Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 34665.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27306 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48966.2 | 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 | 54941 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 61644.8 | 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 NPC170167 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 |
---|---|---|
0.9792 | High Similarity | NPC244452 |
0.9583 | High Similarity | NPC289388 |
0.92 | High Similarity | NPC216407 |
0.86 | High Similarity | NPC234597 |
0.8519 | High Similarity | NPC252860 |
0.8077 | Intermediate Similarity | NPC142103 |
0.8036 | Intermediate Similarity | NPC165808 |
0.7885 | Intermediate Similarity | NPC135698 |
0.7885 | Intermediate Similarity | NPC163345 |
0.7857 | Intermediate Similarity | NPC141699 |
0.7833 | Intermediate Similarity | NPC34883 |
0.7778 | Intermediate Similarity | NPC151919 |
0.7627 | Intermediate Similarity | NPC19241 |
0.7593 | Intermediate Similarity | NPC148056 |
0.7593 | Intermediate Similarity | NPC48162 |
0.7547 | Intermediate Similarity | NPC207815 |
0.7544 | Intermediate Similarity | NPC96663 |
0.75 | Intermediate Similarity | NPC144511 |
0.75 | Intermediate Similarity | NPC296522 |
0.75 | Intermediate Similarity | NPC276009 |
0.75 | Intermediate Similarity | NPC195246 |
0.75 | Intermediate Similarity | NPC22098 |
0.7407 | Intermediate Similarity | NPC27264 |
0.74 | Intermediate Similarity | NPC187922 |
0.7385 | Intermediate Similarity | NPC472955 |
0.7385 | Intermediate Similarity | NPC475310 |
0.7377 | Intermediate Similarity | NPC474658 |
0.7368 | Intermediate Similarity | NPC67367 |
0.7368 | Intermediate Similarity | NPC223677 |
0.7368 | Intermediate Similarity | NPC200845 |
0.7368 | Intermediate Similarity | NPC10316 |
0.7368 | Intermediate Similarity | NPC477984 |
0.7368 | Intermediate Similarity | NPC28779 |
0.7368 | Intermediate Similarity | NPC128061 |
0.7368 | Intermediate Similarity | NPC46151 |
0.7321 | Intermediate Similarity | NPC71761 |
0.7308 | Intermediate Similarity | NPC210560 |
0.7308 | Intermediate Similarity | NPC165651 |
0.7308 | Intermediate Similarity | NPC47946 |
0.7308 | Intermediate Similarity | NPC26600 |
0.7308 | Intermediate Similarity | NPC24824 |
0.7273 | Intermediate Similarity | NPC129665 |
0.7273 | Intermediate Similarity | NPC163003 |
0.7258 | Intermediate Similarity | NPC469723 |
0.7255 | Intermediate Similarity | NPC106819 |
0.7231 | Intermediate Similarity | NPC199557 |
0.7222 | Intermediate Similarity | NPC15912 |
0.7193 | Intermediate Similarity | NPC137538 |
0.7188 | Intermediate Similarity | NPC472266 |
0.7188 | Intermediate Similarity | NPC194871 |
0.717 | Intermediate Similarity | NPC197467 |
0.7164 | Intermediate Similarity | NPC58956 |
0.7164 | Intermediate Similarity | NPC470237 |
0.7164 | Intermediate Similarity | NPC269206 |
0.7164 | Intermediate Similarity | NPC295633 |
0.7164 | Intermediate Similarity | NPC135703 |
0.7143 | Intermediate Similarity | NPC470688 |
0.7121 | Intermediate Similarity | NPC472017 |
0.7097 | Intermediate Similarity | NPC155849 |
0.7097 | Intermediate Similarity | NPC217940 |
0.7091 | Intermediate Similarity | NPC236338 |
0.7083 | Intermediate Similarity | NPC14608 |
0.7077 | Intermediate Similarity | NPC470256 |
0.7077 | Intermediate Similarity | NPC276290 |
0.7069 | Intermediate Similarity | NPC52264 |
0.7059 | Intermediate Similarity | NPC474758 |
0.7059 | Intermediate Similarity | NPC474551 |
0.7059 | Intermediate Similarity | NPC140287 |
0.7059 | Intermediate Similarity | NPC117746 |
0.7059 | Intermediate Similarity | NPC472966 |
0.7059 | Intermediate Similarity | NPC476355 |
0.7059 | Intermediate Similarity | NPC294434 |
0.7059 | Intermediate Similarity | NPC15499 |
0.7059 | Intermediate Similarity | NPC259599 |
0.7031 | Intermediate Similarity | NPC154728 |
0.7031 | Intermediate Similarity | NPC126899 |
0.7031 | Intermediate Similarity | NPC477982 |
0.7031 | Intermediate Similarity | NPC304665 |
0.7018 | Intermediate Similarity | NPC309606 |
0.7018 | Intermediate Similarity | NPC139545 |
0.7018 | Intermediate Similarity | NPC39633 |
0.7 | Intermediate Similarity | NPC123357 |
0.7 | Intermediate Similarity | NPC329819 |
0.7 | Intermediate Similarity | NPC240206 |
0.6984 | Remote Similarity | NPC234767 |
0.697 | Remote Similarity | NPC473603 |
0.697 | Remote Similarity | NPC22301 |
0.697 | Remote Similarity | NPC269841 |
0.697 | Remote Similarity | NPC265574 |
0.697 | Remote Similarity | NPC476059 |
0.697 | Remote Similarity | NPC101622 |
0.697 | Remote Similarity | NPC107130 |
0.697 | Remote Similarity | NPC329656 |
0.6957 | Remote Similarity | NPC155587 |
0.6957 | Remote Similarity | NPC475861 |
0.6957 | Remote Similarity | NPC138408 |
0.6957 | Remote Similarity | NPC329852 |
0.6957 | Remote Similarity | NPC324762 |
0.6957 | Remote Similarity | NPC226669 |
0.6957 | Remote Similarity | NPC193351 |
0.6949 | Remote Similarity | NPC473936 |
0.6949 | Remote Similarity | NPC327388 |
0.6939 | Remote Similarity | NPC316546 |
0.6923 | Remote Similarity | NPC472875 |
0.6912 | Remote Similarity | NPC238425 |
0.6912 | Remote Similarity | NPC472018 |
0.6912 | Remote Similarity | NPC474543 |
0.6909 | Remote Similarity | NPC5413 |
0.6909 | Remote Similarity | NPC149821 |
0.6875 | Remote Similarity | NPC220766 |
0.6866 | Remote Similarity | NPC4299 |
0.6866 | Remote Similarity | NPC318766 |
0.6866 | Remote Similarity | NPC469660 |
0.6866 | Remote Similarity | NPC69462 |
0.6866 | Remote Similarity | NPC67183 |
0.6857 | Remote Similarity | NPC110461 |
0.6857 | Remote Similarity | NPC471726 |
0.6857 | Remote Similarity | NPC123360 |
0.6857 | Remote Similarity | NPC235906 |
0.6857 | Remote Similarity | NPC12740 |
0.6857 | Remote Similarity | NPC472967 |
0.6857 | Remote Similarity | NPC61863 |
0.6857 | Remote Similarity | NPC472959 |
0.6857 | Remote Similarity | NPC474527 |
0.6857 | Remote Similarity | NPC266159 |
0.6852 | Remote Similarity | NPC8610 |
0.6852 | Remote Similarity | NPC262558 |
0.6833 | Remote Similarity | NPC323597 |
0.6833 | Remote Similarity | NPC211752 |
0.6833 | Remote Similarity | NPC323498 |
0.6825 | Remote Similarity | NPC322457 |
0.6818 | Remote Similarity | NPC209327 |
0.6818 | Remote Similarity | NPC273508 |
0.6812 | Remote Similarity | NPC160540 |
0.6792 | Remote Similarity | NPC312547 |
0.6786 | Remote Similarity | NPC224227 |
0.678 | Remote Similarity | NPC223604 |
0.678 | Remote Similarity | NPC228473 |
0.6774 | Remote Similarity | NPC229252 |
0.6774 | Remote Similarity | NPC143857 |
0.6774 | Remote Similarity | NPC79756 |
0.6769 | Remote Similarity | NPC191233 |
0.6769 | Remote Similarity | NPC248125 |
0.6769 | Remote Similarity | NPC315115 |
0.6765 | Remote Similarity | NPC257618 |
0.6765 | Remote Similarity | NPC126061 |
0.6765 | Remote Similarity | NPC477087 |
0.6765 | Remote Similarity | NPC477086 |
0.6765 | Remote Similarity | NPC477084 |
0.6765 | Remote Similarity | NPC472254 |
0.6761 | Remote Similarity | NPC65603 |
0.6761 | Remote Similarity | NPC141789 |
0.6761 | Remote Similarity | NPC195785 |
0.6761 | Remote Similarity | NPC7563 |
0.6761 | Remote Similarity | NPC97516 |
0.6761 | Remote Similarity | NPC187568 |
0.6761 | Remote Similarity | NPC171204 |
0.6761 | Remote Similarity | NPC57744 |
0.6761 | Remote Similarity | NPC320630 |
0.6761 | Remote Similarity | NPC470240 |
0.6761 | Remote Similarity | NPC474760 |
0.6761 | Remote Similarity | NPC41780 |
0.6761 | Remote Similarity | NPC15975 |
0.6761 | Remote Similarity | NPC476028 |
0.6761 | Remote Similarity | NPC476794 |
0.6761 | Remote Similarity | NPC116177 |
0.6761 | Remote Similarity | NPC107668 |
0.6727 | Remote Similarity | NPC216130 |
0.6727 | Remote Similarity | NPC207292 |
0.6727 | Remote Similarity | NPC91495 |
0.6719 | Remote Similarity | NPC329698 |
0.6716 | Remote Similarity | NPC477449 |
0.6716 | Remote Similarity | NPC477448 |
0.6716 | Remote Similarity | NPC261398 |
0.6716 | Remote Similarity | NPC476591 |
0.6716 | Remote Similarity | NPC232812 |
0.6716 | Remote Similarity | NPC88877 |
0.6714 | Remote Similarity | NPC255060 |
0.6714 | Remote Similarity | NPC228978 |
0.6667 | Remote Similarity | NPC196653 |
0.6667 | Remote Similarity | NPC473357 |
0.6667 | Remote Similarity | NPC172042 |
0.6667 | Remote Similarity | NPC262968 |
0.6667 | Remote Similarity | NPC28205 |
0.6667 | Remote Similarity | NPC253749 |
0.6667 | Remote Similarity | NPC4827 |
0.6667 | Remote Similarity | NPC294304 |
0.6667 | Remote Similarity | NPC193029 |
0.6667 | Remote Similarity | NPC270706 |
0.6667 | Remote Similarity | NPC125312 |
0.6667 | Remote Similarity | NPC167145 |
0.6667 | Remote Similarity | NPC474341 |
0.6667 | Remote Similarity | NPC155872 |
0.6667 | Remote Similarity | NPC472956 |
0.6667 | Remote Similarity | NPC308301 |
0.6667 | Remote Similarity | NPC151648 |
0.6667 | Remote Similarity | NPC117572 |
0.6667 | Remote Similarity | NPC113293 |
0.6667 | Remote Similarity | NPC93763 |
0.6667 | Remote Similarity | NPC178586 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC170167 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 |
---|---|---|---|
0.7692 | Intermediate Similarity | NPD5343 | Approved |
0.7593 | Intermediate Similarity | NPD6927 | Phase 3 |
0.7451 | Intermediate Similarity | NPD6096 | Approved |
0.7451 | Intermediate Similarity | NPD6097 | Approved |
0.7308 | Intermediate Similarity | NPD3174 | Discontinued |
0.7143 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.6909 | Remote Similarity | NPD3173 | Approved |
0.6714 | Remote Similarity | NPD8039 | Approved |
0.6667 | Remote Similarity | NPD4222 | Approved |
0.6667 | Remote Similarity | NPD28 | Approved |
0.6667 | Remote Similarity | NPD39 | Approved |
0.6667 | Remote Similarity | NPD29 | Approved |
0.6462 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6452 | Remote Similarity | NPD6109 | Phase 1 |
0.6441 | Remote Similarity | NPD3172 | Approved |
0.6333 | Remote Similarity | NPD4266 | Approved |
0.6333 | Remote Similarity | NPD3194 | Approved |
0.6333 | Remote Similarity | NPD3196 | Approved |
0.6333 | Remote Similarity | NPD3195 | Phase 2 |
0.6316 | Remote Similarity | NPD5209 | Approved |
0.6316 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD5326 | Phase 3 |
0.6267 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD7154 | Phase 3 |
0.623 | Remote Similarity | NPD342 | Phase 1 |
0.6154 | Remote Similarity | NPD5783 | Phase 3 |
0.6104 | Remote Similarity | NPD6435 | Approved |
0.6078 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6026 | Remote Similarity | NPD5362 | Discontinued |
0.6 | Remote Similarity | NPD5330 | Approved |
0.6 | Remote Similarity | NPD4268 | Approved |
0.6 | Remote Similarity | NPD6409 | Approved |
0.6 | Remote Similarity | NPD7334 | Approved |
0.6 | Remote Similarity | NPD7146 | Approved |
0.6 | Remote Similarity | NPD6684 | Approved |
0.6 | Remote Similarity | NPD7521 | Approved |
0.6 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4271 | Approved |
0.6 | Remote Similarity | NPD6422 | Discontinued |
0.6 | Remote Similarity | NPD9447 | Approved |
0.5974 | Remote Similarity | NPD5369 | Approved |
0.597 | Remote Similarity | NPD3197 | Phase 1 |
0.5909 | Remote Similarity | NPD368 | Approved |
0.5875 | Remote Similarity | NPD1694 | Approved |
0.5862 | Remote Similarity | NPD2266 | Phase 2 |
0.5862 | Remote Similarity | NPD622 | Approved |
0.5854 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD6903 | Approved |
0.5854 | Remote Similarity | NPD6672 | Approved |
0.5854 | Remote Similarity | NPD5737 | Approved |
0.5849 | Remote Similarity | NPD77 | Approved |
0.5849 | Remote Similarity | NPD9450 | Approved |
0.5844 | Remote Similarity | NPD4820 | Approved |
0.5844 | Remote Similarity | NPD4821 | Approved |
0.5844 | Remote Similarity | NPD4819 | Approved |
0.5844 | Remote Similarity | NPD4252 | Approved |
0.5844 | Remote Similarity | NPD5368 | Approved |
0.5844 | Remote Similarity | NPD4822 | Approved |
0.5823 | Remote Similarity | NPD5332 | Approved |
0.5823 | Remote Similarity | NPD5331 | Approved |
0.5806 | Remote Similarity | NPD9298 | Approved |
0.5802 | Remote Similarity | NPD4249 | Approved |
0.5797 | Remote Similarity | NPD7331 | Phase 2 |
0.5789 | Remote Similarity | NPD4265 | Approved |
0.5783 | Remote Similarity | NPD1695 | Approved |
0.5783 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5783 | Remote Similarity | NPD6101 | Approved |
0.5781 | Remote Similarity | NPD8779 | Phase 3 |
0.5769 | Remote Similarity | NPD4790 | Discontinued |
0.5769 | Remote Similarity | NPD319 | Phase 1 |
0.5763 | Remote Similarity | NPD4220 | Pre-registration |
0.5763 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD1145 | Discontinued |
0.5732 | Remote Similarity | NPD4250 | Approved |
0.5732 | Remote Similarity | NPD4251 | Approved |
0.5714 | Remote Similarity | NPD6698 | Approved |
0.5714 | Remote Similarity | NPD3673 | Approved |
0.5714 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD46 | Approved |
0.5714 | Remote Similarity | NPD3672 | Approved |
0.5696 | Remote Similarity | NPD4270 | Approved |
0.5696 | Remote Similarity | NPD4269 | Approved |
0.5672 | Remote Similarity | NPD4193 | Approved |
0.5672 | Remote Similarity | NPD4192 | Approved |
0.5672 | Remote Similarity | NPD4194 | Approved |
0.5672 | Remote Similarity | NPD4191 | Approved |
0.5647 | Remote Similarity | NPD7637 | Suspended |
0.5647 | Remote Similarity | NPD7983 | Approved |
0.5647 | Remote Similarity | NPD6411 | Approved |
0.561 | Remote Similarity | NPD5786 | Approved |
0.561 | Remote Similarity | NPD6098 | Approved |
0.56 | Remote Similarity | NPD1452 | Discontinued |
PubChem CID   | 8835 |
ChEMBL   | CHEMBL3185221 |
ZINC   |
Molecular Weight:   | 226.19 |
ALogP:   | 1.6314 |
MLogP:   | 2.78 |
XLogP:   | 4.848 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |