Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | roots | Purchased from Kiu Shun Trading Ltd., Vancouver, Canada | 2000 |
PMID[16643021] |
NPO21056 | Angelica keiskei | Species | Apiaceae | Eukaryota | Exudates |
PMID[16441065] |
||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1785 | Individual Protein | Serotonin 7 (5-HT7) receptor | Homo sapiens | IC50 | = | 118100 | nM | 16643021 |
NPT1785 | Individual Protein | Serotonin 7 (5-HT7) receptor | Homo sapiens | Inhibition | = | 49 | % | 16643021 |
NPT80 | Cell Line | Raji | Homo sapiens | Activity | = | 60 | % | 16441065 |
NPT2 | Others | Unspecified | Activity | = | 18.7 | % | 16441065 | |
NPT2 | Others | Unspecified | Activity | = | 53.1 | % | 16441065 | |
NPT2 | Others | Unspecified | Activity | = | 81.4 | % | 16441065 | |
NPT2 | Others | Unspecified | Activity | = | 100 | % | 16441065 | |
NPT2 | Others | Unspecified | IC50 | = | 511 | molar ratio | 16441065 | |
NPT2 | Others | Unspecified | Ratio | = | 1.2 | 16441065 |
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 NPC271282 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 | NPC325929 |
1.0 | High Similarity | NPC66460 |
0.9828 | High Similarity | NPC29697 |
0.9 | High Similarity | NPC475984 |
0.8983 | High Similarity | NPC474267 |
0.8852 | High Similarity | NPC470965 |
0.8644 | High Similarity | NPC44542 |
0.8644 | High Similarity | NPC212730 |
0.8644 | High Similarity | NPC265551 |
0.8525 | High Similarity | NPC471278 |
0.85 | High Similarity | NPC469373 |
0.8448 | Intermediate Similarity | NPC49059 |
0.8448 | Intermediate Similarity | NPC256209 |
0.8413 | Intermediate Similarity | NPC226592 |
0.8413 | Intermediate Similarity | NPC470320 |
0.8333 | Intermediate Similarity | NPC594 |
0.8333 | Intermediate Similarity | NPC48968 |
0.8333 | Intermediate Similarity | NPC472445 |
0.8305 | Intermediate Similarity | NPC474513 |
0.8305 | Intermediate Similarity | NPC470963 |
0.8305 | Intermediate Similarity | NPC146551 |
0.8226 | Intermediate Similarity | NPC299730 |
0.8167 | Intermediate Similarity | NPC470964 |
0.8167 | Intermediate Similarity | NPC311648 |
0.8065 | Intermediate Similarity | NPC222852 |
0.806 | Intermediate Similarity | NPC470436 |
0.8033 | Intermediate Similarity | NPC193975 |
0.8033 | Intermediate Similarity | NPC470970 |
0.8033 | Intermediate Similarity | NPC471279 |
0.8033 | Intermediate Similarity | NPC471277 |
0.8 | Intermediate Similarity | NPC477726 |
0.8 | Intermediate Similarity | NPC152668 |
0.8 | Intermediate Similarity | NPC477725 |
0.7931 | Intermediate Similarity | NPC151782 |
0.7931 | Intermediate Similarity | NPC129263 |
0.7895 | Intermediate Similarity | NPC207815 |
0.7895 | Intermediate Similarity | NPC85079 |
0.7895 | Intermediate Similarity | NPC31194 |
0.7895 | Intermediate Similarity | NPC248884 |
0.7869 | Intermediate Similarity | NPC473847 |
0.7869 | Intermediate Similarity | NPC471960 |
0.7869 | Intermediate Similarity | NPC470967 |
0.7869 | Intermediate Similarity | NPC470966 |
0.7869 | Intermediate Similarity | NPC470969 |
0.7869 | Intermediate Similarity | NPC470968 |
0.7869 | Intermediate Similarity | NPC475384 |
0.7869 | Intermediate Similarity | NPC161838 |
0.7869 | Intermediate Similarity | NPC477661 |
0.7833 | Intermediate Similarity | NPC110732 |
0.7812 | Intermediate Similarity | NPC477829 |
0.7812 | Intermediate Similarity | NPC113293 |
0.7812 | Intermediate Similarity | NPC26810 |
0.7797 | Intermediate Similarity | NPC142092 |
0.7761 | Intermediate Similarity | NPC473752 |
0.7761 | Intermediate Similarity | NPC99619 |
0.7761 | Intermediate Similarity | NPC26500 |
0.7759 | Intermediate Similarity | NPC72699 |
0.7727 | Intermediate Similarity | NPC245947 |
