Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota |
PMID[25518943] |
|||
NPO30087 | Liquor jiu | NA | NA | NA | HerDing* | |||
NPO31317 | Vinum | NA | NA | NA | HerDing* | |||
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO3946 | Liquor jiu liquor. | NA | NA | NA | TCMID* | |||
NPO25154 | Vinum | NA | NA | NA | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 19.5 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 61130.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 24.3 | 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 NPC12904 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 |
---|---|---|
0.9667 | High Similarity | NPC286695 |
0.9355 | High Similarity | NPC154396 |
0.9032 | High Similarity | NPC322892 |
0.8788 | High Similarity | NPC80396 |
0.8788 | High Similarity | NPC80641 |
0.8788 | High Similarity | NPC154642 |
0.871 | High Similarity | NPC40965 |
0.8621 | High Similarity | NPC143211 |
0.8621 | High Similarity | NPC248233 |
0.8529 | High Similarity | NPC14608 |
0.8485 | Intermediate Similarity | NPC155872 |
0.8438 | Intermediate Similarity | NPC35371 |
0.8438 | Intermediate Similarity | NPC168714 |
0.8438 | Intermediate Similarity | NPC41007 |
0.8438 | Intermediate Similarity | NPC178643 |
0.8276 | Intermediate Similarity | NPC166804 |
0.8182 | Intermediate Similarity | NPC286498 |
0.8065 | Intermediate Similarity | NPC127696 |
0.8056 | Intermediate Similarity | NPC80234 |
0.8056 | Intermediate Similarity | NPC81263 |
0.7941 | Intermediate Similarity | NPC301398 |
0.7941 | Intermediate Similarity | NPC223374 |
0.7941 | Intermediate Similarity | NPC196442 |
0.7941 | Intermediate Similarity | NPC86545 |
0.7931 | Intermediate Similarity | NPC32280 |
0.7931 | Intermediate Similarity | NPC28246 |
0.7931 | Intermediate Similarity | NPC3693 |
0.7931 | Intermediate Similarity | NPC41485 |
0.7879 | Intermediate Similarity | NPC99700 |
0.7879 | Intermediate Similarity | NPC108238 |
0.7838 | Intermediate Similarity | NPC250028 |
0.7838 | Intermediate Similarity | NPC149299 |
0.7838 | Intermediate Similarity | NPC40597 |
0.7838 | Intermediate Similarity | NPC256163 |
0.7812 | Intermediate Similarity | NPC21374 |
0.7714 | Intermediate Similarity | NPC321699 |
0.7647 | Intermediate Similarity | NPC57499 |
0.7632 | Intermediate Similarity | NPC53541 |
0.7586 | Intermediate Similarity | NPC110107 |
0.7568 | Intermediate Similarity | NPC223249 |
0.75 | Intermediate Similarity | NPC128996 |
0.7436 | Intermediate Similarity | NPC236579 |
0.7436 | Intermediate Similarity | NPC203531 |
0.7429 | Intermediate Similarity | NPC289344 |
0.7368 | Intermediate Similarity | NPC165533 |
0.7297 | Intermediate Similarity | NPC316546 |
0.7297 | Intermediate Similarity | NPC305660 |
0.7297 | Intermediate Similarity | NPC54980 |
0.7297 | Intermediate Similarity | NPC22903 |
0.7297 | Intermediate Similarity | NPC201622 |
0.7241 | Intermediate Similarity | NPC23508 |
0.7241 | Intermediate Similarity | NPC8187 |
0.7241 | Intermediate Similarity | NPC203105 |
0.7188 | Intermediate Similarity | NPC234005 |
0.7188 | Intermediate Similarity | NPC281943 |
0.7188 | Intermediate Similarity | NPC317739 |
0.7143 | Intermediate Similarity | NPC140229 |
0.7105 | Intermediate Similarity | NPC94368 |
0.7105 | Intermediate Similarity | NPC219536 |
0.7105 | Intermediate Similarity | NPC31551 |
0.7097 | Intermediate Similarity | NPC201132 |
0.7097 | Intermediate Similarity | NPC127134 |
0.7097 | Intermediate Similarity | NPC211250 |
0.7073 | Intermediate Similarity | NPC47363 |
0.7073 | Intermediate Similarity | NPC287231 |
0.7 | Intermediate Similarity | NPC325102 |
0.697 | Remote Similarity | NPC180423 |
0.697 | Remote Similarity | NPC174368 |
0.6923 | Remote Similarity | NPC12156 |
0.6923 | Remote Similarity | NPC28598 |
0.6923 | Remote Similarity | NPC161097 |
0.6905 | Remote Similarity | NPC105329 |
