Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO30240 | Bergenia ligulata | Species | Saxifragaceae | Eukaryota | volatile oil |
PMID[21639116] |
||
NPO13029 | Sorbus aucuparia | Species | Rosaceae | Eukaryota | TCM_Taiwan* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCM_Taiwan* | |||
NPO27640 | Sorbus tianschanica | Species | Rosaceae | Eukaryota | TCM_Taiwan* | |||
NPO7282 | Rauvolfia serpentina | Species | Apocynaceae | Eukaryota | TCMID* | |||
NPO13029 | Sorbus aucuparia | Species | Rosaceae | Eukaryota | TCMID* | |||
NPO14376 | Stephania cephalantha | Species | Menispermaceae | Eukaryota | TCMID* | |||
NPO19669 | Papaver album | Species | Papaveraceae | Eukaryota | TCMID* | |||
NPO9498 | Papaver somniferum | Species | Papaveraceae | Eukaryota | TCMID* | |||
NPO27640 | Sorbus tianschanica | Species | Rosaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1077 | Organism | Drosophila melanogaster | Drosophila melanogaster | LD50 | = | 1.44 | ug | 21639116 |
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 NPC275316 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 |
---|---|---|
0.8364 | Intermediate Similarity | NPC159650 |
0.8364 | Intermediate Similarity | NPC302564 |
0.8364 | Intermediate Similarity | NPC22897 |
0.8214 | Intermediate Similarity | NPC26223 |
0.8085 | Intermediate Similarity | NPC57923 |
0.8039 | Intermediate Similarity | NPC15789 |
0.7797 | Intermediate Similarity | NPC25747 |
0.7797 | Intermediate Similarity | NPC148233 |
0.7797 | Intermediate Similarity | NPC308457 |
0.7778 | Intermediate Similarity | NPC159535 |
0.7778 | Intermediate Similarity | NPC151761 |
0.7692 | Intermediate Similarity | NPC236338 |
0.7667 | Intermediate Similarity | NPC273600 |
0.7667 | Intermediate Similarity | NPC96414 |
0.7541 | Intermediate Similarity | NPC124586 |
0.7541 | Intermediate Similarity | NPC201356 |
0.7541 | Intermediate Similarity | NPC475555 |
0.7541 | Intermediate Similarity | NPC475675 |
0.75 | Intermediate Similarity | NPC234084 |
0.75 | Intermediate Similarity | NPC245002 |
0.75 | Intermediate Similarity | NPC86948 |
0.75 | Intermediate Similarity | NPC150717 |
0.7414 | Intermediate Similarity | NPC97570 |
0.7407 | Intermediate Similarity | NPC191643 |
0.7333 | Intermediate Similarity | NPC210303 |
0.7333 | Intermediate Similarity | NPC44343 |
0.7333 | Intermediate Similarity | NPC179087 |
0.7333 | Intermediate Similarity | NPC473737 |
0.7302 | Intermediate Similarity | NPC475760 |
0.7292 | Intermediate Similarity | NPC281043 |
0.7288 | Intermediate Similarity | NPC309408 |
0.7255 | Intermediate Similarity | NPC26600 |
0.7255 | Intermediate Similarity | NPC47946 |
0.7255 | Intermediate Similarity | NPC270706 |
0.7234 | Intermediate Similarity | NPC226511 |
0.7213 | Intermediate Similarity | NPC470808 |
0.7193 | Intermediate Similarity | NPC221763 |
0.7193 | Intermediate Similarity | NPC230296 |
0.7188 | Intermediate Similarity | NPC151481 |
0.7167 | Intermediate Similarity | NPC15193 |
0.7167 | Intermediate Similarity | NPC151648 |
0.7167 | Intermediate Similarity | NPC26810 |
0.7143 | Intermediate Similarity | NPC221250 |
0.7119 | Intermediate Similarity | NPC286189 |
0.7115 | Intermediate Similarity | NPC128280 |
0.7115 | Intermediate Similarity | NPC197467 |
0.7097 | Intermediate Similarity | NPC19769 |
0.7097 | Intermediate Similarity | NPC182794 |
0.7083 | Intermediate Similarity | NPC147824 |
0.7069 | Intermediate Similarity | NPC294938 |
0.7069 | Intermediate Similarity | NPC129150 |
0.7049 | Intermediate Similarity | NPC474774 |
0.7049 | Intermediate Similarity | NPC2328 |
0.7031 | Intermediate Similarity | NPC477117 |
0.7018 | Intermediate Similarity | NPC474913 |
0.7018 | Intermediate Similarity | NPC173157 |
0.7 | Intermediate Similarity | NPC130953 |
0.7 | Intermediate Similarity | NPC79756 |
0.7 | Intermediate Similarity | NPC41409 |
0.6984 | Remote Similarity | NPC146811 |
0.6984 | Remote Similarity | NPC276299 |
0.697 | Remote Similarity | NPC475762 |
0.6949 | Remote Similarity | NPC474084 |
0.6949 | Remote Similarity | NPC478096 |
0.6949 | Remote Similarity | NPC223679 |
0.6949 | Remote Similarity | NPC254095 |
0.6939 | Remote Similarity | NPC297608 |
0.6939 | Remote Similarity | NPC123357 |
0.6939 | Remote Similarity | NPC8270 |
0.6897 | Remote Similarity | NPC51846 |
0.6875 | Remote Similarity | NPC225272 |
0.6875 | Remote Similarity | NPC122627 |
0.6875 | Remote Similarity | NPC203335 |
0.6866 | Remote Similarity | NPC185186 |
0.6866 | Remote Similarity | NPC327383 |
0.6852 | Remote Similarity | NPC135698 |
0.6842 | Remote Similarity | NPC218486 |
0.6842 | Remote Similarity | NPC478120 |
0.6833 | Remote Similarity | NPC478095 |
0.6833 | Remote Similarity | NPC133600 |
0.6833 | Remote Similarity | NPC82465 |
0.6825 | Remote Similarity | NPC476589 |
0.6818 | Remote Similarity | NPC59558 |
0.6818 | Remote Similarity | NPC202011 |
0.6809 | Remote Similarity | NPC65353 |
0.6786 | Remote Similarity | NPC106531 |
0.678 | Remote Similarity | NPC135863 |
0.678 | Remote Similarity | NPC471277 |
0.678 | Remote Similarity | NPC471279 |
0.678 | Remote Similarity | NPC212730 |
0.678 | Remote Similarity | NPC265551 |
0.678 | Remote Similarity | NPC293437 |
0.678 | Remote Similarity | NPC249850 |
0.6769 | Remote Similarity | NPC63873 |
0.6739 | Remote Similarity | NPC63354 |
0.6724 | Remote Similarity | NPC478117 |
0.6721 | Remote Similarity | NPC98519 |
0.6719 | Remote Similarity | NPC248125 |
0.6719 | Remote Similarity | NPC37382 |
0.6667 | Remote Similarity | NPC187922 |
0.6667 | Remote Similarity | NPC477780 |
0.6667 | Remote Similarity | NPC477781 |
0.6667 | Remote Similarity | NPC128520 |
0.6667 | Remote Similarity | NPC21946 |
0.6667 | Remote Similarity | NPC327041 |
0.6667 | Remote Similarity | NPC477456 |
0.6667 | Remote Similarity | NPC189700 |
0.6667 | Remote Similarity | NPC475982 |
0.6667 | Remote Similarity | NPC285840 |
0.6667 | Remote Similarity | NPC477457 |
0.661 | Remote Similarity | NPC472808 |
0.661 | Remote Similarity | NPC324224 |
0.66 | Remote Similarity | NPC250954 |
0.6567 | Remote Similarity | NPC476012 |
0.6567 | Remote Similarity | NPC476037 |
0.6562 | Remote Similarity | NPC471566 |
0.6562 | Remote Similarity | NPC282760 |
0.6562 | Remote Similarity | NPC133904 |
0.6562 | Remote Similarity | NPC470123 |
0.6562 | Remote Similarity | NPC471565 |
0.6562 | Remote Similarity | NPC131174 |
0.6557 | Remote Similarity | NPC474267 |
0.6557 | Remote Similarity | NPC222852 |
0.6552 | Remote Similarity | NPC269615 |
0.6545 | Remote Similarity | NPC15912 |
0.6515 | Remote Similarity | NPC470256 |
0.6515 | Remote Similarity | NPC474823 |
0.6515 | Remote Similarity | NPC238223 |
0.6515 | Remote Similarity | NPC218477 |
0.6508 | Remote Similarity | NPC474658 |
0.6508 | Remote Similarity | NPC474723 |
0.6508 | Remote Similarity | NPC217940 |
0.6508 | Remote Similarity | NPC474729 |
0.6479 | Remote Similarity | NPC475711 |
0.6479 | Remote Similarity | NPC474026 |
0.6471 | Remote Similarity | NPC293114 |
0.6471 | Remote Similarity | NPC316185 |
0.6462 | Remote Similarity | NPC470033 |
0.6458 | Remote Similarity | NPC75204 |
0.6452 | Remote Similarity | NPC429928 |
0.6452 | Remote Similarity | NPC471278 |
