Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25825 | Saussurea costus | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO17755 | Inula helenium | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10391 | Dolomiaea souliei | Species | Asteraceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT983 | Protein Complex | Nuclear factor NF-kappa-B complex | Homo sapiens | IC100 | = | 0.05 | nM | 15537359 |
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 NPC295633 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 | NPC269206 |
1.0 | High Similarity | NPC58956 |
0.9571 | High Similarity | NPC235906 |
0.9559 | High Similarity | NPC163003 |
0.9437 | High Similarity | NPC171204 |
0.9437 | High Similarity | NPC476028 |
0.9437 | High Similarity | NPC141789 |
0.9429 | High Similarity | NPC155587 |
0.9306 | High Similarity | NPC471465 |
0.9306 | High Similarity | NPC196653 |
0.9286 | High Similarity | NPC140287 |
0.9286 | High Similarity | NPC476355 |
0.9275 | High Similarity | NPC129665 |
0.9178 | High Similarity | NPC270126 |
0.9178 | High Similarity | NPC98557 |
0.9178 | High Similarity | NPC167881 |
0.9054 | High Similarity | NPC281132 |
0.9028 | High Similarity | NPC123360 |
0.8933 | High Similarity | NPC24417 |
0.8904 | High Similarity | NPC65603 |
0.8904 | High Similarity | NPC7563 |
0.8904 | High Similarity | NPC187568 |
0.8904 | High Similarity | NPC320630 |
0.8904 | High Similarity | NPC41780 |
0.8904 | High Similarity | NPC97516 |
0.8904 | High Similarity | NPC116177 |
0.8889 | High Similarity | NPC193351 |
0.8889 | High Similarity | NPC226669 |
0.8889 | High Similarity | NPC138408 |
0.8816 | High Similarity | NPC229825 |
0.8784 | High Similarity | NPC267231 |
0.8784 | High Similarity | NPC93763 |
0.8784 | High Similarity | NPC108816 |
0.8701 | High Similarity | NPC59097 |
0.8701 | High Similarity | NPC40746 |
0.8701 | High Similarity | NPC169575 |
0.8701 | High Similarity | NPC473390 |
0.8701 | High Similarity | NPC131669 |
0.8696 | High Similarity | NPC194871 |
0.8649 | High Similarity | NPC474760 |
0.8649 | High Similarity | NPC470240 |
0.8649 | High Similarity | NPC476794 |
0.859 | High Similarity | NPC191476 |
0.859 | High Similarity | NPC114979 |
0.859 | High Similarity | NPC158756 |
0.859 | High Similarity | NPC96259 |
0.859 | High Similarity | NPC141193 |
0.859 | High Similarity | NPC476804 |
0.8571 | High Similarity | NPC470256 |
0.8481 | Intermediate Similarity | NPC255307 |
0.8481 | Intermediate Similarity | NPC470755 |
0.8442 | Intermediate Similarity | NPC25684 |
0.8442 | Intermediate Similarity | NPC301477 |
0.8442 | Intermediate Similarity | NPC52861 |
0.8442 | Intermediate Similarity | NPC281949 |
0.8442 | Intermediate Similarity | NPC141810 |
0.8421 | Intermediate Similarity | NPC89128 |
0.8421 | Intermediate Similarity | NPC264227 |
0.8421 | Intermediate Similarity | NPC178277 |
0.8421 | Intermediate Similarity | NPC617 |
0.8421 | Intermediate Similarity | NPC470239 |
0.8421 | Intermediate Similarity | NPC470244 |
0.8421 | Intermediate Similarity | NPC182550 |
0.8421 | Intermediate Similarity | NPC472965 |
0.8421 | Intermediate Similarity | NPC63649 |
0.84 | Intermediate Similarity | NPC57744 |
0.8375 | Intermediate Similarity | NPC469910 |
0.8375 | Intermediate Similarity | NPC475461 |
0.8375 | Intermediate Similarity | NPC50637 |
0.8375 | Intermediate Similarity | NPC305475 |
0.8333 | Intermediate Similarity | NPC173609 |
0.8312 | Intermediate Similarity | NPC276356 |
0.8312 | Intermediate Similarity | NPC302426 |
0.8289 | Intermediate Similarity | NPC472960 |
0.8289 | Intermediate Similarity | NPC128276 |
0.8272 | Intermediate Similarity | NPC266957 |
0.8267 | Intermediate Similarity | NPC68819 |
0.825 | Intermediate Similarity | NPC50362 |
0.825 | Intermediate Similarity | NPC38468 |
0.825 | Intermediate Similarity | NPC319795 |
0.8228 | Intermediate Similarity | NPC250315 |
0.8228 | Intermediate Similarity | NPC474703 |
0.8228 | Intermediate Similarity | NPC318468 |
0.8205 | Intermediate Similarity | NPC471325 |
0.8171 | Intermediate Similarity | NPC473715 |
0.8171 | Intermediate Similarity | NPC476805 |
0.8171 | Intermediate Similarity | NPC475819 |
0.8171 | Intermediate Similarity | NPC476803 |
0.8148 | Intermediate Similarity | NPC150755 |
0.8116 | Intermediate Similarity | NPC474658 |
0.8101 | Intermediate Similarity | NPC178676 |
0.8082 | Intermediate Similarity | NPC472955 |
0.8077 | Intermediate Similarity | NPC223904 |
0.8077 | Intermediate Similarity | NPC69271 |
0.8077 | Intermediate Similarity | NPC74673 |
0.8072 | Intermediate Similarity | NPC474032 |
0.8072 | Intermediate Similarity | NPC166919 |
0.8056 | Intermediate Similarity | NPC218477 |
0.8052 | Intermediate Similarity | NPC299235 |
0.8025 | Intermediate Similarity | NPC215364 |
0.8025 | Intermediate Similarity | NPC165162 |
0.8025 | Intermediate Similarity | NPC21469 |
0.8 | Intermediate Similarity | NPC215294 |
0.8 | Intermediate Similarity | NPC39588 |
0.8 | Intermediate Similarity | NPC116543 |
0.8 | Intermediate Similarity | NPC475947 |
0.8 | Intermediate Similarity | NPC272814 |
0.8 | Intermediate Similarity | NPC15499 |
0.8 | Intermediate Similarity | NPC294434 |
0.8 | Intermediate Similarity | NPC117746 |
0.8 | Intermediate Similarity | NPC259599 |
0.7976 | Intermediate Similarity | NPC474232 |
0.7976 | Intermediate Similarity | NPC179394 |
0.7976 | Intermediate Similarity | NPC475855 |
0.7976 | Intermediate Similarity | NPC144133 |
0.7976 | Intermediate Similarity | NPC473619 |
0.7976 | Intermediate Similarity | NPC469368 |
0.7975 | Intermediate Similarity | NPC325031 |
0.7975 | Intermediate Similarity | NPC10276 |
0.7975 | Intermediate Similarity | NPC35089 |
0.7975 | Intermediate Similarity | NPC42470 |
0.7945 | Intermediate Similarity | NPC144511 |
0.7945 | Intermediate Similarity | NPC476591 |
0.7945 | Intermediate Similarity | NPC199557 |
0.7945 | Intermediate Similarity | NPC88877 |
0.7945 | Intermediate Similarity | NPC296522 |
0.7927 | Intermediate Similarity | NPC107787 |
0.7927 | Intermediate Similarity | NPC284902 |
0.7901 | Intermediate Similarity | NPC115786 |
0.7901 | Intermediate Similarity | NPC159635 |
0.7882 | Intermediate Similarity | NPC473321 |
0.7875 | Intermediate Similarity | NPC85772 |
0.7875 | Intermediate Similarity | NPC89555 |
0.7867 | Intermediate Similarity | NPC472956 |
0.7857 | Intermediate Similarity | NPC151770 |
0.7838 | Intermediate Similarity | NPC67183 |
0.7831 | Intermediate Similarity | NPC475703 |
0.7831 | Intermediate Similarity | NPC231889 |
0.7831 | Intermediate Similarity | NPC160138 |
0.7805 | Intermediate Similarity | NPC78089 |
0.7805 | Intermediate Similarity | NPC21471 |
0.7805 | Intermediate Similarity | NPC110405 |
0.7805 | Intermediate Similarity | NPC161957 |
0.7805 | Intermediate Similarity | NPC33570 |
0.7792 | Intermediate Similarity | NPC472967 |
0.7792 | Intermediate Similarity | NPC266159 |
0.7792 | Intermediate Similarity | NPC472959 |
0.7791 | Intermediate Similarity | NPC162205 |
0.7791 | Intermediate Similarity | NPC273579 |
0.7791 | Intermediate Similarity | NPC228451 |
0.7791 | Intermediate Similarity | NPC125674 |
0.7791 | Intermediate Similarity | NPC475302 |
0.7791 | Intermediate Similarity | NPC295204 |
0.7791 | Intermediate Similarity | NPC165383 |
0.7791 | Intermediate Similarity | NPC475838 |
0.7791 | Intermediate Similarity | NPC288240 |
0.7778 | Intermediate Similarity | NPC170286 |
0.7778 | Intermediate Similarity | NPC22611 |
0.7778 | Intermediate Similarity | NPC248125 |
0.7765 | Intermediate Similarity | NPC312042 |
0.7765 | Intermediate Similarity | NPC251385 |
0.7765 | Intermediate Similarity | NPC49342 |
0.7763 | Intermediate Similarity | NPC320537 |
0.7763 | Intermediate Similarity | NPC474758 |
0.7763 | Intermediate Similarity | NPC143979 |
0.7763 | Intermediate Similarity | NPC48641 |
0.7733 | Intermediate Similarity | NPC84038 |
0.7733 | Intermediate Similarity | NPC186531 |
0.7722 | Intermediate Similarity | NPC473981 |
0.7722 | Intermediate Similarity | NPC473980 |
0.7711 | Intermediate Similarity | NPC279859 |
0.7711 | Intermediate Similarity | NPC38576 |
0.7701 | Intermediate Similarity | NPC140543 |
0.7701 | Intermediate Similarity | NPC57405 |
0.7701 | Intermediate Similarity | NPC303942 |
0.7701 | Intermediate Similarity | NPC471147 |
0.7701 | Intermediate Similarity | NPC473316 |
0.7701 | Intermediate Similarity | NPC474247 |
0.7701 | Intermediate Similarity | NPC473330 |
0.7692 | Intermediate Similarity | NPC53581 |
0.7692 | Intermediate Similarity | NPC195785 |
0.7692 | Intermediate Similarity | NPC15975 |
0.7692 | Intermediate Similarity | NPC103987 |
0.7683 | Intermediate Similarity | NPC156485 |
0.7681 | Intermediate Similarity | NPC286189 |
0.7671 | Intermediate Similarity | NPC472266 |
0.7671 | Intermediate Similarity | NPC21998 |
0.7662 | Intermediate Similarity | NPC324762 |
0.7662 | Intermediate Similarity | NPC329852 |
0.7662 | Intermediate Similarity | NPC244166 |
0.7654 | Intermediate Similarity | NPC35556 |
0.7654 | Intermediate Similarity | NPC475690 |
0.7647 | Intermediate Similarity | NPC295312 |
0.7647 | Intermediate Similarity | NPC268298 |
0.7632 | Intermediate Similarity | NPC474705 |
0.7632 | Intermediate Similarity | NPC135703 |
0.7625 | Intermediate Similarity | NPC195424 |
0.7614 | Intermediate Similarity | NPC477922 |
0.7614 | Intermediate Similarity | NPC471141 |
0.7614 | Intermediate Similarity | NPC475659 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC295633 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 |
---|---|---|---|
0.825 | Intermediate Similarity | NPD1733 | Clinical (unspecified phase) |
0.759 | Intermediate Similarity | NPD1694 | Approved |
0.7442 | Intermediate Similarity | NPD1695 | Approved |
0.7229 | Intermediate Similarity | NPD4752 | Clinical (unspecified phase) |
0.7162 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.7033 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.7024 | Intermediate Similarity | NPD5209 | Approved |
0.7 | Intermediate Similarity | NPD8039 | Approved |
0.6966 | Remote Similarity | NPD5785 | Approved |
0.6941 | Remote Similarity | NPD7154 | Phase 3 |
0.6782 | Remote Similarity | NPD5363 | Approved |
0.6778 | Remote Similarity | NPD46 | Approved |
0.6778 | Remote Similarity | NPD6698 | Approved |
0.6744 | Remote Similarity | NPD5362 | Discontinued |
0.6628 | Remote Similarity | NPD4270 | Approved |
0.6628 | Remote Similarity | NPD4269 | Approved |
0.6591 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6588 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6588 | Remote Similarity | NPD4252 | Approved |
0.6522 | Remote Similarity | NPD6927 | Phase 3 |
0.6517 | Remote Similarity | NPD5786 | Approved |
0.6512 | Remote Similarity | NPD5369 | Approved |
0.65 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6458 | Remote Similarity | NPD4225 | Approved |
0.6353 | Remote Similarity | NPD4268 | Approved |
0.6353 | Remote Similarity | NPD4271 | Approved |
0.6353 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6333 | Remote Similarity | NPD7521 | Approved |
0.6333 | Remote Similarity | NPD4249 | Approved |
0.6333 | Remote Similarity | NPD6684 | Approved |
0.6333 | Remote Similarity | NPD5330 | Approved |
0.6333 | Remote Similarity | NPD7334 | Approved |
0.6333 | Remote Similarity | NPD7146 | Approved |
0.6333 | Remote Similarity | NPD6409 | Approved |
0.6264 | Remote Similarity | NPD4251 | Approved |
0.6264 | Remote Similarity | NPD4250 | Approved |
0.625 | Remote Similarity | NPD6435 | Approved |
0.6237 | Remote Similarity | NPD7838 | Discovery |
0.6235 | Remote Similarity | NPD4756 | Discovery |
0.6207 | Remote Similarity | NPD4820 | Approved |
0.6207 | Remote Similarity | NPD4821 | Approved |
0.6207 | Remote Similarity | NPD4819 | Approved |
0.6207 | Remote Similarity | NPD4822 | Approved |
0.6196 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6196 | Remote Similarity | NPD6903 | Approved |
0.618 | Remote Similarity | NPD5331 | Approved |
0.618 | Remote Similarity | NPD5332 | Approved |
0.617 | Remote Similarity | NPD7983 | Approved |
0.6154 | Remote Similarity | NPD6371 | Approved |
0.6154 | Remote Similarity | NPD6422 | Discontinued |
0.6136 | Remote Similarity | NPD4790 | Discontinued |
0.6129 | Remote Similarity | NPD5370 | Suspended |
0.6122 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6105 | Remote Similarity | NPD6399 | Phase 3 |
0.6105 | Remote Similarity | NPD5779 | Approved |
0.6105 | Remote Similarity | NPD5778 | Approved |
0.6095 | Remote Similarity | NPD2181 | Clinical (unspecified phase) |
0.6056 | Remote Similarity | NPD28 | Approved |
0.6056 | Remote Similarity | NPD29 | Approved |
0.6027 | Remote Similarity | NPD9298 | Approved |
0.6023 | Remote Similarity | NPD5368 | Approved |
0.6022 | Remote Similarity | NPD5737 | Approved |
0.6022 | Remote Similarity | NPD6672 | Approved |
0.6 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5693 | Phase 1 |
0.5974 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5962 | Remote Similarity | NPD6686 | Approved |
0.596 | Remote Similarity | NPD7638 | Approved |
0.5957 | Remote Similarity | NPD6101 | Approved |
0.5957 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5949 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5949 | Remote Similarity | NPD3197 | Phase 1 |
0.5943 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5934 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD7839 | Suspended |
0.59 | Remote Similarity | NPD7640 | Approved |
0.59 | Remote Similarity | NPD7639 | Approved |
0.5895 | Remote Similarity | NPD5207 | Approved |
0.589 | Remote Similarity | NPD3172 | Approved |
0.5876 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.5876 | Remote Similarity | NPD7900 | Approved |
0.5876 | Remote Similarity | NPD5282 | Discontinued |
0.5857 | Remote Similarity | NPD5343 | Approved |
0.5849 | Remote Similarity | NPD2067 | Discontinued |
0.5833 | Remote Similarity | NPD6411 | Approved |
0.5818 | Remote Similarity | NPD7115 | Discovery |
0.5816 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5811 | Remote Similarity | NPD3194 | Approved |
0.5811 | Remote Similarity | NPD3196 | Approved |
0.5811 | Remote Similarity | NPD3195 | Phase 2 |
0.5811 | Remote Similarity | NPD4266 | Approved |
0.5802 | Remote Similarity | NPD7331 | Phase 2 |
0.5797 | Remote Similarity | NPD3174 | Discontinued |
0.5789 | Remote Similarity | NPD6051 | Approved |
0.5769 | Remote Similarity | NPD6008 | Approved |
0.5758 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD3573 | Approved |
0.5741 | Remote Similarity | NPD6053 | Discontinued |
0.5732 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD7748 | Approved |
0.5714 | Remote Similarity | NPD6001 | Approved |
0.5714 | Remote Similarity | NPD3667 | Approved |
0.57 | Remote Similarity | NPD7902 | Approved |
0.5684 | Remote Similarity | NPD5208 | Approved |
0.567 | Remote Similarity | NPD7637 | Suspended |
0.5657 | Remote Similarity | NPD5695 | Phase 3 |
0.5644 | Remote Similarity | NPD5696 | Approved |
0.5638 | Remote Similarity | NPD3618 | Phase 1 |
0.5638 | Remote Similarity | NPD6098 | Approved |
0.5632 | Remote Similarity | NPD1452 | Discontinued |
0.5625 | Remote Similarity | NPD6080 | Approved |
0.5625 | Remote Similarity | NPD6904 | Approved |
0.5625 | Remote Similarity | NPD6673 | Approved |
0.5625 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.5607 | Remote Similarity | NPD2182 | Approved |
PubChem CID   | 5458201 |
ChEMBL   | CHEMBL190377 |
ZINC   |
Molecular Weight:   | 232.15 |
ALogP:   | 2.5287 |
MLogP:   | 2.89 |
XLogP:   | 3.308 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 17 |