Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO4843 | Gossampiniflos | NA | NA | NA | TCMSP* | |||
NPO25653 | Spatholobus suberectus | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO29603 | Saussureae involucratae herba | NA | NA | NA | TCMSP* | |||
NPO13103 | Radix angelicae biseratae | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO13879 | Humulus lupulus | Species | Cannabaceae | Eukaryota | TM-MC* | |||
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCMID* | |||
NPO18950 | Cephalotaxus fortunei | Species | Taxaceae | Eukaryota | TCMID* | |||
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota |
PMID[25518943] |
|||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[21386183] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 21872.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 43641.2 | 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 NPC250028 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 | NPC256163 |
1.0 | High Similarity | NPC149299 |
1.0 | High Similarity | NPC40597 |
0.9737 | High Similarity | NPC53541 |
0.973 | High Similarity | NPC80234 |
0.973 | High Similarity | NPC223249 |
0.9487 | High Similarity | NPC203531 |
0.9487 | High Similarity | NPC236579 |
0.9474 | High Similarity | NPC165533 |
0.9459 | High Similarity | NPC22903 |
0.9459 | High Similarity | NPC54980 |
0.9459 | High Similarity | NPC201622 |
0.9459 | High Similarity | NPC305660 |
0.9211 | High Similarity | NPC31551 |
0.9211 | High Similarity | NPC219536 |
0.9024 | High Similarity | NPC287231 |
0.9024 | High Similarity | NPC47363 |
0.8974 | High Similarity | NPC12156 |
0.8974 | High Similarity | NPC161097 |
0.8974 | High Similarity | NPC28598 |
0.8919 | High Similarity | NPC80396 |
0.8919 | High Similarity | NPC154642 |
0.8919 | High Similarity | NPC80641 |
0.881 | High Similarity | NPC145045 |
0.881 | High Similarity | NPC52700 |
0.881 | High Similarity | NPC105329 |
0.881 | High Similarity | NPC63182 |
0.8649 | High Similarity | NPC196442 |
0.8649 | High Similarity | NPC301398 |
0.8649 | High Similarity | NPC223374 |
0.8649 | High Similarity | NPC156630 |
0.8649 | High Similarity | NPC86545 |
0.8605 | High Similarity | NPC326957 |
0.8571 | High Similarity | NPC273545 |
0.8378 | Intermediate Similarity | NPC286498 |
0.8378 | Intermediate Similarity | NPC154396 |
0.8372 | Intermediate Similarity | NPC30195 |
0.8372 | Intermediate Similarity | NPC12438 |
0.8333 | Intermediate Similarity | NPC317128 |
0.825 | Intermediate Similarity | NPC154186 |
0.825 | Intermediate Similarity | NPC113928 |
0.825 | Intermediate Similarity | NPC14227 |
0.825 | Intermediate Similarity | NPC81263 |
0.825 | Intermediate Similarity | NPC279026 |
0.825 | Intermediate Similarity | NPC301696 |
0.825 | Intermediate Similarity | NPC301585 |
0.825 | Intermediate Similarity | NPC201844 |
0.825 | Intermediate Similarity | NPC261080 |
0.8222 | Intermediate Similarity | NPC26253 |
0.8205 | Intermediate Similarity | NPC128996 |
0.8108 | Intermediate Similarity | NPC286695 |
0.8108 | Intermediate Similarity | NPC322892 |
0.8095 | Intermediate Similarity | NPC176500 |
0.8043 | Intermediate Similarity | NPC55678 |
0.8043 | Intermediate Similarity | NPC305182 |
0.8 | Intermediate Similarity | NPC106872 |
0.7895 | Intermediate Similarity | NPC57499 |
0.7872 | Intermediate Similarity | NPC287811 |
0.7872 | Intermediate Similarity | NPC314084 |
0.7857 | Intermediate Similarity | NPC196924 |
0.7857 | Intermediate Similarity | NPC216630 |
0.7857 | Intermediate Similarity | NPC209970 |
0.7857 | Intermediate Similarity | NPC171736 |
0.7857 | Intermediate Similarity | NPC149184 |
0.7857 | Intermediate Similarity | NPC307783 |
0.7838 | Intermediate Similarity | NPC12904 |
0.7838 | Intermediate Similarity | NPC40965 |
0.7826 | Intermediate Similarity | NPC250919 |
0.7805 | Intermediate Similarity | NPC183424 |
0.7805 | Intermediate Similarity | NPC118968 |
0.7805 | Intermediate Similarity | NPC214610 |
0.7805 | Intermediate Similarity | NPC294085 |
0.7778 | Intermediate Similarity | NPC324004 |
0.7778 | Intermediate Similarity | NPC249754 |
0.7778 | Intermediate Similarity | NPC328497 |
0.775 | Intermediate Similarity | NPC14608 |
0.7708 | Intermediate Similarity | NPC310746 |
0.7692 | Intermediate Similarity | NPC155872 |
0.7692 | Intermediate Similarity | NPC289344 |
0.7674 | Intermediate Similarity | NPC67462 |
0.7609 | Intermediate Similarity | NPC216130 |
0.7609 | Intermediate Similarity | NPC200618 |
0.7609 | Intermediate Similarity | NPC131770 |
0.7561 | Intermediate Similarity | NPC268826 |
0.7556 | Intermediate Similarity | NPC282440 |
0.7556 | Intermediate Similarity | NPC308301 |
0.75 | Intermediate Similarity | NPC255837 |
0.75 | Intermediate Similarity | NPC19305 |
0.75 | Intermediate Similarity | NPC155263 |
0.75 | Intermediate Similarity | NPC74845 |
0.7447 | Intermediate Similarity | NPC304162 |
0.74 | Intermediate Similarity | NPC23155 |
0.74 | Intermediate Similarity | NPC320588 |
0.74 | Intermediate Similarity | NPC469937 |
0.74 | Intermediate Similarity | NPC53463 |
0.7381 | Intermediate Similarity | NPC94368 |
0.7333 | Intermediate Similarity | NPC8219 |
0.7333 | Intermediate Similarity | NPC55023 |
0.7292 | Intermediate Similarity | NPC90904 |
0.7255 | Intermediate Similarity | NPC223677 |
0.7255 | Intermediate Similarity | NPC28779 |
0.7255 | Intermediate Similarity | NPC128061 |
0.7255 | Intermediate Similarity | NPC200845 |
0.7255 | Intermediate Similarity | NPC10316 |
0.72 | Intermediate Similarity | NPC71761 |
0.7179 | Intermediate Similarity | NPC147054 |
0.7174 | Intermediate Similarity | NPC172042 |
0.7174 | Intermediate Similarity | NPC314679 |
0.7143 | Intermediate Similarity | NPC316546 |
0.7111 | Intermediate Similarity | NPC76051 |
0.7073 | Intermediate Similarity | NPC134782 |
0.7045 | Intermediate Similarity | NPC103286 |
0.7045 | Intermediate Similarity | NPC163746 |
0.7021 | Intermediate Similarity | NPC21844 |
0.7 | Intermediate Similarity | NPC161366 |
0.6957 | Remote Similarity | NPC469781 |
0.6923 | Remote Similarity | NPC261991 |
0.6923 | Remote Similarity | NPC49151 |
0.6923 | Remote Similarity | NPC179831 |
0.6923 | Remote Similarity | NPC262505 |
0.6923 | Remote Similarity | NPC254713 |
0.6889 | Remote Similarity | NPC129972 |
0.6889 | Remote Similarity | NPC301528 |
0.6889 | Remote Similarity | NPC71317 |
0.6875 | Remote Similarity | NPC68577 |
0.6875 | Remote Similarity | NPC324793 |
0.6875 | Remote Similarity | NPC13105 |
0.6875 | Remote Similarity | NPC477878 |
0.6863 | Remote Similarity | NPC309606 |
0.6863 | Remote Similarity | NPC139545 |
0.6863 | Remote Similarity | NPC39633 |
0.6829 | Remote Similarity | NPC317203 |
0.68 | Remote Similarity | NPC100096 |
0.6757 | Remote Similarity | NPC248233 |
0.6757 | Remote Similarity | NPC143211 |
0.675 | Remote Similarity | NPC175342 |
0.675 | Remote Similarity | NPC168714 |
0.675 | Remote Similarity | NPC41007 |
0.675 | Remote Similarity | NPC178643 |
0.675 | Remote Similarity | NPC99700 |
0.675 | Remote Similarity | NPC35371 |
0.6744 | Remote Similarity | NPC73245 |
0.6735 | Remote Similarity | NPC163345 |
0.6735 | Remote Similarity | NPC223675 |
0.6731 | Remote Similarity | NPC319589 |
0.6727 | Remote Similarity | NPC17935 |
0.6727 | Remote Similarity | NPC470363 |
0.6667 | Remote Similarity | NPC301919 |
0.6667 | Remote Similarity | NPC321699 |
0.6667 | Remote Similarity | NPC248763 |
0.6667 | Remote Similarity | NPC168982 |
0.6667 | Remote Similarity | NPC325452 |
0.6607 | Remote Similarity | NPC45097 |
0.6607 | Remote Similarity | NPC143857 |
0.6607 | Remote Similarity | NPC229252 |
0.6604 | Remote Similarity | NPC228473 |
0.66 | Remote Similarity | NPC224227 |
0.6585 | Remote Similarity | NPC49615 |
0.6531 | Remote Similarity | NPC180534 |
0.6522 | Remote Similarity | NPC289686 |
0.6491 | Remote Similarity | NPC306750 |
0.6486 | Remote Similarity | NPC166804 |
0.6471 | Remote Similarity | NPC470410 |
0.6471 | Remote Similarity | NPC262968 |
0.6471 | Remote Similarity | NPC470412 |
0.6458 | Remote Similarity | NPC166287 |
0.6429 | Remote Similarity | NPC226602 |
0.6429 | Remote Similarity | NPC472020 |
0.6429 | Remote Similarity | NPC472019 |
0.641 | Remote Similarity | NPC29561 |
0.641 | Remote Similarity | NPC221192 |
0.641 | Remote Similarity | NPC42403 |
0.641 | Remote Similarity | NPC153439 |
0.641 | Remote Similarity | NPC127696 |
0.641 | Remote Similarity | NPC222997 |
0.641 | Remote Similarity | NPC196434 |
0.641 | Remote Similarity | NPC79887 |
0.641 | Remote Similarity | NPC4962 |
0.64 | Remote Similarity | NPC207815 |
0.6379 | Remote Similarity | NPC54925 |
0.6379 | Remote Similarity | NPC235788 |
0.6346 | Remote Similarity | NPC281245 |
0.6341 | Remote Similarity | NPC18224 |
0.6341 | Remote Similarity | NPC108238 |
0.6341 | Remote Similarity | NPC328710 |
0.6316 | Remote Similarity | NPC472021 |
0.6275 | Remote Similarity | NPC50457 |
0.6275 | Remote Similarity | NPC142103 |
0.6271 | Remote Similarity | NPC328089 |
0.6271 | Remote Similarity | NPC68343 |
0.6271 | Remote Similarity | NPC314103 |
0.625 | Remote Similarity | NPC312547 |
0.625 | Remote Similarity | NPC21374 |
0.6226 | Remote Similarity | NPC1813 |
0.6226 | Remote Similarity | NPC139029 |
0.6226 | Remote Similarity | NPC72722 |
0.6226 | Remote Similarity | NPC36061 |
0.6226 | Remote Similarity | NPC294548 |
0.6222 | Remote Similarity | NPC3531 |
0.6222 | Remote Similarity | NPC225963 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC250028 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 |
---|---|---|---|
0.9024 | High Similarity | NPD2699 | Approved |
0.8462 | Intermediate Similarity | NPD3206 | Approved |
0.825 | Intermediate Similarity | NPD9448 | Phase 2 |
0.825 | Intermediate Similarity | NPD633 | Phase 3 |
0.8 | Intermediate Similarity | NPD6125 | Clinical (unspecified phase) |
0.7857 | Intermediate Similarity | NPD2270 | Approved |
0.7805 | Intermediate Similarity | NPD9655 | Approved |
0.7674 | Intermediate Similarity | NPD387 | Clinical (unspecified phase) |
0.74 | Intermediate Similarity | NPD3728 | Approved |
0.74 | Intermediate Similarity | NPD3730 | Approved |
0.7333 | Intermediate Similarity | NPD3199 | Clinical (unspecified phase) |
0.7174 | Intermediate Similarity | NPD634 | Phase 3 |
0.6905 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD2266 | Phase 2 |
0.6731 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6585 | Remote Similarity | NPD900 | Approved |
0.6531 | Remote Similarity | NPD622 | Approved |
0.6471 | Remote Similarity | NPD29 | Approved |
0.6471 | Remote Similarity | NPD28 | Approved |
0.6458 | Remote Similarity | NPD9430 | Approved |
0.6458 | Remote Similarity | NPD9431 | Approved |
0.6429 | Remote Similarity | NPD9447 | Approved |
0.6346 | Remote Similarity | NPD3186 | Phase 1 |
0.6226 | Remote Similarity | NPD3172 | Approved |
0.6222 | Remote Similarity | NPD9450 | Approved |
0.6222 | Remote Similarity | NPD77 | Approved |
0.614 | Remote Similarity | NPD3198 | Approved |
0.6111 | Remote Similarity | NPD3196 | Approved |
0.6111 | Remote Similarity | NPD4266 | Approved |
0.6111 | Remote Similarity | NPD3195 | Phase 2 |
0.6111 | Remote Similarity | NPD3194 | Approved |
0.6111 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD907 | Approved |
0.6098 | Remote Similarity | NPD908 | Approved |
0.6098 | Remote Similarity | NPD1461 | Approved |
0.6 | Remote Similarity | NPD9513 | Phase 1 |
0.5926 | Remote Similarity | NPD630 | Approved |
0.5926 | Remote Similarity | NPD631 | Approved |
0.5909 | Remote Similarity | NPD370 | Phase 3 |
0.5882 | Remote Similarity | NPD5343 | Approved |
0.5873 | Remote Similarity | NPD8278 | Approved |
0.5849 | Remote Similarity | NPD9638 | Phase 2 |
0.58 | Remote Similarity | NPD3174 | Discontinued |
0.5781 | Remote Similarity | NPD8277 | Approved |
0.5781 | Remote Similarity | NPD3725 | Approved |
0.5781 | Remote Similarity | NPD3726 | Approved |
0.5745 | Remote Similarity | NPD7536 | Approved |
0.5738 | Remote Similarity | NPD7909 | Approved |
0.5738 | Remote Similarity | NPD3197 | Phase 1 |
0.5645 | Remote Similarity | NPD9496 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD8989 | Approved |
0.5625 | Remote Similarity | NPD229 | Approved |
0.561 | Remote Similarity | NPD62 | Approved |
0.5606 | Remote Similarity | NPD2256 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD5777 | Approved |
PubChem CID   | 7800 |
ChEMBL   | CHEMBL3187842 |
ZINC   |
Molecular Weight:   | 228.21 |
ALogP:   | -2.2443 |
MLogP:   | 2.78 |
XLogP:   | 6.038 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |