Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3189 | Polypodium japonicum | Species | Polypodiidae | Eukaryota | UNPD* | |||
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | UNPD* | |||
NPO9325 | Dalbergia volubilis | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO29572 | Eriocauli flos | NA | NA | NA | TCMSP* | |||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO11889 | Dendrobium chrysanthum | Species | Orchidaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT20 | Organism | Candida albicans | Candida albicans | IC50 | > | 100 | ug/ml | 11958988 |
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 NPC128280 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 | NPC270706 |
0.9111 | High Similarity | NPC197467 |
0.8936 | High Similarity | NPC236338 |
0.8889 | High Similarity | NPC26600 |
0.8889 | High Similarity | NPC47946 |
0.8333 | Intermediate Similarity | NPC135698 |
0.8298 | Intermediate Similarity | NPC308331 |
0.8261 | Intermediate Similarity | NPC304079 |
0.8261 | Intermediate Similarity | NPC12907 |
0.8261 | Intermediate Similarity | NPC6963 |
0.8235 | Intermediate Similarity | NPC478120 |
0.8163 | Intermediate Similarity | NPC15789 |
0.8113 | Intermediate Similarity | NPC129150 |
0.8113 | Intermediate Similarity | NPC135863 |
0.8113 | Intermediate Similarity | NPC293437 |
0.8113 | Intermediate Similarity | NPC294938 |
0.8113 | Intermediate Similarity | NPC249850 |
0.7963 | Intermediate Similarity | NPC254095 |
0.7963 | Intermediate Similarity | NPC223679 |
0.7963 | Intermediate Similarity | NPC21946 |
0.7826 | Intermediate Similarity | NPC57923 |
0.7818 | Intermediate Similarity | NPC82465 |
0.7736 | Intermediate Similarity | NPC478117 |
0.7679 | Intermediate Similarity | NPC79756 |
0.76 | Intermediate Similarity | NPC15912 |
0.7593 | Intermediate Similarity | NPC245002 |
0.7593 | Intermediate Similarity | NPC96663 |
0.7547 | Intermediate Similarity | NPC151761 |
0.7547 | Intermediate Similarity | NPC159535 |
0.7544 | Intermediate Similarity | NPC151648 |
0.75 | Intermediate Similarity | NPC286189 |
0.75 | Intermediate Similarity | NPC106531 |
0.7451 | Intermediate Similarity | NPC27264 |
0.7414 | Intermediate Similarity | NPC44343 |
0.7414 | Intermediate Similarity | NPC155849 |
0.7414 | Intermediate Similarity | NPC210303 |
0.7414 | Intermediate Similarity | NPC217940 |
0.7414 | Intermediate Similarity | NPC68110 |
0.7414 | Intermediate Similarity | NPC179087 |
0.7308 | Intermediate Similarity | NPC148056 |
0.7273 | Intermediate Similarity | NPC221763 |
0.7255 | Intermediate Similarity | NPC91765 |
0.7255 | Intermediate Similarity | NPC234084 |
0.7222 | Intermediate Similarity | NPC269615 |
0.717 | Intermediate Similarity | NPC191643 |
0.717 | Intermediate Similarity | NPC151919 |
0.7167 | Intermediate Similarity | NPC220766 |
0.7167 | Intermediate Similarity | NPC282760 |
0.7115 | Intermediate Similarity | NPC275316 |
0.7091 | Intermediate Similarity | NPC173157 |
0.7091 | Intermediate Similarity | NPC474913 |
0.7069 | Intermediate Similarity | NPC26223 |
0.7049 | Intermediate Similarity | NPC185587 |
0.7049 | Intermediate Similarity | NPC191233 |
0.7049 | Intermediate Similarity | NPC248125 |
0.7037 | Intermediate Similarity | NPC477780 |
0.7037 | Intermediate Similarity | NPC477781 |
0.7021 | Intermediate Similarity | NPC18205 |
0.7021 | Intermediate Similarity | NPC297608 |
0.7021 | Intermediate Similarity | NPC12319 |
0.7018 | Intermediate Similarity | NPC474084 |
0.6981 | Remote Similarity | NPC43053 |
0.6964 | Remote Similarity | NPC150717 |
0.6949 | Remote Similarity | NPC55376 |
0.6949 | Remote Similarity | NPC26810 |
0.6935 | Remote Similarity | NPC203335 |
0.6935 | Remote Similarity | NPC225272 |
0.6935 | Remote Similarity | NPC472266 |
0.6909 | Remote Similarity | NPC218486 |
0.6909 | Remote Similarity | NPC474127 |
0.6897 | Remote Similarity | NPC159650 |
0.6897 | Remote Similarity | NPC133600 |
0.6897 | Remote Similarity | NPC22897 |
0.6885 | Remote Similarity | NPC133904 |
0.6885 | Remote Similarity | NPC471565 |
0.6885 | Remote Similarity | NPC471556 |
0.6885 | Remote Similarity | NPC471566 |
0.6885 | Remote Similarity | NPC182794 |
0.6885 | Remote Similarity | NPC470688 |
0.6875 | Remote Similarity | NPC221250 |
0.6842 | Remote Similarity | NPC265551 |
0.6842 | Remote Similarity | NPC283502 |
0.6842 | Remote Similarity | NPC471279 |
0.6842 | Remote Similarity | NPC212730 |
0.6842 | Remote Similarity | NPC471277 |
0.6833 | Remote Similarity | NPC473737 |
0.6833 | Remote Similarity | NPC474658 |
0.6825 | Remote Similarity | NPC218477 |
0.6825 | Remote Similarity | NPC276290 |
0.6825 | Remote Similarity | NPC470256 |
0.68 | Remote Similarity | NPC477686 |
0.6792 | Remote Similarity | NPC289388 |
0.6786 | Remote Similarity | NPC49028 |
0.678 | Remote Similarity | NPC19241 |
0.678 | Remote Similarity | NPC309408 |
0.6735 | Remote Similarity | NPC187922 |
0.6724 | Remote Similarity | NPC478096 |
0.6721 | Remote Similarity | NPC148233 |
0.6721 | Remote Similarity | NPC226066 |
0.6721 | Remote Similarity | NPC25747 |
0.6721 | Remote Similarity | NPC34883 |
0.6721 | Remote Similarity | NPC329698 |
0.6721 | Remote Similarity | NPC308457 |
0.6719 | Remote Similarity | NPC476591 |
0.6719 | Remote Similarity | NPC151481 |
0.6719 | Remote Similarity | NPC470693 |
0.6719 | Remote Similarity | NPC88877 |
0.6719 | Remote Similarity | NPC232812 |
0.6667 | Remote Similarity | NPC281043 |
0.6667 | Remote Similarity | NPC244452 |
0.6667 | Remote Similarity | NPC8270 |
0.6667 | Remote Similarity | NPC250954 |
0.6667 | Remote Similarity | NPC15193 |
0.6667 | Remote Similarity | NPC86948 |
0.6667 | Remote Similarity | NPC123357 |
0.6667 | Remote Similarity | NPC191337 |
0.6667 | Remote Similarity | NPC194871 |
0.6615 | Remote Similarity | NPC37929 |
0.6615 | Remote Similarity | NPC59558 |
0.6615 | Remote Similarity | NPC469660 |
0.6615 | Remote Similarity | NPC64234 |
0.6613 | Remote Similarity | NPC470123 |
0.6613 | Remote Similarity | NPC273600 |
0.6613 | Remote Similarity | NPC131174 |
0.661 | Remote Similarity | NPC478095 |
0.661 | Remote Similarity | NPC222852 |
0.661 | Remote Similarity | NPC97570 |
0.661 | Remote Similarity | NPC474267 |
0.6604 | Remote Similarity | NPC207815 |
0.6604 | Remote Similarity | NPC267110 |
0.66 | Remote Similarity | NPC116934 |
0.6596 | Remote Similarity | NPC180840 |
0.6596 | Remote Similarity | NPC226511 |
0.6562 | Remote Similarity | NPC474823 |
0.6562 | Remote Similarity | NPC310210 |
0.6557 | Remote Similarity | NPC475073 |
0.6557 | Remote Similarity | NPC2328 |
0.6557 | Remote Similarity | NPC132243 |
0.6545 | Remote Similarity | NPC216407 |
0.6545 | Remote Similarity | NPC170167 |
0.6538 | Remote Similarity | NPC87137 |
0.6538 | Remote Similarity | NPC262558 |
0.6538 | Remote Similarity | NPC8610 |
0.6531 | Remote Similarity | NPC269823 |
0.6522 | Remote Similarity | NPC308418 |
0.6515 | Remote Similarity | NPC84038 |
0.6515 | Remote Similarity | NPC257618 |
0.6515 | Remote Similarity | NPC181587 |
0.6515 | Remote Similarity | NPC316185 |
0.6515 | Remote Similarity | NPC186531 |
0.6508 | Remote Similarity | NPC124586 |
0.6508 | Remote Similarity | NPC146811 |
0.6508 | Remote Similarity | NPC475675 |
0.6508 | Remote Similarity | NPC315115 |
0.6508 | Remote Similarity | NPC475555 |
0.65 | Remote Similarity | NPC471278 |
0.65 | Remote Similarity | NPC130953 |
0.65 | Remote Similarity | NPC299730 |
0.6481 | Remote Similarity | NPC288381 |
0.6481 | Remote Similarity | NPC225974 |
0.6481 | Remote Similarity | NPC221467 |
0.6481 | Remote Similarity | NPC20934 |
0.6471 | Remote Similarity | NPC312547 |
0.6462 | Remote Similarity | NPC265574 |
0.6462 | Remote Similarity | NPC475004 |
0.6458 | Remote Similarity | NPC255042 |
0.6458 | Remote Similarity | NPC29091 |
0.6458 | Remote Similarity | NPC182840 |
0.6458 | Remote Similarity | NPC103213 |
0.6444 | Remote Similarity | NPC12889 |
0.6441 | Remote Similarity | NPC189700 |
0.6441 | Remote Similarity | NPC471619 |
0.6418 | Remote Similarity | NPC476489 |
0.6418 | Remote Similarity | NPC474705 |
0.6418 | Remote Similarity | NPC16349 |
0.6418 | Remote Similarity | NPC276336 |
0.6418 | Remote Similarity | NPC476490 |
0.6418 | Remote Similarity | NPC222244 |
0.6418 | Remote Similarity | NPC287878 |
0.6406 | Remote Similarity | NPC132286 |
0.6406 | Remote Similarity | NPC21998 |
0.64 | Remote Similarity | NPC213538 |
0.64 | Remote Similarity | NPC256766 |
0.6393 | Remote Similarity | NPC14437 |
0.6393 | Remote Similarity | NPC326645 |
0.6393 | Remote Similarity | NPC317025 |
0.6393 | Remote Similarity | NPC329416 |
0.6393 | Remote Similarity | NPC317177 |
0.6393 | Remote Similarity | NPC270412 |
0.6383 | Remote Similarity | NPC185839 |
0.6379 | Remote Similarity | NPC472808 |
0.6379 | Remote Similarity | NPC324224 |
0.6364 | Remote Similarity | NPC315285 |
0.6364 | Remote Similarity | NPC67183 |
0.6349 | Remote Similarity | NPC96414 |
0.6349 | Remote Similarity | NPC19769 |
0.6346 | Remote Similarity | NPC160628 |
0.6346 | Remote Similarity | NPC117572 |
0.6346 | Remote Similarity | NPC140501 |
0.6333 | Remote Similarity | NPC302564 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC128280 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 |
---|---|---|---|
0.8367 | Intermediate Similarity | NPD6927 | Phase 3 |
0.7959 | Intermediate Similarity | NPD4220 | Pre-registration |
0.7167 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.68 | Remote Similarity | NPD6096 | Approved |
0.68 | Remote Similarity | NPD6097 | Approved |
0.6792 | Remote Similarity | NPD2268 | Discontinued |
0.6739 | Remote Similarity | NPD9115 | Approved |
0.6731 | Remote Similarity | NPD5343 | Approved |
0.6721 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6458 | Remote Similarity | NPD5783 | Phase 3 |
0.6393 | Remote Similarity | NPD9418 | Clinical (unspecified phase) |
0.6393 | Remote Similarity | NPD4192 | Approved |
0.6393 | Remote Similarity | NPD4193 | Approved |
0.6393 | Remote Similarity | NPD4194 | Approved |
0.6393 | Remote Similarity | NPD4191 | Approved |
0.6346 | Remote Similarity | NPD39 | Approved |
0.6346 | Remote Similarity | NPD4222 | Approved |
0.6346 | Remote Similarity | NPD3174 | Discontinued |
0.6346 | Remote Similarity | NPD4265 | Approved |
0.6275 | Remote Similarity | NPD5326 | Phase 3 |
0.6275 | Remote Similarity | NPD9411 | Phase 1 |
0.6 | Remote Similarity | NPD8779 | Phase 3 |
0.6 | Remote Similarity | NPD3173 | Approved |
0.6 | Remote Similarity | NPD1452 | Discontinued |
0.5789 | Remote Similarity | NPD29 | Approved |
0.5789 | Remote Similarity | NPD28 | Approved |
0.5778 | Remote Similarity | NPD9114 | Clinical (unspecified phase) |
0.5775 | Remote Similarity | NPD8039 | Approved |
0.5714 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5658 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5658 | Remote Similarity | NPD5209 | Approved |
0.5645 | Remote Similarity | NPD6109 | Phase 1 |
0.5616 | Remote Similarity | NPD4756 | Discovery |
PubChem CID   | 5275508 |
ChEMBL   | CHEMBL171329 |
ZINC   |
Molecular Weight:   | 250.19 |
ALogP:   | 3.9251 |
MLogP:   | 3 |
XLogP:   | 4.763 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 18 |