0.7727 | Intermediate Similarity | NPC136164 |
0.7727 | Intermediate Similarity | NPC255863 |
0.7714 | Intermediate Similarity | NPC470435 |
0.7714 | Intermediate Similarity | NPC329890 |
0.7705 | Intermediate Similarity | NPC473725 |
0.7705 | Intermediate Similarity | NPC474913 |
0.7705 | Intermediate Similarity | NPC473910 |
0.7705 | Intermediate Similarity | NPC52264 |
0.7705 | Intermediate Similarity | NPC473896 |
0.7705 | Intermediate Similarity | NPC473721 |
0.7705 | Intermediate Similarity | NPC473735 |
0.7705 | Intermediate Similarity | NPC475353 |
0.7681 | Intermediate Similarity | NPC4299 |
0.7667 | Intermediate Similarity | NPC34577 |
0.7656 | Intermediate Similarity | NPC327112 |
0.7627 | Intermediate Similarity | NPC55383 |
0.7586 | Intermediate Similarity | NPC153538 |
0.7586 | Intermediate Similarity | NPC125122 |
0.7586 | Intermediate Similarity | NPC471275 |
0.7586 | Intermediate Similarity | NPC471280 |
0.7586 | Intermediate Similarity | NPC471276 |
0.7544 | Intermediate Similarity | NPC55063 |
0.7544 | Intermediate Similarity | NPC35141 |
0.7544 | Intermediate Similarity | NPC124183 |
0.7544 | Intermediate Similarity | NPC19834 |
0.7541 | Intermediate Similarity | NPC48058 |
0.7541 | Intermediate Similarity | NPC137538 |
0.7541 | Intermediate Similarity | NPC269615 |
0.7541 | Intermediate Similarity | NPC473532 |
0.7538 | Intermediate Similarity | NPC201939 |
0.7538 | Intermediate Similarity | NPC321838 |
0.7538 | Intermediate Similarity | NPC328776 |
0.7538 | Intermediate Similarity | NPC320305 |
0.7536 | Intermediate Similarity | NPC143396 |
0.7536 | Intermediate Similarity | NPC101622 |
0.75 | Intermediate Similarity | NPC148192 |
0.75 | Intermediate Similarity | NPC330426 |
0.75 | Intermediate Similarity | NPC22101 |
0.75 | Intermediate Similarity | NPC127091 |
0.75 | Intermediate Similarity | NPC104537 |
0.75 | Intermediate Similarity | NPC25298 |
0.75 | Intermediate Similarity | NPC473829 |
0.75 | Intermediate Similarity | NPC475443 |
0.75 | Intermediate Similarity | NPC271921 |
0.7465 | Intermediate Similarity | NPC327383 |
0.7465 | Intermediate Similarity | NPC185186 |
0.7465 | Intermediate Similarity | NPC329914 |
0.7465 | Intermediate Similarity | NPC477085 |
0.7463 | Intermediate Similarity | NPC318420 |
0.7463 | Intermediate Similarity | NPC326268 |
0.7458 | Intermediate Similarity | NPC474642 |
0.7458 | Intermediate Similarity | NPC477727 |
0.7458 | Intermediate Similarity | NPC249670 |
0.7458 | Intermediate Similarity | NPC473913 |
0.7458 | Intermediate Similarity | NPC471281 |
0.7458 | Intermediate Similarity | NPC199286 |
0.7429 | Intermediate Similarity | NPC476037 |
0.7419 | Intermediate Similarity | NPC471239 |
0.7397 | Intermediate Similarity | NPC188860 |
0.7391 | Intermediate Similarity | NPC48218 |
0.7391 | Intermediate Similarity | NPC324981 |
0.7391 | Intermediate Similarity | NPC473559 |
0.7391 | Intermediate Similarity | NPC141481 |
0.7385 | Intermediate Similarity | NPC243532 |
0.7385 | Intermediate Similarity | NPC328311 |
0.7377 | Intermediate Similarity | NPC477724 |
0.7377 | Intermediate Similarity | NPC187361 |
0.7377 | Intermediate Similarity | NPC26102 |
0.7368 | Intermediate Similarity | NPC269074 |
0.7353 | Intermediate Similarity | NPC146811 |
0.7333 | Intermediate Similarity | NPC170776 |
0.7333 | Intermediate Similarity | NPC93639 |
0.7333 | Intermediate Similarity | NPC471959 |
0.7333 | Intermediate Similarity | NPC224148 |
0.7333 | Intermediate Similarity | NPC71053 |
0.7333 | Intermediate Similarity | NPC9273 |
0.7333 | Intermediate Similarity | NPC256656 |
0.7333 | Intermediate Similarity | NPC76198 |
0.7333 | Intermediate Similarity | NPC59408 |
0.7333 | Intermediate Similarity | NPC165447 |
