Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO18046 | Mosla chinensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO5315 | Zanthoxylum bungeanum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO9290 | Zanthoxylum piperitum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO29562 | Mume flos | NA | NA | NA | TCMSP* | |||
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO21355 | Elsholtzia ciliata | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 48978.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48557.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 4364.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 30637.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | 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 NPC286498 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 |
---|---|---|
0.9688 | High Similarity | NPC223374 |
0.9688 | High Similarity | NPC301398 |
0.9688 | High Similarity | NPC86545 |
0.9688 | High Similarity | NPC196442 |
0.9394 | High Similarity | NPC80641 |
0.9355 | High Similarity | NPC40965 |
0.9118 | High Similarity | NPC128996 |
0.9062 | High Similarity | NPC322892 |
0.8788 | High Similarity | NPC154396 |
0.8611 | High Similarity | NPC80234 |
0.8529 | High Similarity | NPC155872 |
0.8485 | Intermediate Similarity | NPC147054 |
0.8378 | Intermediate Similarity | NPC256163 |
0.8378 | Intermediate Similarity | NPC250028 |
0.8378 | Intermediate Similarity | NPC149299 |
0.8378 | Intermediate Similarity | NPC40597 |
0.8333 | Intermediate Similarity | NPC316546 |
0.8286 | Intermediate Similarity | NPC154642 |
0.8286 | Intermediate Similarity | NPC80396 |
0.8182 | Intermediate Similarity | NPC12904 |
0.8158 | Intermediate Similarity | NPC53541 |
0.8108 | Intermediate Similarity | NPC223249 |
0.8065 | Intermediate Similarity | NPC248233 |
0.8056 | Intermediate Similarity | NPC14608 |
0.7949 | Intermediate Similarity | NPC236579 |
0.7949 | Intermediate Similarity | NPC203531 |
0.7941 | Intermediate Similarity | NPC286695 |
0.7895 | Intermediate Similarity | NPC165533 |
0.7838 | Intermediate Similarity | NPC201622 |
0.7838 | Intermediate Similarity | NPC54980 |
0.7838 | Intermediate Similarity | NPC22903 |
0.7838 | Intermediate Similarity | NPC305660 |
0.7632 | Intermediate Similarity | NPC31551 |
0.7632 | Intermediate Similarity | NPC219536 |
0.7632 | Intermediate Similarity | NPC81263 |
0.7561 | Intermediate Similarity | NPC47363 |
0.7561 | Intermediate Similarity | NPC287231 |
0.7436 | Intermediate Similarity | NPC12156 |
0.7436 | Intermediate Similarity | NPC161097 |
0.7436 | Intermediate Similarity | NPC28598 |
0.7419 | Intermediate Similarity | NPC3693 |
0.7381 | Intermediate Similarity | NPC145045 |
0.7381 | Intermediate Similarity | NPC52700 |
0.7381 | Intermediate Similarity | NPC105329 |
0.7381 | Intermediate Similarity | NPC63182 |
0.7273 | Intermediate Similarity | NPC159398 |
0.7222 | Intermediate Similarity | NPC57499 |
0.7209 | Intermediate Similarity | NPC249754 |
0.7209 | Intermediate Similarity | NPC326957 |
0.7188 | Intermediate Similarity | NPC166804 |
0.7143 | Intermediate Similarity | NPC273545 |
0.7097 | Intermediate Similarity | NPC110107 |
0.7073 | Intermediate Similarity | NPC176500 |
0.7059 | Intermediate Similarity | NPC127696 |
0.7045 | Intermediate Similarity | NPC68577 |
0.7027 | Intermediate Similarity | NPC289344 |
0.7027 | Intermediate Similarity | NPC156630 |
0.6977 | Remote Similarity | NPC308301 |
0.6977 | Remote Similarity | NPC30195 |
0.6977 | Remote Similarity | NPC12438 |
0.6977 | Remote Similarity | NPC282440 |
0.697 | Remote Similarity | NPC143211 |
0.6944 | Remote Similarity | NPC41007 |
0.6944 | Remote Similarity | NPC178643 |
0.6944 | Remote Similarity | NPC168714 |
0.6944 | Remote Similarity | NPC35371 |
0.6905 | Remote Similarity | NPC317128 |
0.6889 | Remote Similarity | NPC207815 |
0.6889 | Remote Similarity | NPC223675 |
0.6889 | Remote Similarity | NPC250919 |
0.6889 | Remote Similarity | NPC26253 |
0.6875 | Remote Similarity | NPC41485 |
0.6875 | Remote Similarity | NPC32280 |
0.6774 | Remote Similarity | NPC23508 |
0.6765 | Remote Similarity | NPC281943 |
0.6765 | Remote Similarity | NPC317739 |
0.6757 | Remote Similarity | NPC140229 |
0.675 | Remote Similarity | NPC225963 |
0.675 | Remote Similarity | NPC301585 |
0.675 | Remote Similarity | NPC474205 |
0.675 | Remote Similarity | NPC113928 |
0.675 | Remote Similarity | NPC201844 |
0.675 | Remote Similarity | NPC94368 |
0.675 | Remote Similarity | NPC261080 |
0.675 | Remote Similarity | NPC279026 |
0.675 | Remote Similarity | NPC301696 |
0.675 | Remote Similarity | NPC154186 |
0.675 | Remote Similarity | NPC14227 |
0.6744 | Remote Similarity | NPC312547 |
0.6739 | Remote Similarity | NPC142103 |
0.6739 | Remote Similarity | NPC55678 |
0.6739 | Remote Similarity | NPC305182 |
0.6667 | Remote Similarity | NPC272426 |
0.6667 | Remote Similarity | NPC106872 |
0.6667 | Remote Similarity | NPC201132 |
0.6667 | Remote Similarity | NPC127134 |
0.6596 | Remote Similarity | NPC291724 |
0.6596 | Remote Similarity | NPC274261 |
0.6596 | Remote Similarity | NPC314084 |
0.6596 | Remote Similarity | NPC287811 |
0.6591 | Remote Similarity | NPC172042 |
0.65 | Remote Similarity | NPC197039 |
0.6486 | Remote Similarity | NPC108238 |
0.6486 | Remote Similarity | NPC99700 |
0.6458 | Remote Similarity | NPC310746 |
0.6444 | Remote Similarity | NPC328497 |
0.6444 | Remote Similarity | NPC324004 |
0.6429 | Remote Similarity | NPC307783 |
0.6429 | Remote Similarity | NPC149184 |
0.6429 | Remote Similarity | NPC209970 |
0.6429 | Remote Similarity | NPC196924 |
0.6429 | Remote Similarity | NPC216630 |
0.6429 | Remote Similarity | NPC171736 |
0.641 | Remote Similarity | NPC321699 |
0.641 | Remote Similarity | NPC155263 |
0.6389 | Remote Similarity | NPC185041 |
0.6389 | Remote Similarity | NPC225783 |
0.6389 | Remote Similarity | NPC24506 |
0.6389 | Remote Similarity | NPC236797 |
0.6389 | Remote Similarity | NPC21374 |
0.6389 | Remote Similarity | NPC147096 |
0.6389 | Remote Similarity | NPC163556 |
0.6389 | Remote Similarity | NPC112242 |
0.6364 | Remote Similarity | NPC28246 |
0.6341 | Remote Similarity | NPC214610 |
0.6341 | Remote Similarity | NPC183424 |
0.6341 | Remote Similarity | NPC294085 |
0.6341 | Remote Similarity | NPC118968 |
0.6316 | Remote Similarity | NPC474089 |
0.6316 | Remote Similarity | NPC139569 |
0.6316 | Remote Similarity | NPC474120 |
0.6304 | Remote Similarity | NPC131770 |
0.6304 | Remote Similarity | NPC216130 |
0.6304 | Remote Similarity | NPC200618 |
0.6286 | Remote Similarity | NPC88135 |
0.6286 | Remote Similarity | NPC279895 |
0.6279 | Remote Similarity | NPC144829 |
0.6279 | Remote Similarity | NPC325102 |
0.6279 | Remote Similarity | NPC67462 |
0.625 | Remote Similarity | NPC74352 |
0.625 | Remote Similarity | NPC8187 |
0.625 | Remote Similarity | NPC203105 |
0.6216 | Remote Similarity | NPC126915 |
0.6216 | Remote Similarity | NPC281883 |
0.62 | Remote Similarity | NPC320588 |
0.62 | Remote Similarity | NPC53463 |
0.62 | Remote Similarity | NPC469937 |
0.62 | Remote Similarity | NPC23155 |
0.62 | Remote Similarity | NPC289979 |
0.619 | Remote Similarity | NPC152008 |
0.6176 | Remote Similarity | NPC211250 |
0.617 | Remote Similarity | NPC304162 |
0.617 | Remote Similarity | NPC163345 |
0.6154 | Remote Similarity | NPC317203 |
0.6136 | Remote Similarity | NPC74845 |
0.6136 | Remote Similarity | NPC19305 |
0.6136 | Remote Similarity | NPC255837 |
0.6129 | Remote Similarity | NPC61373 |
0.6098 | Remote Similarity | NPC268826 |
0.6098 | Remote Similarity | NPC73245 |
0.6078 | Remote Similarity | NPC200845 |
0.6078 | Remote Similarity | NPC10316 |
0.6078 | Remote Similarity | NPC223677 |
0.6078 | Remote Similarity | NPC28779 |
0.6078 | Remote Similarity | NPC128061 |
0.6061 | Remote Similarity | NPC8368 |
0.6053 | Remote Similarity | NPC72324 |
0.6053 | Remote Similarity | NPC152759 |
0.6053 | Remote Similarity | NPC12231 |
0.6053 | Remote Similarity | NPC139131 |
0.6053 | Remote Similarity | NPC319034 |
0.6053 | Remote Similarity | NPC175342 |
0.6053 | Remote Similarity | NPC66124 |
0.6053 | Remote Similarity | NPC1748 |
0.6053 | Remote Similarity | NPC291158 |
0.6053 | Remote Similarity | NPC272998 |
0.6053 | Remote Similarity | NPC185538 |
0.6053 | Remote Similarity | NPC193062 |
0.6053 | Remote Similarity | NPC181516 |
0.6053 | Remote Similarity | NPC205141 |
0.6047 | Remote Similarity | NPC103286 |
0.6047 | Remote Similarity | NPC163746 |
0.6047 | Remote Similarity | NPC325452 |
0.6047 | Remote Similarity | NPC248763 |
0.6042 | Remote Similarity | NPC289388 |
0.6042 | Remote Similarity | NPC90904 |
0.6 | Remote Similarity | NPC8219 |
0.6 | Remote Similarity | NPC71761 |
0.6 | Remote Similarity | NPC134782 |
0.6 | Remote Similarity | NPC474914 |
0.6 | Remote Similarity | NPC474392 |
0.6 | Remote Similarity | NPC55023 |
0.5952 | Remote Similarity | NPC3531 |
0.5946 | Remote Similarity | NPC5934 |
0.5946 | Remote Similarity | NPC265882 |
0.5918 | Remote Similarity | NPC244452 |
0.5909 | Remote Similarity | NPC129972 |
0.5909 | Remote Similarity | NPC301528 |
0.5909 | Remote Similarity | NPC71317 |
0.587 | Remote Similarity | NPC314679 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC286498 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 |
---|---|---|---|
0.7561 | Intermediate Similarity | NPD2699 | Approved |
0.7045 | Intermediate Similarity | NPD6125 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD3206 | Approved |
0.6842 | Remote Similarity | NPD370 | Phase 3 |
0.6757 | Remote Similarity | NPD900 | Approved |
0.675 | Remote Similarity | NPD633 | Phase 3 |
0.675 | Remote Similarity | NPD9448 | Phase 2 |
0.6667 | Remote Similarity | NPD1461 | Approved |
0.6667 | Remote Similarity | NPD907 | Approved |
0.6667 | Remote Similarity | NPD8989 | Approved |
0.6667 | Remote Similarity | NPD908 | Approved |
0.6429 | Remote Similarity | NPD2270 | Approved |
0.6341 | Remote Similarity | NPD9655 | Approved |
0.6304 | Remote Similarity | NPD2266 | Phase 2 |
0.6279 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6216 | Remote Similarity | NPD9636 | Phase 2 |
0.62 | Remote Similarity | NPD3730 | Approved |
0.62 | Remote Similarity | NPD3728 | Approved |
0.619 | Remote Similarity | NPD7536 | Approved |
0.6154 | Remote Similarity | NPD9447 | Approved |
0.6053 | Remote Similarity | NPD5383 | Approved |
0.6053 | Remote Similarity | NPD2272 | Approved |
0.6 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD77 | Approved |
0.5952 | Remote Similarity | NPD9450 | Approved |
0.5946 | Remote Similarity | NPD8856 | Phase 2 |
0.5918 | Remote Similarity | NPD1400 | Approved |
0.5918 | Remote Similarity | NPD1399 | Approved |
0.587 | Remote Similarity | NPD634 | Phase 3 |
0.5686 | Remote Similarity | NPD631 | Approved |
0.5686 | Remote Similarity | NPD630 | Approved |
0.5625 | Remote Similarity | NPD5343 | Approved |
PubChem CID   | 8159 |
ChEMBL   | CHEMBL2228455 |
ZINC   |
Molecular Weight:   | 158.13 |
ALogP:   | -1.4583 |
MLogP:   | 2.23 |
XLogP:   | 3.298 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 11 |