Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO13730 | Magnolia liliiflora | Species | Magnoliaceae | Eukaryota | TCMID* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | TCMID* | |||
NPO1982 | Tilia miqueliana | Species | Malvaceae | Eukaryota | TCMID* | |||
NPO25618 | Eriobotrya japonica | Species | Rosaceae | Eukaryota | TCMID* | |||
NPO26589 | Artemisia annua | Species | Asteraceae | Eukaryota | TCMID* | |||
NPO7317.1 | Citrus aurantium var. amara | Varieties | Rutaceae | Eukaryota | TCMID* | |||
NPO17862 | Zanthoxylum planispinum | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO11575 | Artemisia japonica | Species | Asteraceae | Eukaryota | HerDing* | |||
NPO22216 | Chimonanthus fragrans | Species | Calycanthaceae | Eukaryota | TCMID* | |||
NPO12563 | Abelmoschus moschatus | Species | Malvaceae | Eukaryota | HerDing* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | HerDing* | |||
NPO1982 | Tilia miqueliana | Species | Malvaceae | Eukaryota | HerDing* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | HerDing* | |||
NPO22216 | Chimonanthus fragrans | Species | Calycanthaceae | Eukaryota | HerDing* | |||
NPO25618 | Eriobotrya japonica | Species | Rosaceae | Eukaryota | HerDing* | |||
NPO25645 | Flos lonicerae | Species | Lycaenidae | Eukaryota | HerDing* | |||
NPO26589 | Artemisia annua | Species | Asteraceae | Eukaryota | HerDing* | |||
NPO30851 | Magnolia liliflora | Species | Magnoliaceae | Eukaryota | HerDing* | |||
NPO7317.1 | Citrus aurantium var. amara | Varieties | Rutaceae | Eukaryota | HerDing* | |||
NPO29575 | Ardisiae japonicae herba | NA | NA | NA | TCMSP* | |||
NPO29654 | Lonicerae japonicae flos | NA | NA | NA | TCMSP* | |||
NPO26439 | Folium artemisiae argyi | NA | NA | NA | TCMSP* | |||
NPO12536 | Flemingia prostrata roxb | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO29719 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TCMSP* | |||
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO26378 | Bistorta manshuriensis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO28295 | Foeniculum vulgare | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO23213 | Bistorta officinalis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO25645 | Flos lonicerae | Species | Lycaenidae | Eukaryota | TCMID* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCMID* | |||
NPO11575 | Artemisia japonica | Species | Asteraceae | Eukaryota | TCMID* | |||
NPO12563 | Abelmoschus moschatus | Species | Malvaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 6859 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61130.6 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 61652.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 76958.8 | 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 NPC197467 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 |
---|---|---|
0.9767 | High Similarity | NPC47946 |
0.9767 | High Similarity | NPC26600 |
0.913 | High Similarity | NPC135698 |
0.9111 | High Similarity | NPC128280 |
0.8936 | High Similarity | NPC236338 |
0.8889 | High Similarity | NPC270706 |
0.8667 | High Similarity | NPC12907 |
0.8636 | High Similarity | NPC57923 |
0.8269 | Intermediate Similarity | NPC96663 |
0.82 | Intermediate Similarity | NPC106531 |
0.8163 | Intermediate Similarity | NPC15789 |
0.8113 | Intermediate Similarity | NPC129150 |
0.8113 | Intermediate Similarity | NPC293437 |
0.8113 | Intermediate Similarity | NPC294938 |
0.8113 | Intermediate Similarity | NPC135863 |
0.8113 | Intermediate Similarity | NPC249850 |
0.7963 | Intermediate Similarity | NPC254095 |
0.7963 | Intermediate Similarity | NPC223679 |
0.7963 | Intermediate Similarity | NPC21946 |
0.7959 | Intermediate Similarity | NPC15912 |
0.7885 | Intermediate Similarity | NPC269615 |
0.7818 | Intermediate Similarity | NPC82465 |
0.78 | Intermediate Similarity | NPC27264 |
0.7736 | Intermediate Similarity | NPC474913 |
0.7692 | Intermediate Similarity | NPC477781 |
0.7692 | Intermediate Similarity | NPC477780 |
0.7679 | Intermediate Similarity | NPC79756 |
0.7647 | Intermediate Similarity | NPC148056 |
0.7551 | Intermediate Similarity | NPC308331 |
0.7547 | Intermediate Similarity | NPC478120 |
0.7544 | Intermediate Similarity | NPC151648 |
0.7544 | Intermediate Similarity | NPC55376 |
0.75 | Intermediate Similarity | NPC304079 |
0.75 | Intermediate Similarity | NPC286189 |
0.75 | Intermediate Similarity | NPC6963 |
0.75 | Intermediate Similarity | NPC151919 |
0.7455 | Intermediate Similarity | NPC471277 |
0.7455 | Intermediate Similarity | NPC471279 |
0.7455 | Intermediate Similarity | NPC212730 |
0.7455 | Intermediate Similarity | NPC265551 |
0.7451 | Intermediate Similarity | NPC289388 |
0.7447 | Intermediate Similarity | NPC187922 |
0.7414 | Intermediate Similarity | NPC44343 |
0.7414 | Intermediate Similarity | NPC210303 |
0.7414 | Intermediate Similarity | NPC217940 |
0.7414 | Intermediate Similarity | NPC68110 |
0.7414 | Intermediate Similarity | NPC179087 |
0.7407 | Intermediate Similarity | NPC478117 |
0.7391 | Intermediate Similarity | NPC123357 |
0.7368 | Intermediate Similarity | NPC19241 |
0.7333 | Intermediate Similarity | NPC226511 |
0.7321 | Intermediate Similarity | NPC478096 |
0.7308 | Intermediate Similarity | NPC244452 |
0.7288 | Intermediate Similarity | NPC34883 |
0.7288 | Intermediate Similarity | NPC329698 |
0.7288 | Intermediate Similarity | NPC226066 |
0.7273 | Intermediate Similarity | NPC245002 |
0.7255 | Intermediate Similarity | NPC207815 |
0.7255 | Intermediate Similarity | NPC91765 |
0.7222 | Intermediate Similarity | NPC159535 |
0.7222 | Intermediate Similarity | NPC151761 |
0.7193 | Intermediate Similarity | NPC474267 |
0.7193 | Intermediate Similarity | NPC478095 |
0.7193 | Intermediate Similarity | NPC222852 |
0.717 | Intermediate Similarity | NPC170167 |
0.7167 | Intermediate Similarity | NPC282760 |
0.7115 | Intermediate Similarity | NPC275316 |
0.7069 | Intermediate Similarity | NPC471278 |
0.7069 | Intermediate Similarity | NPC299730 |
0.7069 | Intermediate Similarity | NPC26223 |
0.7049 | Intermediate Similarity | NPC248125 |
0.6964 | Remote Similarity | NPC221763 |
0.6949 | Remote Similarity | NPC26810 |
0.6939 | Remote Similarity | NPC116934 |
0.6935 | Remote Similarity | NPC194871 |
0.6935 | Remote Similarity | NPC225272 |
0.6935 | Remote Similarity | NPC472266 |
0.6935 | Remote Similarity | NPC203335 |
0.6923 | Remote Similarity | NPC234084 |
0.6923 | Remote Similarity | NPC267110 |
0.6897 | Remote Similarity | NPC159650 |
0.6897 | Remote Similarity | NPC22897 |
0.6885 | Remote Similarity | NPC133904 |
0.6885 | Remote Similarity | NPC220766 |
0.6885 | Remote Similarity | NPC182794 |
0.6875 | Remote Similarity | NPC269823 |
0.6852 | Remote Similarity | NPC191643 |
0.6842 | Remote Similarity | NPC44542 |
0.6842 | Remote Similarity | NPC472445 |
0.6833 | Remote Similarity | NPC473737 |
0.6833 | Remote Similarity | NPC155849 |
0.6833 | Remote Similarity | NPC474658 |
0.6825 | Remote Similarity | NPC218477 |
0.6825 | Remote Similarity | NPC276290 |
0.6825 | Remote Similarity | NPC470256 |
0.6818 | Remote Similarity | NPC63354 |
0.6809 | Remote Similarity | NPC29091 |
0.6809 | Remote Similarity | NPC255042 |
0.6809 | Remote Similarity | NPC182840 |
0.6809 | Remote Similarity | NPC103213 |
0.68 | Remote Similarity | NPC312547 |
0.6786 | Remote Similarity | NPC173157 |
0.6774 | Remote Similarity | NPC191233 |
0.6735 | Remote Similarity | NPC256766 |
0.6735 | Remote Similarity | NPC213538 |
0.6724 | Remote Similarity | NPC474084 |
0.6721 | Remote Similarity | NPC148233 |
0.6721 | Remote Similarity | NPC25747 |
0.6721 | Remote Similarity | NPC308457 |
0.6719 | Remote Similarity | NPC476591 |
0.6719 | Remote Similarity | NPC269841 |
0.6719 | Remote Similarity | NPC101622 |
0.6719 | Remote Similarity | NPC151481 |
0.6719 | Remote Similarity | NPC88877 |
0.6667 | Remote Similarity | NPC252860 |
0.6667 | Remote Similarity | NPC281043 |
0.6667 | Remote Similarity | NPC140501 |
0.6667 | Remote Similarity | NPC150717 |
0.6667 | Remote Similarity | NPC160628 |
0.6667 | Remote Similarity | NPC15193 |
0.6667 | Remote Similarity | NPC12319 |
0.6667 | Remote Similarity | NPC18205 |
0.6615 | Remote Similarity | NPC473361 |
0.6615 | Remote Similarity | NPC59558 |
0.6615 | Remote Similarity | NPC469660 |
0.6615 | Remote Similarity | NPC4299 |
0.6615 | Remote Similarity | NPC329904 |
0.6613 | Remote Similarity | NPC478099 |
0.6613 | Remote Similarity | NPC470123 |
0.6613 | Remote Similarity | NPC273600 |
0.6613 | Remote Similarity | NPC131174 |
0.6613 | Remote Similarity | NPC470688 |
0.6613 | Remote Similarity | NPC478098 |
0.6613 | Remote Similarity | NPC471556 |
0.6613 | Remote Similarity | NPC471565 |
0.6613 | Remote Similarity | NPC471566 |
0.661 | Remote Similarity | NPC97570 |
0.661 | Remote Similarity | NPC133600 |
0.6607 | Remote Similarity | NPC218486 |
0.6604 | Remote Similarity | NPC477778 |
0.6604 | Remote Similarity | NPC234597 |
0.6604 | Remote Similarity | NPC163345 |
0.6604 | Remote Similarity | NPC223675 |
0.6596 | Remote Similarity | NPC180840 |
0.6562 | Remote Similarity | NPC474823 |
0.6562 | Remote Similarity | NPC310210 |
0.6557 | Remote Similarity | NPC2328 |
0.6545 | Remote Similarity | NPC216407 |
0.6531 | Remote Similarity | NPC159773 |
0.6515 | Remote Similarity | NPC163003 |
0.6515 | Remote Similarity | NPC477084 |
0.6515 | Remote Similarity | NPC477086 |
0.6515 | Remote Similarity | NPC84038 |
0.6515 | Remote Similarity | NPC257618 |
0.6515 | Remote Similarity | NPC472254 |
0.6515 | Remote Similarity | NPC316185 |
0.6515 | Remote Similarity | NPC477087 |
0.6515 | Remote Similarity | NPC186531 |
0.6508 | Remote Similarity | NPC124586 |
0.6508 | Remote Similarity | NPC478101 |
0.6508 | Remote Similarity | NPC475675 |
0.6508 | Remote Similarity | NPC146811 |
0.6508 | Remote Similarity | NPC185587 |
0.6508 | Remote Similarity | NPC475555 |
0.65 | Remote Similarity | NPC309408 |
0.65 | Remote Similarity | NPC130953 |
0.65 | Remote Similarity | NPC45097 |
0.6491 | Remote Similarity | NPC223677 |
0.6491 | Remote Similarity | NPC10316 |
0.6491 | Remote Similarity | NPC28779 |
0.6491 | Remote Similarity | NPC200845 |
0.6491 | Remote Similarity | NPC128061 |
0.6471 | Remote Similarity | NPC138935 |
0.6462 | Remote Similarity | NPC470693 |
0.6462 | Remote Similarity | NPC475004 |
0.6462 | Remote Similarity | NPC232812 |
0.6429 | Remote Similarity | NPC71761 |
0.6418 | Remote Similarity | NPC476489 |
0.6418 | Remote Similarity | NPC474705 |
0.6418 | Remote Similarity | NPC477085 |
0.6418 | Remote Similarity | NPC476490 |
0.6418 | Remote Similarity | NPC16349 |
0.6418 | Remote Similarity | NPC222244 |
0.6418 | Remote Similarity | NPC135703 |
0.6415 | Remote Similarity | NPC318549 |
0.6415 | Remote Similarity | NPC68577 |
0.6406 | Remote Similarity | NPC132286 |
0.6406 | Remote Similarity | NPC478097 |
0.6406 | Remote Similarity | NPC21998 |
0.6406 | Remote Similarity | NPC478100 |
0.6393 | Remote Similarity | NPC325929 |
0.6393 | Remote Similarity | NPC66460 |
0.6393 | Remote Similarity | NPC271282 |
0.6383 | Remote Similarity | NPC185839 |
0.6379 | Remote Similarity | NPC327388 |
0.6379 | Remote Similarity | NPC86948 |
0.6364 | Remote Similarity | NPC37929 |
0.6364 | Remote Similarity | NPC43053 |
0.6364 | Remote Similarity | NPC64234 |
0.6349 | Remote Similarity | NPC96414 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC197467 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 |
---|---|---|---|
0.9149 | High Similarity | NPD6927 | Phase 3 |
0.75 | Intermediate Similarity | NPD6096 | Approved |
0.75 | Intermediate Similarity | NPD6097 | Approved |
0.74 | Intermediate Similarity | NPD5343 | Approved |
0.7288 | Intermediate Similarity | NPD5325 | Clinical (unspecified phase) |
0.7255 | Intermediate Similarity | NPD4220 | Pre-registration |
0.7167 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.7115 | Intermediate Similarity | NPD2268 | Discontinued |
0.6667 | Remote Similarity | NPD4265 | Approved |
0.6458 | Remote Similarity | NPD5783 | Phase 3 |
0.6346 | Remote Similarity | NPD39 | Approved |
0.6346 | Remote Similarity | NPD4222 | Approved |
0.6346 | Remote Similarity | NPD3174 | Discontinued |
0.6275 | Remote Similarity | NPD5326 | Phase 3 |
0.6232 | Remote Similarity | NPD8039 | Approved |
0.6167 | Remote Similarity | NPD6109 | Phase 1 |
0.6042 | Remote Similarity | NPD9115 | Approved |
0.6 | Remote Similarity | NPD3173 | Approved |
0.6 | Remote Similarity | NPD1452 | Discontinued |
0.5968 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD4192 | Approved |
0.5873 | Remote Similarity | NPD4191 | Approved |
0.5873 | Remote Similarity | NPD9418 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD4194 | Approved |
0.5873 | Remote Similarity | NPD4193 | Approved |
0.5789 | Remote Similarity | NPD29 | Approved |
0.5789 | Remote Similarity | NPD28 | Approved |
0.5741 | Remote Similarity | NPD9378 | Approved |
0.566 | Remote Similarity | NPD9411 | Phase 1 |
0.5658 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5658 | Remote Similarity | NPD5209 | Approved |
0.5645 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD9437 | Clinical (unspecified phase) |
PubChem CID   | 638500 |
ChEMBL   | CHEMBL3184169 |
ZINC   |
Molecular Weight:   | 264.21 |
ALogP:   | 3.951 |
MLogP:   | 3.11 |
XLogP:   | 5.086 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 19 |