0.7333 | Intermediate Similarity | NPC477723 |
0.7333 | Intermediate Similarity | NPC89824 |
0.7333 | Intermediate Similarity | NPC197272 |
0.7333 | Intermediate Similarity | NPC475477 |
0.7333 | Intermediate Similarity | NPC294278 |
0.7333 | Intermediate Similarity | NPC329608 |
0.7324 | Intermediate Similarity | NPC477087 |
0.7324 | Intermediate Similarity | NPC477086 |
0.7313 | Intermediate Similarity | NPC68343 |
0.7313 | Intermediate Similarity | NPC328089 |
0.7302 | Intermediate Similarity | NPC179764 |
0.7302 | Intermediate Similarity | NPC324224 |
0.7302 | Intermediate Similarity | NPC472808 |
0.7302 | Intermediate Similarity | NPC187777 |
0.7297 | Intermediate Similarity | NPC233071 |
0.7286 | Intermediate Similarity | NPC236208 |
0.7286 | Intermediate Similarity | NPC475004 |
0.7286 | Intermediate Similarity | NPC130618 |
0.7286 | Intermediate Similarity | NPC473772 |
0.7273 | Intermediate Similarity | NPC55376 |
0.726 | Intermediate Similarity | NPC260396 |
0.726 | Intermediate Similarity | NPC327041 |
0.726 | Intermediate Similarity | NPC285840 |
0.7246 | Intermediate Similarity | NPC478097 |
0.7231 | Intermediate Similarity | NPC159650 |
0.7231 | Intermediate Similarity | NPC318306 |
0.7231 | Intermediate Similarity | NPC22897 |
0.7213 | Intermediate Similarity | NPC106531 |
0.7206 | Intermediate Similarity | NPC19769 |
0.7206 | Intermediate Similarity | NPC476657 |
0.7206 | Intermediate Similarity | NPC478099 |
0.7206 | Intermediate Similarity | NPC476655 |
0.7206 | Intermediate Similarity | NPC478098 |
0.7206 | Intermediate Similarity | NPC96414 |
0.7206 | Intermediate Similarity | NPC476654 |
0.72 | Intermediate Similarity | NPC248775 |
0.7193 | Intermediate Similarity | NPC101616 |
0.7188 | Intermediate Similarity | NPC474577 |
0.7183 | Intermediate Similarity | NPC476660 |
0.7183 | Intermediate Similarity | NPC42526 |
0.7183 | Intermediate Similarity | NPC476012 |
0.7167 | Intermediate Similarity | NPC328784 |
0.7167 | Intermediate Similarity | NPC291437 |
0.7164 | Intermediate Similarity | NPC54925 |
0.7143 | Intermediate Similarity | NPC28779 |
0.7143 | Intermediate Similarity | NPC474823 |
0.7143 | Intermediate Similarity | NPC274290 |
0.7143 | Intermediate Similarity | NPC54766 |
0.7143 | Intermediate Similarity | NPC223677 |
0.7143 | Intermediate Similarity | NPC475760 |
0.7143 | Intermediate Similarity | NPC10316 |
0.7143 | Intermediate Similarity | NPC473863 |
0.7143 | Intermediate Similarity | NPC317899 |
0.7143 | Intermediate Similarity | NPC200845 |
0.7143 | Intermediate Similarity | NPC128061 |
0.7123 | Intermediate Similarity | NPC227396 |
0.7121 | Intermediate Similarity | NPC81896 |
0.7121 | Intermediate Similarity | NPC321919 |
0.7105 | Intermediate Similarity | NPC470149 |
0.7105 | Intermediate Similarity | NPC470148 |
0.7105 | Intermediate Similarity | NPC55304 |
0.7105 | Intermediate Similarity | NPC1180 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC271282 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 |
---|---|---|---|
0.7656 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD3197 | Phase 1 |
0.7013 | Intermediate Similarity | NPD5790 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD4247 | Clinical (unspecified phase) |
0.6962 | Remote Similarity | NPD5331 | Approved |
0.6962 | Remote Similarity | NPD5332 | Approved |
0.6825 | Remote Similarity | NPD3172 | Approved |
0.679 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6753 | Remote Similarity | NPD4268 | Approved |
0.6753 | Remote Similarity | NPD4271 | Approved |
0.675 | Remote Similarity | NPD7154 | Phase 3 |
0.6719 | Remote Similarity | NPD4266 | Approved |
0.6719 | Remote Similarity | NPD3196 | Approved |
0.6719 | Remote Similarity | NPD3194 | Approved |
0.6719 | Remote Similarity | NPD3195 | Phase 2 |
0.6714 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6582 | Remote Similarity | NPD4819 | Approved |
0.6582 | Remote Similarity | NPD4822 | Approved |
0.6582 | Remote Similarity | NPD4820 | Approved |
0.6582 | Remote Similarity | NPD4821 | Approved |
0.6567 | Remote Similarity | NPD6109 | Phase 1 |
0.6557 | Remote Similarity | NPD5343 | Approved |
0.6543 | Remote Similarity | NPD5362 | Discontinued |
0.6538 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6508 | Remote Similarity | NPD28 | Approved |
0.6508 | Remote Similarity | NPD29 | Approved |
0.6506 | Remote Similarity | NPD4249 | Approved |
0.6452 | Remote Similarity | NPD3173 | Approved |
0.6429 | Remote Similarity | NPD4251 | Approved |
0.6429 | Remote Similarity | NPD4250 | Approved |
0.642 | Remote Similarity | NPD4269 | Approved |
0.642 | Remote Similarity | NPD4270 | Approved |
0.6375 | Remote Similarity | NPD4252 | Approved |
0.6333 | Remote Similarity | NPD6097 | Approved |
0.6333 | Remote Similarity | NPD6096 | Approved |
0.631 | Remote Similarity | NPD5786 | Approved |
0.6296 | Remote Similarity | NPD4790 | Discontinued |
0.625 | Remote Similarity | NPD6927 | Phase 3 |
0.623 | Remote Similarity | NPD4222 | Approved |
0.623 | Remote Similarity | NPD39 | Approved |
0.623 | Remote Similarity | NPD3174 | Discontinued |
0.623 | Remote Similarity | NPD4265 | Approved |
0.622 | Remote Similarity | NPD6435 | Approved |
0.6203 | Remote Similarity | NPD4756 | Discovery |
0.619 | Remote Similarity | NPD5363 | Approved |
0.619 | Remote Similarity | NPD4220 | Pre-registration |
0.6136 | Remote Similarity | NPD7983 | Approved |
0.6098 | Remote Similarity | NPD5369 | Approved |
0.6092 | Remote Similarity | NPD5370 | Suspended |
0.6087 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6067 | Remote Similarity | NPD5779 | Approved |
0.6067 | Remote Similarity | NPD5778 | Approved |
0.6032 | Remote Similarity | NPD622 | Approved |
0.6023 | Remote Similarity | NPD5785 | Approved |
0.6023 | Remote Similarity | NPD7838 | Discovery |
0.5976 | Remote Similarity | NPD5368 | Approved |
0.5972 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5955 | Remote Similarity | NPD7637 | Suspended |
0.5949 | Remote Similarity | NPD8039 | Approved |
0.5909 | Remote Similarity | NPD6051 | Approved |
0.5902 | Remote Similarity | NPD5326 | Phase 3 |
0.589 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD342 | Phase 1 |
0.587 | Remote Similarity | NPD7839 | Suspended |
0.587 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5843 | Remote Similarity | NPD46 | Approved |
0.5843 | Remote Similarity | NPD6698 | Approved |
0.5833 | Remote Similarity | NPD4192 | Approved |
0.5833 | Remote Similarity | NPD5209 | Approved |
0.5833 | Remote Similarity | NPD4191 | Approved |
0.5833 | Remote Similarity | NPD368 | Approved |
0.5833 | Remote Similarity | NPD4193 | Approved |
0.5833 | Remote Similarity | NPD4194 | Approved |
0.5745 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD3728 | Approved |
0.5735 | Remote Similarity | NPD3730 | Approved |
0.573 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD6101 | Approved |
0.5682 | Remote Similarity | NPD7750 | Discontinued |
0.5652 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD3212 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD5344 | Discontinued |
0.5604 | Remote Similarity | NPD6411 | Approved |
PubChem CID   | 11652871 |
ChEMBL   | CHEMBL490698 |
ZINC   |
Molecular Weight:   | 332.20 |
ALogP:   | -0.2073 |
MLogP:   | 3.22 |
XLogP:   | 4.117 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 66.76 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 24 |