Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva | DOI[10.1007/s11306-015-0840-5] | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[22411374] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[11418788] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[2026685] |
||
NPO8321 | Allium chinense | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO4520 | Allium macrostemon | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO3107 | Bupleurum falcatum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO8416 | Picrorhiza kurrooa | Species | Plantaginaceae | Eukaryota | TM-MC* | |||
NPO14720 | Neopicrorhiza scrophulariiflora | Species | Plantaginaceae | Eukaryota | TM-MC* | |||
NPO28159 | Rubia akane | Species | Rubiaceae | Eukaryota | TM-MC* | |||
NPO10608 | Exodermis poria | NA | NA | NA | TCMID* | |||
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1727 | Individual Protein | Acrosin | Homo sapiens | Inhibition | = | 37 | % | 7031247 |
NPT3190 | Cell Line | NHDF | Homo sapiens | Activity | = | 52 | % | 19135365 |
NPT3190 | Cell Line | NHDF | Homo sapiens | Activity | = | 85 | % | 19135365 |
NPT3190 | Cell Line | NHDF | Homo sapiens | Activity | = | 106 | % | 19135365 |
NPT839 | Cell Line | L6 | Rattus norvegicus | Activity | = | 5.8 | nM | 19049348 |
NPT839 | Cell Line | L6 | Rattus norvegicus | Activity | = | 13.7 | nM | 19049348 |
NPT839 | Cell Line | L6 | Rattus norvegicus | FC | = | 1.51 | 19049348 | |
NPT839 | Cell Line | L6 | Rattus norvegicus | FC | = | 1.69 | 19049348 | |
NPT839 | Cell Line | L6 | Rattus norvegicus | Activity | = | 50 | % | 19049348 |
NPT2 | Others | Unspecified | FC | = | 1.43 | 19049348 | ||
NPT2 | Others | Unspecified | FC | = | 3.23 | 19049348 | ||
NPT2 | Others | Unspecified | Activity | = | 1.6 | nmol | 19049348 | |
NPT839 | Cell Line | L6 | Rattus norvegicus | FC | = | 1.49 | 19049348 | |
NPT2 | Others | Unspecified | Activity | = | 68.9 | % | 19049348 | |
NPT1415 | Individual Protein | Heat shock factor protein 1 | Mus musculus | EC50 | > | 195000 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | 17373.9 | nM | PubChem BioAssay data set |
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 NPC86191 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 | NPC134252 |
1.0 | High Similarity | NPC291502 |
1.0 | High Similarity | NPC298699 |
1.0 | High Similarity | NPC317182 |
1.0 | High Similarity | NPC213159 |
0.9286 | High Similarity | NPC176017 |
0.9286 | High Similarity | NPC255377 |
0.9286 | High Similarity | NPC69445 |
0.9286 | High Similarity | NPC165846 |
0.9286 | High Similarity | NPC21209 |
0.9286 | High Similarity | NPC289758 |
0.9286 | High Similarity | NPC199857 |
0.9286 | High Similarity | NPC285364 |
0.9286 | High Similarity | NPC92246 |
0.9286 | High Similarity | NPC73906 |
0.907 | High Similarity | NPC321087 |
0.907 | High Similarity | NPC277475 |
0.9024 | High Similarity | NPC320189 |
0.8864 | High Similarity | NPC14144 |
0.881 | High Similarity | NPC70756 |
0.881 | High Similarity | NPC320240 |
0.8667 | High Similarity | NPC299781 |
0.8667 | High Similarity | NPC42503 |
0.8667 | High Similarity | NPC157193 |
0.8667 | High Similarity | NPC282143 |
0.8478 | Intermediate Similarity | NPC323574 |
0.8298 | Intermediate Similarity | NPC124963 |
0.8298 | Intermediate Similarity | NPC233726 |
0.8298 | Intermediate Similarity | NPC23134 |
0.8298 | Intermediate Similarity | NPC326533 |
0.8095 | Intermediate Similarity | NPC266553 |
0.7959 | Intermediate Similarity | NPC323361 |
0.7959 | Intermediate Similarity | NPC67660 |
0.7959 | Intermediate Similarity | NPC317626 |
0.7959 | Intermediate Similarity | NPC242073 |
0.7959 | Intermediate Similarity | NPC314821 |
0.7959 | Intermediate Similarity | NPC89145 |
0.7959 | Intermediate Similarity | NPC107914 |
0.7959 | Intermediate Similarity | NPC58629 |
0.7959 | Intermediate Similarity | NPC246558 |
0.7959 | Intermediate Similarity | NPC157514 |
0.7959 | Intermediate Similarity | NPC317501 |
0.7959 | Intermediate Similarity | NPC269166 |
0.7959 | Intermediate Similarity | NPC165198 |
0.7959 | Intermediate Similarity | NPC130683 |
0.7959 | Intermediate Similarity | NPC145112 |
0.7955 | Intermediate Similarity | NPC29721 |
0.78 | Intermediate Similarity | NPC303727 |
0.7708 | Intermediate Similarity | NPC329128 |
0.7708 | Intermediate Similarity | NPC322158 |
0.75 | Intermediate Similarity | NPC148424 |
0.7447 | Intermediate Similarity | NPC252918 |
0.7447 | Intermediate Similarity | NPC230789 |
0.7436 | Intermediate Similarity | NPC127074 |
0.7436 | Intermediate Similarity | NPC182541 |
0.7436 | Intermediate Similarity | NPC187058 |
0.7436 | Intermediate Similarity | NPC149070 |
0.7436 | Intermediate Similarity | NPC197207 |
0.7358 | Intermediate Similarity | NPC219040 |
0.7358 | Intermediate Similarity | NPC472025 |
0.7222 | Intermediate Similarity | NPC322855 |
0.7222 | Intermediate Similarity | NPC320032 |
0.7222 | Intermediate Similarity | NPC317023 |
0.7222 | Intermediate Similarity | NPC290179 |
0.7222 | Intermediate Similarity | NPC34877 |
0.7143 | Intermediate Similarity | NPC82512 |
0.7091 | Intermediate Similarity | NPC143326 |
0.7073 | Intermediate Similarity | NPC227267 |
0.6964 | Remote Similarity | NPC477763 |
0.6964 | Remote Similarity | NPC477762 |
0.6964 | Remote Similarity | NPC155457 |
0.6964 | Remote Similarity | NPC477750 |
0.6964 | Remote Similarity | NPC477755 |
0.6964 | Remote Similarity | NPC477753 |
0.6964 | Remote Similarity | NPC477757 |
0.6964 | Remote Similarity | NPC472026 |
0.6905 | Remote Similarity | NPC325034 |
0.6905 | Remote Similarity | NPC293908 |
0.6905 | Remote Similarity | NPC192065 |
0.6905 | Remote Similarity | NPC86412 |
0.6905 | Remote Similarity | NPC66052 |
0.6863 | Remote Similarity | NPC329095 |
0.6744 | Remote Similarity | NPC313405 |
0.6735 | Remote Similarity | NPC88638 |
0.6731 | Remote Similarity | NPC103672 |
0.6731 | Remote Similarity | NPC320043 |
0.6724 | Remote Similarity | NPC317651 |
0.6724 | Remote Similarity | NPC268243 |
0.6724 | Remote Similarity | NPC277570 |
0.6724 | Remote Similarity | NPC325773 |
0.6724 | Remote Similarity | NPC258690 |
0.6667 | Remote Similarity | NPC301586 |
0.6667 | Remote Similarity | NPC33415 |
0.6667 | Remote Similarity | NPC107091 |
0.6667 | Remote Similarity | NPC207656 |
0.661 | Remote Similarity | NPC294813 |
0.661 | Remote Similarity | NPC31496 |
0.661 | Remote Similarity | NPC13143 |
0.661 | Remote Similarity | NPC6848 |
0.6522 | Remote Similarity | NPC88278 |
0.6522 | Remote Similarity | NPC111882 |
0.6522 | Remote Similarity | NPC227707 |
0.6522 | Remote Similarity | NPC99573 |
0.6522 | Remote Similarity | NPC102981 |
0.65 | Remote Similarity | NPC471760 |
0.65 | Remote Similarity | NPC471761 |
0.65 | Remote Similarity | NPC76881 |
0.65 | Remote Similarity | NPC12040 |
0.65 | Remote Similarity | NPC190418 |
0.65 | Remote Similarity | NPC147292 |
0.641 | Remote Similarity | NPC320326 |
0.6393 | Remote Similarity | NPC477752 |
0.6393 | Remote Similarity | NPC477756 |
0.6393 | Remote Similarity | NPC477764 |
0.6393 | Remote Similarity | NPC477751 |
0.6393 | Remote Similarity | NPC322801 |
0.6393 | Remote Similarity | NPC129100 |
0.6393 | Remote Similarity | NPC291650 |
0.629 | Remote Similarity | NPC477761 |
0.629 | Remote Similarity | NPC206601 |
0.629 | Remote Similarity | NPC32148 |
0.629 | Remote Similarity | NPC477759 |
0.629 | Remote Similarity | NPC477754 |
0.629 | Remote Similarity | NPC477760 |
0.629 | Remote Similarity | NPC477758 |
0.6275 | Remote Similarity | NPC112363 |
0.619 | Remote Similarity | NPC250619 |
0.619 | Remote Similarity | NPC50228 |
0.619 | Remote Similarity | NPC67099 |
0.619 | Remote Similarity | NPC97736 |
0.6154 | Remote Similarity | NPC46254 |
0.614 | Remote Similarity | NPC220922 |
0.6094 | Remote Similarity | NPC241265 |
0.6094 | Remote Similarity | NPC223174 |
0.6094 | Remote Similarity | NPC211428 |
0.6094 | Remote Similarity | NPC327753 |
0.6094 | Remote Similarity | NPC285003 |
0.6094 | Remote Similarity | NPC327486 |
0.6087 | Remote Similarity | NPC473991 |
0.6 | Remote Similarity | NPC471879 |
0.6 | Remote Similarity | NPC53760 |
0.6 | Remote Similarity | NPC474078 |
0.6 | Remote Similarity | NPC52268 |
0.6 | Remote Similarity | NPC272307 |
0.5918 | Remote Similarity | NPC313565 |
0.5918 | Remote Similarity | NPC228782 |
0.5918 | Remote Similarity | NPC259982 |
0.5909 | Remote Similarity | NPC185419 |
0.5909 | Remote Similarity | NPC184550 |
0.5821 | Remote Similarity | NPC225748 |
0.5821 | Remote Similarity | NPC132938 |
0.5821 | Remote Similarity | NPC39266 |
0.5821 | Remote Similarity | NPC308096 |
0.5821 | Remote Similarity | NPC163812 |
0.5821 | Remote Similarity | NPC206823 |
0.5821 | Remote Similarity | NPC55652 |
0.5821 | Remote Similarity | NPC9763 |
0.5821 | Remote Similarity | NPC248427 |
0.5821 | Remote Similarity | NPC169085 |
0.5821 | Remote Similarity | NPC291228 |
0.5781 | Remote Similarity | NPC179823 |
0.5769 | Remote Similarity | NPC314613 |
0.575 | Remote Similarity | NPC128335 |
0.5735 | Remote Similarity | NPC166250 |
0.5735 | Remote Similarity | NPC472173 |
0.5735 | Remote Similarity | NPC308489 |
0.5735 | Remote Similarity | NPC472174 |
0.5686 | Remote Similarity | NPC242655 |
0.5686 | Remote Similarity | NPC38891 |
0.5686 | Remote Similarity | NPC62014 |
0.5641 | Remote Similarity | NPC199270 |
0.5641 | Remote Similarity | NPC157340 |
0.5614 | Remote Similarity | NPC289979 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC86191 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 | NPD8788 | Approved |
0.9286 | High Similarity | NPD8999 | Phase 3 |
0.9286 | High Similarity | NPD9000 | Phase 3 |
0.9286 | High Similarity | NPD8998 | Phase 2 |
0.9286 | High Similarity | NPD8993 | Phase 1 |
0.9286 | High Similarity | NPD8997 | Approved |
0.8864 | High Similarity | NPD8965 | Approved |
0.8864 | High Similarity | NPD8966 | Approved |
0.8298 | Intermediate Similarity | NPD905 | Approved |
0.8298 | Intermediate Similarity | NPD904 | Phase 3 |
0.7959 | Intermediate Similarity | NPD9036 | Phase 3 |
0.7959 | Intermediate Similarity | NPD890 | Clinical (unspecified phase) |
0.7959 | Intermediate Similarity | NPD893 | Approved |
0.7959 | Intermediate Similarity | NPD892 | Phase 3 |
0.7959 | Intermediate Similarity | NPD891 | Phase 3 |
0.7959 | Intermediate Similarity | NPD888 | Phase 3 |
0.7959 | Intermediate Similarity | NPD887 | Approved |
0.7959 | Intermediate Similarity | NPD895 | Approved |
0.7959 | Intermediate Similarity | NPD9035 | Clinical (unspecified phase) |
0.7959 | Intermediate Similarity | NPD894 | Approved |
0.7959 | Intermediate Similarity | NPD889 | Approved |
0.7955 | Intermediate Similarity | NPD9006 | Approved |
0.7755 | Intermediate Similarity | NPD2269 | Approved |
0.7436 | Intermediate Similarity | NPD8814 | Phase 3 |
0.7358 | Intermediate Similarity | NPD369 | Approved |
0.7234 | Intermediate Similarity | NPD8994 | Approved |
0.6964 | Remote Similarity | NPD6123 | Approved |
0.6957 | Remote Similarity | NPD8957 | Approved |
0.6905 | Remote Similarity | NPD9052 | Approved |
0.6905 | Remote Similarity | NPD9053 | Approved |
0.6905 | Remote Similarity | NPD9051 | Approved |
0.6852 | Remote Similarity | NPD2267 | Suspended |
0.6739 | Remote Similarity | NPD8967 | Approved |
0.6731 | Remote Similarity | NPD9049 | Discontinued |
0.6731 | Remote Similarity | NPD9050 | Approved |
0.6724 | Remote Similarity | NPD847 | Phase 1 |
0.6724 | Remote Similarity | NPD8961 | Approved |
0.6667 | Remote Similarity | NPD9219 | Approved |
0.6667 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD9218 | Clinical (unspecified phase) |
0.6596 | Remote Similarity | NPD8958 | Phase 2 |
0.6522 | Remote Similarity | NPD8995 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD8996 | Phase 3 |
0.6393 | Remote Similarity | NPD9032 | Approved |
0.6393 | Remote Similarity | NPD9033 | Approved |
0.6393 | Remote Similarity | NPD9031 | Approved |
0.6393 | Remote Similarity | NPD9030 | Approved |
0.629 | Remote Similarity | NPD897 | Approved |
0.629 | Remote Similarity | NPD898 | Approved |
0.629 | Remote Similarity | NPD896 | Approved |
0.6275 | Remote Similarity | NPD9139 | Approved |
0.6182 | Remote Similarity | NPD7346 | Approved |
0.614 | Remote Similarity | NPD8959 | Approved |
0.6094 | Remote Similarity | NPD9445 | Approved |
0.6087 | Remote Similarity | NPD8977 | Phase 3 |
0.6087 | Remote Similarity | NPD8976 | Approved |
0.6066 | Remote Similarity | NPD1457 | Discontinued |
0.5821 | Remote Similarity | NPD3181 | Approved |
0.5821 | Remote Similarity | NPD389 | Phase 3 |
0.5821 | Remote Similarity | NPD9034 | Approved |
0.5821 | Remote Similarity | NPD67 | Phase 2 |
0.5641 | Remote Similarity | NPD8226 | Approved |
PubChem CID   | 135191 |
ChEMBL   | CHEMBL502135 |
ZINC   |
Molecular Weight:   | 150.05 |
ALogP:   | -2.0027 |
MLogP:   | 1.46 |
XLogP:   | -1.454 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 90.15 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 10 |