0.6905 | Remote Similarity | NPC308301 |
0.6905 | Remote Similarity | NPC63182 |
0.6905 | Remote Similarity | NPC172042 |
0.6905 | Remote Similarity | NPC52700 |
0.6905 | Remote Similarity | NPC145045 |
0.6857 | Remote Similarity | NPC147054 |
0.6857 | Remote Similarity | NPC217218 |
0.6765 | Remote Similarity | NPC5934 |
0.6765 | Remote Similarity | NPC265882 |
0.6765 | Remote Similarity | NPC302611 |
0.6744 | Remote Similarity | NPC249754 |
0.6744 | Remote Similarity | NPC326957 |
0.6667 | Remote Similarity | NPC159398 |
0.6667 | Remote Similarity | NPC273545 |
0.6667 | Remote Similarity | NPC312547 |
0.6667 | Remote Similarity | NPC88135 |
0.6585 | Remote Similarity | NPC176500 |
0.6579 | Remote Similarity | NPC158179 |
0.6579 | Remote Similarity | NPC206924 |
0.6571 | Remote Similarity | NPC281883 |
0.6562 | Remote Similarity | NPC149209 |
0.6552 | Remote Similarity | NPC61373 |
0.6512 | Remote Similarity | NPC30195 |
0.6512 | Remote Similarity | NPC282440 |
0.6512 | Remote Similarity | NPC12438 |
0.6486 | Remote Similarity | NPC156630 |
0.6486 | Remote Similarity | NPC317203 |
0.6471 | Remote Similarity | NPC248139 |
0.6452 | Remote Similarity | NPC8368 |
0.6444 | Remote Similarity | NPC26253 |
0.6444 | Remote Similarity | NPC250919 |
0.6444 | Remote Similarity | NPC163345 |
0.6429 | Remote Similarity | NPC317128 |
0.641 | Remote Similarity | NPC73245 |
0.6389 | Remote Similarity | NPC175342 |
0.6364 | Remote Similarity | NPC283626 |
0.6304 | Remote Similarity | NPC55678 |
0.6304 | Remote Similarity | NPC305182 |
0.6286 | Remote Similarity | NPC198126 |
0.625 | Remote Similarity | NPC14227 |
0.625 | Remote Similarity | NPC279026 |
0.625 | Remote Similarity | NPC301696 |
0.625 | Remote Similarity | NPC301585 |
0.625 | Remote Similarity | NPC225963 |
0.625 | Remote Similarity | NPC3531 |
0.625 | Remote Similarity | NPC201844 |
0.625 | Remote Similarity | NPC261080 |
0.625 | Remote Similarity | NPC113928 |
0.625 | Remote Similarity | NPC154186 |
0.625 | Remote Similarity | NPC474205 |
0.6222 | Remote Similarity | NPC68577 |
0.6222 | Remote Similarity | NPC106872 |
0.6216 | Remote Similarity | NPC127142 |
0.6216 | Remote Similarity | NPC7814 |
0.6207 | Remote Similarity | NPC37493 |
0.6176 | Remote Similarity | NPC55956 |
0.617 | Remote Similarity | NPC287811 |
0.617 | Remote Similarity | NPC314084 |
0.6136 | Remote Similarity | NPC133771 |
0.6129 | Remote Similarity | NPC208021 |
0.6111 | Remote Similarity | NPC280532 |
0.6098 | Remote Similarity | NPC123357 |
0.6087 | Remote Similarity | NPC135698 |
0.6087 | Remote Similarity | NPC223675 |
0.6053 | Remote Similarity | NPC316685 |
0.6053 | Remote Similarity | NPC168052 |
0.6053 | Remote Similarity | NPC191084 |
0.6053 | Remote Similarity | NPC250870 |
0.6042 | Remote Similarity | NPC170167 |
0.6042 | Remote Similarity | NPC310746 |
0.6 | Remote Similarity | NPC104195 |
0.6 | Remote Similarity | NPC328497 |
0.6 | Remote Similarity | NPC151140 |
0.6 | Remote Similarity | NPC122768 |
0.6 | Remote Similarity | NPC324004 |
0.6 | Remote Similarity | NPC312003 |
0.6 | Remote Similarity | NPC232172 |
0.6 | Remote Similarity | NPC61066 |
0.5952 | Remote Similarity | NPC103286 |
0.5952 | Remote Similarity | NPC171736 |
0.5952 | Remote Similarity | NPC209970 |
0.5952 | Remote Similarity | NPC248763 |
0.5952 | Remote Similarity | NPC325452 |
0.5952 | Remote Similarity | NPC307783 |
0.5952 | Remote Similarity | NPC216630 |
0.5952 | Remote Similarity | NPC149184 |
0.5952 | Remote Similarity | NPC196924 |
0.5952 | Remote Similarity | NPC163746 |
0.5946 | Remote Similarity | NPC328710 |
0.5946 | Remote Similarity | NPC18224 |
0.5946 | Remote Similarity | NPC125575 |
0.5938 | Remote Similarity | NPC164646 |
0.5897 | Remote Similarity | NPC233231 |
0.5897 | Remote Similarity | NPC24967 |
0.5897 | Remote Similarity | NPC155263 |
