Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29574 | Trichosanthis radix | NA | NA | NA | TCMSP* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22308371] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[15449570] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 3162.3 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 89125.1 | nM | PubChem BioAssay data set |
NPT4628 | Individual Protein | Ornithine decarboxylase | Rattus norvegicus | Inhibition | = | 25 | % | 619149 |
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 NPC140872 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 | NPC93081 |
0.8936 | High Similarity | NPC324825 |
0.8936 | High Similarity | NPC112890 |
0.8936 | High Similarity | NPC316231 |
0.8889 | High Similarity | NPC118459 |
0.8889 | High Similarity | NPC327698 |
0.8864 | High Similarity | NPC276294 |
0.86 | High Similarity | NPC183845 |
0.86 | High Similarity | NPC279661 |
0.8163 | Intermediate Similarity | NPC62045 |
0.8163 | Intermediate Similarity | NPC84636 |
0.8163 | Intermediate Similarity | NPC245027 |
0.8163 | Intermediate Similarity | NPC226027 |
0.8163 | Intermediate Similarity | NPC174246 |
0.8163 | Intermediate Similarity | NPC43204 |
0.8163 | Intermediate Similarity | NPC162620 |
0.8125 | Intermediate Similarity | NPC101249 |
0.8085 | Intermediate Similarity | NPC329263 |
0.8039 | Intermediate Similarity | NPC197087 |
0.8039 | Intermediate Similarity | NPC190184 |
0.8 | Intermediate Similarity | NPC121517 |
0.8 | Intermediate Similarity | NPC137958 |
0.8 | Intermediate Similarity | NPC326992 |
0.8 | Intermediate Similarity | NPC273330 |
0.8 | Intermediate Similarity | NPC168375 |
0.7963 | Intermediate Similarity | NPC11433 |
0.7963 | Intermediate Similarity | NPC302003 |
0.7963 | Intermediate Similarity | NPC245346 |
0.7872 | Intermediate Similarity | NPC323974 |
0.7857 | Intermediate Similarity | NPC118429 |
0.7778 | Intermediate Similarity | NPC278209 |
0.766 | Intermediate Similarity | NPC291186 |
0.766 | Intermediate Similarity | NPC167986 |
0.7636 | Intermediate Similarity | NPC189301 |
0.7636 | Intermediate Similarity | NPC176164 |
0.7593 | Intermediate Similarity | NPC38463 |
0.7593 | Intermediate Similarity | NPC325985 |
0.7586 | Intermediate Similarity | NPC226453 |
0.7586 | Intermediate Similarity | NPC103130 |
0.75 | Intermediate Similarity | NPC320598 |
0.75 | Intermediate Similarity | NPC325097 |
0.75 | Intermediate Similarity | NPC254541 |
0.75 | Intermediate Similarity | NPC132307 |
0.75 | Intermediate Similarity | NPC126925 |
0.7407 | Intermediate Similarity | NPC2801 |
0.74 | Intermediate Similarity | NPC136159 |
0.7368 | Intermediate Similarity | NPC68974 |
0.7333 | Intermediate Similarity | NPC327985 |
0.7255 | Intermediate Similarity | NPC153370 |
0.7234 | Intermediate Similarity | NPC66043 |
0.7234 | Intermediate Similarity | NPC237525 |
0.7234 | Intermediate Similarity | NPC53449 |
0.7234 | Intermediate Similarity | NPC326212 |
0.72 | Intermediate Similarity | NPC136476 |
0.72 | Intermediate Similarity | NPC49952 |
0.7193 | Intermediate Similarity | NPC321468 |
0.7193 | Intermediate Similarity | NPC321536 |
0.7193 | Intermediate Similarity | NPC276928 |
0.7193 | Intermediate Similarity | NPC316826 |
0.7193 | Intermediate Similarity | NPC317143 |
0.7193 | Intermediate Similarity | NPC64250 |
0.7193 | Intermediate Similarity | NPC268927 |
0.7193 | Intermediate Similarity | NPC327748 |
0.7174 | Intermediate Similarity | NPC18188 |
0.7143 | Intermediate Similarity | NPC318260 |
0.7143 | Intermediate Similarity | NPC317147 |
0.7111 | Intermediate Similarity | NPC272614 |
0.7111 | Intermediate Similarity | NPC116709 |
0.7111 | Intermediate Similarity | NPC21290 |
0.7091 | Intermediate Similarity | NPC322573 |
0.7069 | Intermediate Similarity | NPC143722 |
0.7069 | Intermediate Similarity | NPC329564 |
0.7069 | Intermediate Similarity | NPC327170 |
0.7049 | Intermediate Similarity | NPC287693 |
0.7018 | Intermediate Similarity | NPC190385 |
0.7 | Intermediate Similarity | NPC285322 |
0.7 | Intermediate Similarity | NPC208793 |
0.6984 | Remote Similarity | NPC133183 |
0.6984 | Remote Similarity | NPC322274 |
0.6981 | Remote Similarity | NPC50457 |
0.6981 | Remote Similarity | NPC125736 |
0.6957 | Remote Similarity | NPC63621 |
0.6935 | Remote Similarity | NPC78312 |
0.6935 | Remote Similarity | NPC221764 |
0.6935 | Remote Similarity | NPC135539 |
0.6935 | Remote Similarity | NPC196359 |
0.6935 | Remote Similarity | NPC188231 |
0.6935 | Remote Similarity | NPC222327 |
0.6885 | Remote Similarity | NPC278881 |
0.6863 | Remote Similarity | NPC213876 |
0.6863 | Remote Similarity | NPC185755 |
0.6863 | Remote Similarity | NPC309658 |
0.6863 | Remote Similarity | NPC297220 |
0.6852 | Remote Similarity | NPC155512 |
0.68 | Remote Similarity | NPC198301 |
0.6792 | Remote Similarity | NPC152451 |
0.6792 | Remote Similarity | NPC270805 |
0.6792 | Remote Similarity | NPC328378 |
0.6792 | Remote Similarity | NPC193989 |
0.6792 | Remote Similarity | NPC170739 |
0.6792 | Remote Similarity | NPC93888 |
0.6769 | Remote Similarity | NPC328457 |
0.6731 | Remote Similarity | NPC181588 |
0.6721 | Remote Similarity | NPC289691 |
0.6719 | Remote Similarity | NPC15864 |
0.6667 | Remote Similarity | NPC315977 |
0.6613 | Remote Similarity | NPC174304 |
0.6613 | Remote Similarity | NPC325597 |
0.6607 | Remote Similarity | NPC322091 |
0.6607 | Remote Similarity | NPC316889 |
0.6607 | Remote Similarity | NPC321118 |
0.6607 | Remote Similarity | NPC60672 |
0.6567 | Remote Similarity | NPC320221 |
0.6545 | Remote Similarity | NPC322946 |
0.6545 | Remote Similarity | NPC200550 |
0.6545 | Remote Similarity | NPC155156 |
0.6508 | Remote Similarity | NPC325534 |
0.6491 | Remote Similarity | NPC327831 |
0.6471 | Remote Similarity | NPC327272 |
0.6452 | Remote Similarity | NPC106216 |
0.6452 | Remote Similarity | NPC88898 |
0.6429 | Remote Similarity | NPC333075 |
0.6429 | Remote Similarity | NPC189178 |
0.6429 | Remote Similarity | NPC263065 |
0.6429 | Remote Similarity | NPC8488 |
0.6429 | Remote Similarity | NPC274499 |
0.6429 | Remote Similarity | NPC317815 |
0.6418 | Remote Similarity | NPC315897 |
0.6415 | Remote Similarity | NPC204364 |
0.6406 | Remote Similarity | NPC60424 |
0.6406 | Remote Similarity | NPC314221 |
0.6406 | Remote Similarity | NPC118524 |
0.64 | Remote Similarity | NPC317691 |
0.64 | Remote Similarity | NPC254482 |
0.64 | Remote Similarity | NPC326808 |
0.64 | Remote Similarity | NPC226265 |
0.64 | Remote Similarity | NPC219143 |
0.64 | Remote Similarity | NPC110533 |
0.6383 | Remote Similarity | NPC9294 |
0.6364 | Remote Similarity | NPC114990 |
0.6349 | Remote Similarity | NPC50047 |
0.6308 | Remote Similarity | NPC107224 |
0.6308 | Remote Similarity | NPC319046 |
0.6296 | Remote Similarity | NPC327542 |
0.625 | Remote Similarity | NPC19576 |
0.625 | Remote Similarity | NPC29950 |
0.623 | Remote Similarity | NPC177191 |
0.6226 | Remote Similarity | NPC198196 |
0.6212 | Remote Similarity | NPC126779 |
0.6207 | Remote Similarity | NPC102815 |