0.6452 | Remote Similarity | NPC19241 |
0.6441 | Remote Similarity | NPC25038 |
0.6429 | Remote Similarity | NPC27264 |
0.6418 | Remote Similarity | NPC475004 |
0.6418 | Remote Similarity | NPC88877 |
0.6418 | Remote Similarity | NPC476591 |
0.6415 | Remote Similarity | NPC12907 |
0.64 | Remote Similarity | NPC298413 |
0.6389 | Remote Similarity | NPC248775 |
0.6379 | Remote Similarity | NPC327103 |
0.6377 | Remote Similarity | NPC329914 |
0.6377 | Remote Similarity | NPC284006 |
0.6377 | Remote Similarity | NPC329890 |
0.6364 | Remote Similarity | NPC132286 |
0.6364 | Remote Similarity | NPC90490 |
0.6364 | Remote Similarity | NPC194871 |
0.6349 | Remote Similarity | NPC55376 |
0.6349 | Remote Similarity | NPC263732 |
0.6327 | Remote Similarity | NPC279300 |
0.6324 | Remote Similarity | NPC469660 |
0.6316 | Remote Similarity | NPC148056 |
0.6308 | Remote Similarity | NPC478099 |
0.6308 | Remote Similarity | NPC478098 |
0.6308 | Remote Similarity | NPC471556 |
0.6301 | Remote Similarity | NPC470149 |
0.6301 | Remote Similarity | NPC470148 |
0.6301 | Remote Similarity | NPC473947 |
0.6301 | Remote Similarity | NPC180725 |
0.6301 | Remote Similarity | NPC139712 |
0.6296 | Remote Similarity | NPC158853 |
0.6286 | Remote Similarity | NPC107654 |
0.6286 | Remote Similarity | NPC315843 |
0.6269 | Remote Similarity | NPC280374 |
0.625 | Remote Similarity | NPC82446 |
0.625 | Remote Similarity | NPC72258 |
0.625 | Remote Similarity | NPC126184 |
0.625 | Remote Similarity | NPC122676 |
0.625 | Remote Similarity | NPC68110 |
0.625 | Remote Similarity | NPC475073 |
0.6232 | Remote Similarity | NPC133098 |
0.6232 | Remote Similarity | NPC178575 |
0.623 | Remote Similarity | NPC472445 |
0.623 | Remote Similarity | NPC44542 |
0.6216 | Remote Similarity | NPC133226 |
0.6216 | Remote Similarity | NPC470147 |
0.6212 | Remote Similarity | NPC284447 |
0.6212 | Remote Similarity | NPC469446 |
0.6212 | Remote Similarity | NPC478101 |
0.6207 | Remote Similarity | NPC151919 |
0.6197 | Remote Similarity | NPC260396 |
0.6164 | Remote Similarity | NPC28049 |
0.6154 | Remote Similarity | NPC471611 |
0.6143 | Remote Similarity | NPC222244 |
0.6143 | Remote Similarity | NPC474705 |
0.6143 | Remote Similarity | NPC16349 |
0.614 | Remote Similarity | NPC221467 |
0.6133 | Remote Similarity | NPC297440 |
0.6129 | Remote Similarity | NPC187770 |
0.6119 | Remote Similarity | NPC478100 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC275316 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 |
---|---|---|---|
0.7021 | Intermediate Similarity | NPD9115 | Approved |
0.6667 | Remote Similarity | NPD9297 | Discontinued |
0.6667 | Remote Similarity | NPD9091 | Suspended |
0.6607 | Remote Similarity | NPD6927 | Phase 3 |
0.6415 | Remote Similarity | NPD6096 | Approved |
0.6415 | Remote Similarity | NPD6097 | Approved |
0.6308 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD9090 | Phase 3 |
0.6129 | Remote Similarity | NPD69 | Approved |
0.6129 | Remote Similarity | NPD9119 | Approved |
0.6094 | Remote Similarity | NPD9418 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD5343 | Approved |
0.5968 | Remote Similarity | NPD9118 | Approved |
0.5965 | Remote Similarity | NPD4220 | Pre-registration |
0.5909 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD6109 | Phase 1 |
0.5625 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
PubChem CID   | 441575 |
ChEMBL   | CHEMBL2252704 |
ZINC   |
Molecular Weight:   | 112.05 |
ALogP:   | 0.5265 |
MLogP:   | 1.9 |
XLogP:   | 0.926 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 8 |