0.5897 | Remote Similarity | NPC65353 |
0.5897 | Remote Similarity | NPC103612 |
0.5897 | Remote Similarity | NPC5505 |
0.587 | Remote Similarity | NPC131770 |
0.587 | Remote Similarity | NPC200618 |
0.587 | Remote Similarity | NPC216130 |
0.5862 | Remote Similarity | NPC137050 |
0.5854 | Remote Similarity | NPC118968 |
0.5854 | Remote Similarity | NPC214610 |
0.5854 | Remote Similarity | NPC183424 |
0.5854 | Remote Similarity | NPC294085 |
0.5833 | Remote Similarity | NPC244452 |
0.5814 | Remote Similarity | NPC67462 |
0.5814 | Remote Similarity | NPC187922 |
0.5814 | Remote Similarity | NPC71317 |
0.5814 | Remote Similarity | NPC129972 |
0.5814 | Remote Similarity | NPC301528 |
0.5814 | Remote Similarity | NPC144829 |
0.5806 | Remote Similarity | NPC37479 |
0.5806 | Remote Similarity | NPC222945 |
0.58 | Remote Similarity | NPC23155 |
0.58 | Remote Similarity | NPC53463 |
0.58 | Remote Similarity | NPC469937 |
0.58 | Remote Similarity | NPC320588 |
0.5789 | Remote Similarity | NPC63354 |
0.5758 | Remote Similarity | NPC35155 |
0.575 | Remote Similarity | NPC109026 |
0.575 | Remote Similarity | NPC252843 |
0.5745 | Remote Similarity | NPC207815 |
0.5745 | Remote Similarity | NPC304162 |
0.5714 | Remote Similarity | NPC238135 |
0.5714 | Remote Similarity | NPC231957 |
0.5686 | Remote Similarity | NPC200845 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC12904 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 |
---|---|---|---|
0.8182 | Intermediate Similarity | NPD900 | Approved |
0.7097 | Intermediate Similarity | NPD8989 | Approved |
0.7073 | Intermediate Similarity | NPD2699 | Approved |
0.6897 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.6897 | Remote Similarity | NPD8615 | Phase 2 |
0.6765 | Remote Similarity | NPD8856 | Phase 2 |
0.6591 | Remote Similarity | NPD5343 | Approved |
0.6591 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6591 | Remote Similarity | NPD2266 | Phase 2 |
0.6571 | Remote Similarity | NPD9636 | Phase 2 |
0.6486 | Remote Similarity | NPD9447 | Approved |
0.6471 | Remote Similarity | NPD62 | Approved |
0.641 | Remote Similarity | NPD3206 | Approved |
0.6364 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD370 | Phase 3 |
0.6286 | Remote Similarity | NPD8618 | Approved |
0.6279 | Remote Similarity | NPD377 | Approved |
0.6279 | Remote Similarity | NPD6096 | Approved |
0.6279 | Remote Similarity | NPD6097 | Approved |
0.625 | Remote Similarity | NPD77 | Approved |
0.625 | Remote Similarity | NPD9448 | Phase 2 |
0.625 | Remote Similarity | NPD633 | Phase 3 |
0.625 | Remote Similarity | NPD9450 | Approved |
0.6216 | Remote Similarity | NPD8857 | Approved |
0.6154 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD1459 | Approved |
0.6 | Remote Similarity | NPD1458 | Approved |
0.6 | Remote Similarity | NPD8619 | Approved |
0.6 | Remote Similarity | NPD8617 | Approved |
0.5952 | Remote Similarity | NPD2270 | Approved |
0.5918 | Remote Similarity | NPD630 | Approved |
0.5918 | Remote Similarity | NPD631 | Approved |
0.5882 | Remote Similarity | NPD106 | Approved |
0.5862 | Remote Similarity | NPD8200 | Phase 2 |
0.5854 | Remote Similarity | NPD9655 | Approved |
0.5833 | Remote Similarity | NPD6927 | Phase 3 |
0.5814 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD3728 | Approved |
0.58 | Remote Similarity | NPD3730 | Approved |
0.5758 | Remote Similarity | NPD8188 | Approved |
0.5758 | Remote Similarity | NPD8591 | Approved |
0.5758 | Remote Similarity | NPD8592 | Approved |
0.575 | Remote Similarity | NPD9131 | Discovery |
0.5714 | Remote Similarity | NPD9635 | Discontinued |
0.5625 | Remote Similarity | NPD9212 | Clinical (unspecified phase) |
PubChem CID   | 10890 |
ChEMBL   | CHEMBL3183048 |
ZINC   |
Molecular Weight:   | 158.13 |
ALogP:   | -1.0941 |
MLogP:   | 2.23 |
XLogP:   | 2.982 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 11 |