28657 |
0.6892 | Remote Similarity | NPC471468 |
0.6892 | Remote Similarity | NPC257347 |
0.6892 | Remote Similarity | NPC134847 |
0.6892 | Remote Similarity | NPC136188 |
0.6892 | Remote Similarity | NPC230301 |
0.6892 | Remote Similarity | NPC471723 |
0.6892 | Remote Similarity | NPC288035 |
0.6892 | Remote Similarity | NPC285893 |
0.6883 | Remote Similarity | NPC209944 |
0.6883 | Remote Similarity | NPC241290 |
0.6883 | Remote Similarity | NPC164840 |
0.6866 | Remote Similarity | NPC274704 |
0.6866 | Remote Similarity | NPC469728 |
0.6866 | Remote Similarity | NPC15152 |
0.6842 | Remote Similarity | NPC477514 |
0.6842 | Remote Similarity | NPC473943 |
0.6835 | Remote Similarity | NPC317458 |
0.6835 | Remote Similarity | NPC474634 |
0.6835 | Remote Similarity | NPC475789 |
0.6835 | Remote Similarity | NPC470384 |
0.6835 | Remote Similarity | NPC41539 |
0.6833 | Remote Similarity | NPC62755 |
0.6818 | Remote Similarity | NPC122239 |
0.6818 | Remote Similarity | NPC475931 |
0.6806 | Remote Similarity | NPC133873 |
0.68 | Remote Similarity | NPC202642 |
0.68 | Remote Similarity | NPC240604 |
0.68 | Remote Similarity | NPC46160 |
0.68 | Remote Similarity | NPC107059 |
0.68 | Remote Similarity | NPC300324 |
0.68 | Remote Similarity | NPC113733 |
0.68 | Remote Similarity | NPC189883 |
0.68 | Remote Similarity | NPC129165 |
0.68 | Remote Similarity | NPC134330 |
0.68 | Remote Similarity | NPC321016 |
0.68 | Remote Similarity | NPC237460 |
0.68 | Remote Similarity | NPC470362 |
0.68 | Remote Similarity | NPC321381 |
0.6795 | Remote Similarity | NPC474731 |
0.6795 | Remote Similarity | NPC474683 |
0.6795 | Remote Similarity | NPC7505 |
0.6795 | Remote Similarity | NPC474752 |
0.6795 | Remote Similarity | NPC82986 |
0.6795 | Remote Similarity | NPC474759 |
0.6795 | Remote Similarity | NPC47761 |
0.678 | Remote Similarity | NPC323445 |
0.6774 | Remote Similarity | NPC68014 |
0.6774 | Remote Similarity | NPC35756 |
0.6769 | Remote Similarity | NPC278550 |
0.6765 | Remote Similarity | NPC473508 |
0.6765 | Remote Similarity | NPC81615 |
0.6765 | Remote Similarity | NPC279200 |
0.6761 | Remote Similarity | NPC117804 |
0.6757 | Remote Similarity | NPC201048 |
0.6757 | Remote Similarity | NPC306727 |
0.6757 | Remote Similarity | NPC329090 |
0.6757 | Remote Similarity | NPC27395 |
0.6757 | Remote Similarity | NPC476366 |
0.6753 | Remote Similarity | NPC7232 |
0.675 | Remote Similarity | NPC231310 |
0.675 | Remote Similarity | NPC185568 |
0.675 | Remote Similarity | NPC238485 |
0.675 | Remote Similarity | NPC205845 |
0.675 | Remote Similarity | NPC474047 |
0.6719 | Remote Similarity | NPC329686 |
0.6719 | Remote Similarity | NPC148216 |
0.6719 | Remote Similarity | NPC232247 |
0.6719 | Remote Similarity | NPC251666 |
0.6719 | Remote Similarity | NPC130209 |
0.6719 | Remote Similarity | NPC148163 |
0.6716 | Remote Similarity | NPC99487 |
0.6716 | Remote Similarity | NPC240506 |
0.6716 | Remote Similarity | NPC66020 |
0.6714 | Remote Similarity | NPC250977 |
0.6714 | Remote Similarity | NPC81907 |
0.6714 | Remote Similarity | NPC286669 |
0.6714 | Remote Similarity | NPC222366 |
0.6714 | Remote Similarity | NPC476039 |
0.6714 | Remote Similarity | NPC149680 |
0.6714 | Remote Similarity | NPC176171 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC47840 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 |
---|---|---|---|
0.7419 | Intermediate Similarity | NPD4219 | Approved |
0.7143 | Intermediate Similarity | NPD6923 | Approved |
0.7143 | Intermediate Similarity | NPD6922 | Approved |
0.7042 | Intermediate Similarity | NPD7144 | Approved |
0.7042 | Intermediate Similarity | NPD7143 | Approved |
0.6944 | Remote Similarity | NPD7152 | Approved |
0.6944 | Remote Similarity | NPD7150 | Approved |
0.6944 | Remote Similarity | NPD7151 | Approved |
0.6933 | Remote Similarity | NPD5776 | Phase 2 |
0.6933 | Remote Similarity | NPD6925 | Approved |
0.6892 | Remote Similarity | NPD7339 | Approved |
0.6892 | Remote Similarity | NPD6942 | Approved |
0.6883 | Remote Similarity | NPD7514 | Phase 3 |
0.6842 | Remote Similarity | NPD7145 | Approved |
0.6842 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6795 | Remote Similarity | NPD6902 | Approved |
0.6757 | Remote Similarity | NPD6926 | Approved |
0.6757 | Remote Similarity | NPD6924 | Approved |
0.6753 | Remote Similarity | NPD6929 | Approved |
0.6719 | Remote Similarity | NPD342 | Phase 1 |
0.6667 | Remote Similarity | NPD6931 | Approved |
0.6667 | Remote Similarity | NPD6930 | Phase 2 |
0.6667 | Remote Similarity | NPD8264 | Approved |
0.6667 | Remote Similarity | NPD7332 | Phase 2 |
0.6623 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6618 | Remote Similarity | NPD368 | Approved |
0.6579 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6579 | Remote Similarity | NPD6933 | Approved |
0.6506 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6494 | Remote Similarity | NPD6932 | Approved |
0.6486 | Remote Similarity | NPD4243 | Approved |
0.6456 | Remote Similarity | NPD7525 | Registered |
0.642 | Remote Similarity | NPD5331 | Approved |
0.642 | Remote Similarity | NPD6695 | Phase 3 |
0.642 | Remote Similarity | NPD5332 | Approved |
0.6375 | Remote Similarity | NPD4790 | Discontinued |
0.6375 | Remote Similarity | NPD6898 | Phase 1 |
0.6341 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6329 | Remote Similarity | NPD6683 | Phase 2 |
0.6316 | Remote Similarity | NPD4785 | Approved |
0.6316 | Remote Similarity | NPD4784 | Approved |
0.6265 | Remote Similarity | NPD6893 | Approved |
0.6234 | Remote Similarity | NPD4190 | Phase 3 |
0.6234 | Remote Similarity | NPD5275 | Approved |
0.622 | Remote Similarity | NPD5362 | Discontinued |
0.6145 | Remote Similarity | NPD4786 | Approved |
0.6143 | Remote Similarity | NPD4191 | Approved |
0.6143 | Remote Similarity | NPD4194 | Approved |
0.6143 | Remote Similarity | NPD4192 | Approved |
0.6143 | Remote Similarity | NPD4193 | Approved |
0.6118 | Remote Similarity | NPD7524 | Approved |
0.6118 | Remote Similarity | NPD7750 | Discontinued |
0.6098 | Remote Similarity | NPD3667 | Approved |
0.6071 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6066 | Remote Similarity | NPD4265 | Approved |
0.6049 | Remote Similarity | NPD7509 | Discontinued |
0.6023 | Remote Similarity | NPD7637 | Suspended |
0.6 | Remote Similarity | NPD5279 | Phase 3 |
0.5952 | Remote Similarity | NPD3666 | Approved |
0.5952 | Remote Similarity | NPD3133 | Approved |
0.5952 | Remote Similarity | NPD3665 | Phase 1 |
0.5926 | Remote Similarity | NPD4195 | Approved |
0.5921 | Remote Similarity | NPD4747 | Approved |
0.5867 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD4821 | Approved |
0.5854 | Remote Similarity | NPD4748 | Discontinued |
0.5854 | Remote Similarity | NPD4820 | Approved |
0.5854 | Remote Similarity | NPD4819 | Approved |
0.5854 | Remote Similarity | NPD4822 | Approved |
0.5844 | Remote Similarity | NPD5276 | Approved |
0.5843 | Remote Similarity | NPD7087 | Discontinued |
0.5833 | Remote Similarity | NPD1799 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD3618 | Phase 1 |
0.5802 | Remote Similarity | NPD4271 | Approved |
0.5802 | Remote Similarity | NPD4268 | Approved |
0.5795 | Remote Similarity | NPD4753 | Phase 2 |
0.5795 | Remote Similarity | NPD5328 | Approved |
0.5789 | Remote Similarity | NPD4137 | Phase 3 |
0.5753 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD7645 | Phase 2 |
0.573 | Remote Similarity | NPD7136 | Phase 2 |
0.5714 | Remote Similarity | NPD4691 | Approved |
0.5714 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD4223 | Phase 3 |
0.5714 | Remote Similarity | NPD4269 | Approved |
0.5714 | Remote Similarity | NPD4270 | Approved |
0.5714 | Remote Similarity | NPD6939 | Phase 2 |
0.5714 | Remote Similarity | NPD4221 | Approved |
0.5698 | Remote Similarity | NPD1696 | Phase 3 |
0.5696 | Remote Similarity | NPD5733 | Approved |
0.5696 | Remote Similarity | NPD4687 | Approved |
0.5667 | Remote Similarity | NPD6079 | Approved |
0.5663 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD4252 | Approved |
0.5604 | Remote Similarity | NPD4202 | Approved |
PubChem CID   | 6857681 |
ChEMBL   | CHEMBL3586094 |
ZINC   |
Molecular Weight:   | 220.18 |
ALogP:   | 1.529 |
MLogP:   | 3 |
XLogP:   | 4.07 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 16 |