0.619 | Remote Similarity | NPC315744 |
0.6167 | Remote Similarity | NPC319279 |
0.614 | Remote Similarity | NPC329495 |
0.6111 | Remote Similarity | NPC316168 |
0.6094 | Remote Similarity | NPC160661 |
0.6087 | Remote Similarity | NPC114517 |
0.6071 | Remote Similarity | NPC327239 |
0.6071 | Remote Similarity | NPC319175 |
0.5968 | Remote Similarity | NPC321419 |
0.5965 | Remote Similarity | NPC202525 |
0.5942 | Remote Similarity | NPC185084 |
0.5932 | Remote Similarity | NPC10915 |
0.5926 | Remote Similarity | NPC228932 |
0.5918 | Remote Similarity | NPC69179 |
0.5909 | Remote Similarity | NPC126681 |
0.5893 | Remote Similarity | NPC17244 |
0.5893 | Remote Similarity | NPC286989 |
0.5873 | Remote Similarity | NPC322206 |
0.5862 | Remote Similarity | NPC245768 |
0.5818 | Remote Similarity | NPC118187 |
0.5781 | Remote Similarity | NPC327252 |
0.5778 | Remote Similarity | NPC174368 |
0.5763 | Remote Similarity | NPC145235 |
0.5741 | Remote Similarity | NPC191136 |
0.5714 | Remote Similarity | NPC318523 |
0.5714 | Remote Similarity | NPC227850 |
0.566 | Remote Similarity | NPC107645 |
0.5645 | Remote Similarity | NPC112224 |
0.5645 | Remote Similarity | NPC327895 |
0.5645 | Remote Similarity | NPC43169 |
0.5645 | Remote Similarity | NPC93861 |
0.5625 | Remote Similarity | NPC302188 |
0.5606 | Remote Similarity | NPC472609 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC140872 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 |
---|---|---|---|
1.0 | High Similarity | NPD8808 | Approved |
1.0 | High Similarity | NPD8809 | Approved |
0.8936 | High Similarity | NPD9044 | Approved |
0.8542 | High Similarity | NPD9016 | Clinical (unspecified phase) |
0.8269 | Intermediate Similarity | NPD8980 | Approved |
0.8269 | Intermediate Similarity | NPD8979 | Approved |
0.8269 | Intermediate Similarity | NPD8981 | Clinical (unspecified phase) |
0.8163 | Intermediate Similarity | NPD9018 | Approved |
0.8163 | Intermediate Similarity | NPD9017 | Approved |
0.8125 | Intermediate Similarity | NPD8866 | Approved |
0.8125 | Intermediate Similarity | NPD8867 | Approved |
0.8039 | Intermediate Similarity | NPD8785 | Approved |
0.8 | Intermediate Similarity | NPD8871 | Approved |
0.8 | Intermediate Similarity | NPD8872 | Phase 3 |
0.7963 | Intermediate Similarity | NPD8865 | Approved |
0.7872 | Intermediate Similarity | NPD9019 | Approved |
0.7857 | Intermediate Similarity | NPD9014 | Approved |
0.7692 | Intermediate Similarity | NPD8851 | Phase 1 |
0.766 | Intermediate Similarity | NPD8805 | Approved |
0.766 | Intermediate Similarity | NPD8804 | Approved |
0.7586 | Intermediate Similarity | NPD9046 | Phase 3 |
0.7586 | Intermediate Similarity | NPD9048 | Approved |
0.7586 | Intermediate Similarity | NPD9045 | Approved |
0.7586 | Intermediate Similarity | NPD9047 | Approved |
0.75 | Intermediate Similarity | NPD8798 | Approved |
0.7321 | Intermediate Similarity | NPD9433 | Approved |
0.7255 | Intermediate Similarity | NPD8614 | Approved |
0.7213 | Intermediate Similarity | NPD9233 | Phase 3 |
0.7213 | Intermediate Similarity | NPD9232 | Phase 2 |
0.7213 | Intermediate Similarity | NPD9231 | Phase 3 |
0.7174 | Intermediate Similarity | NPD8623 | Phase 1 |
0.7111 | Intermediate Similarity | NPD8211 | Approved |
0.7111 | Intermediate Similarity | NPD8210 | Phase 3 |
0.7059 | Intermediate Similarity | NPD8973 | Approved |
0.7059 | Intermediate Similarity | NPD8850 | Approved |
0.7059 | Intermediate Similarity | NPD8972 | Approved |
0.7018 | Intermediate Similarity | NPD9023 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD8610 | Approved |
0.6935 | Remote Similarity | NPD8868 | Approved |
0.6863 | Remote Similarity | NPD8982 | Approved |
0.6863 | Remote Similarity | NPD8801 | Approved |
0.6792 | Remote Similarity | NPD8624 | Approved |
0.6792 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.6792 | Remote Similarity | NPD8802 | Approved |
0.6792 | Remote Similarity | NPD8947 | Approved |
0.6792 | Remote Similarity | NPD8946 | Approved |
0.6792 | Remote Similarity | NPD9021 | Approved |
0.6786 | Remote Similarity | NPD8971 | Approved |
0.6731 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.6613 | Remote Similarity | NPD348 | Approved |
0.6567 | Remote Similarity | NPD366 | Approved |
0.6562 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.6545 | Remote Similarity | NPD9441 | Phase 2 |
0.6508 | Remote Similarity | NPD8952 | Approved |
0.6429 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD9205 | Approved |
0.6429 | Remote Similarity | NPD9204 | Approved |
0.6418 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.6406 | Remote Similarity | NPD9421 | Phase 1 |
0.6406 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.6406 | Remote Similarity | NPD886 | Clinical (unspecified phase) |
0.64 | Remote Similarity | NPD8214 | Approved |
0.64 | Remote Similarity | NPD8215 | Approved |
0.64 | Remote Similarity | NPD8609 | Approved |
0.64 | Remote Similarity | NPD8217 | Clinical (unspecified phase) |
0.64 | Remote Similarity | NPD8216 | Approved |
0.6379 | Remote Similarity | NPD9454 | Approved |
0.6316 | Remote Similarity | NPD630 | Approved |
0.6316 | Remote Similarity | NPD631 | Approved |
0.6308 | Remote Similarity | NPD4241 | Registered |
0.6308 | Remote Similarity | NPD337 | Discontinued |
0.6296 | Remote Similarity | NPD8873 | Approved |
0.629 | Remote Similarity | NPD9676 | Phase 3 |
0.625 | Remote Similarity | NPD8846 | Approved |
0.625 | Remote Similarity | NPD61 | Approved |
0.625 | Remote Similarity | NPD8847 | Approved |
0.6226 | Remote Similarity | NPD9020 | Approved |
0.6212 | Remote Similarity | NPD4242 | Approved |
0.6176 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD9439 | Approved |
0.6167 | Remote Similarity | NPD9438 | Approved |
0.6154 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD8208 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD8209 | Phase 2 |
0.6071 | Remote Similarity | NPD9025 | Approved |
0.6029 | Remote Similarity | NPD2262 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD9201 | Clinical (unspecified phase) |
0.5942 | Remote Similarity | NPD1147 | Phase 2 |
0.5909 | Remote Similarity | NPD7371 | Approved |
0.5893 | Remote Similarity | NPD9230 | Discontinued |
0.589 | Remote Similarity | NPD617 | Approved |
0.5882 | Remote Similarity | NPD2220 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD574 | Approved |
0.5857 | Remote Similarity | NPD9217 | Clinical (unspecified phase) |
0.5857 | Remote Similarity | NPD9109 | Discontinued |
0.5781 | Remote Similarity | NPD575 | Clinical (unspecified phase) |
0.5775 | Remote Similarity | NPD632 | Discontinued |
0.5694 | Remote Similarity | NPD9224 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD9649 | Approved |
0.5625 | Remote Similarity | NPD9656 | Approved |
PubChem CID   | 71082 |
ChEMBL   | CHEMBL103686 |
ZINC   |
Molecular Weight:   | 132.09 |
ALogP:   | -2.4611 |
MLogP:   | 1.57 |
XLogP:   | -3.307 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 89.34 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |