Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | IC50 | = | 5.55 | ug/ml | 22620987 |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | IC90 | = | 14.88 | ug/ml | 22620987 |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI | = | 42.4 | % | Open TG-GATES in vivo data: Hematology |
NPT1970 | Cell Line | THP-1 | Homo sapiens | GI | = | 8.18 | % | Open TG-GATES in vivo data: Hematology |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI | = | 28.98 | % | Open TG-GATES in vivo data: Hematology |
NPT1107 | Organism | Mycobacterium smegmatis str. MC2 155 | Mycobacterium smegmatis str. MC2 155 | Inhibition | = | 47.83 | % | 19884366 |
NPT1970 | Cell Line | THP-1 | Homo sapiens | GI | = | 21.74 | % | 25856683 |
NPT65 | Cell Line | HepG2 | Homo sapiens | GI | = | 6.92 | % | DrugMatrix in vivo data: Biochemistry |
NPT65 | Cell Line | HepG2 | Homo sapiens | GI | = | 14.43 | % | 22705001 |
NPT19 | Organism | Escherichia coli | Escherichia coli | GI | = | 23.15 | % | 11858752 |
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 NPC107963 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 |
---|---|---|
0.8974 | High Similarity | NPC18953 |
0.8684 | High Similarity | NPC177343 |
0.8642 | High Similarity | NPC62202 |
0.8642 | High Similarity | NPC110365 |
0.8642 | High Similarity | NPC213658 |
0.8642 | High Similarity | NPC45833 |
0.8537 | High Similarity | NPC470872 |
0.8462 | Intermediate Similarity | NPC186588 |
0.8462 | Intermediate Similarity | NPC471216 |
0.8462 | Intermediate Similarity | NPC471217 |
0.8395 | Intermediate Similarity | NPC235402 |
0.8354 | Intermediate Similarity | NPC71541 |
0.8293 | Intermediate Similarity | NPC471411 |
0.8293 | Intermediate Similarity | NPC471410 |
0.8293 | Intermediate Similarity | NPC268633 |
0.8289 | Intermediate Similarity | NPC472952 |
0.8289 | Intermediate Similarity | NPC472950 |
0.8214 | Intermediate Similarity | NPC82955 |
0.8205 | Intermediate Similarity | NPC272841 |
0.8193 | Intermediate Similarity | NPC210658 |
0.8193 | Intermediate Similarity | NPC161928 |
0.8171 | Intermediate Similarity | NPC290612 |
0.8158 | Intermediate Similarity | NPC308489 |
0.8148 | Intermediate Similarity | NPC241959 |
0.814 | Intermediate Similarity | NPC475307 |
0.8095 | Intermediate Similarity | NPC128475 |
0.8072 | Intermediate Similarity | NPC107603 |
0.8025 | Intermediate Similarity | NPC2096 |
0.8025 | Intermediate Similarity | NPC208912 |
0.8025 | Intermediate Similarity | NPC470611 |
0.8023 | Intermediate Similarity | NPC210759 |
0.8023 | Intermediate Similarity | NPC307167 |
0.8023 | Intermediate Similarity | NPC229801 |
0.8023 | Intermediate Similarity | NPC59006 |
0.8 | Intermediate Similarity | NPC20822 |
0.8 | Intermediate Similarity | NPC472951 |
0.8 | Intermediate Similarity | NPC472943 |
0.7976 | Intermediate Similarity | NPC472396 |
0.7976 | Intermediate Similarity | NPC140446 |
0.7976 | Intermediate Similarity | NPC43912 |
0.7955 | Intermediate Similarity | NPC21897 |
0.7931 | Intermediate Similarity | NPC311246 |
0.7931 | Intermediate Similarity | NPC167644 |
0.7927 | Intermediate Similarity | NPC470070 |
0.7927 | Intermediate Similarity | NPC474284 |
0.7927 | Intermediate Similarity | NPC475820 |
0.7927 | Intermediate Similarity | NPC213737 |
0.7927 | Intermediate Similarity | NPC474346 |
0.7927 | Intermediate Similarity | NPC474253 |
0.7922 | Intermediate Similarity | NPC470151 |
0.7907 | Intermediate Similarity | NPC473542 |
0.7875 | Intermediate Similarity | NPC81074 |
0.7875 | Intermediate Similarity | NPC477282 |
0.7857 | Intermediate Similarity | NPC474008 |
0.7848 | Intermediate Similarity | NPC474574 |
0.7848 | Intermediate Similarity | NPC11907 |
0.7848 | Intermediate Similarity | NPC64081 |
0.7848 | Intermediate Similarity | NPC133596 |
0.7841 | Intermediate Similarity | NPC113500 |
0.7841 | Intermediate Similarity | NPC175 |
0.7841 | Intermediate Similarity | NPC3538 |
0.7841 | Intermediate Similarity | NPC252253 |
0.7841 | Intermediate Similarity | NPC30687 |
0.7841 | Intermediate Similarity | NPC477224 |
0.7841 | Intermediate Similarity | NPC305418 |
0.7841 | Intermediate Similarity | NPC45959 |
0.7831 | Intermediate Similarity | NPC474156 |
0.7821 | Intermediate Similarity | NPC270306 |
0.7821 | Intermediate Similarity | NPC231680 |
0.7821 | Intermediate Similarity | NPC91387 |
0.7816 | Intermediate Similarity | NPC5632 |
0.7816 | Intermediate Similarity | NPC149966 |
0.7805 | Intermediate Similarity | NPC477446 |
0.7805 | Intermediate Similarity | NPC477447 |
0.7805 | Intermediate Similarity | NPC470155 |
0.7791 | Intermediate Similarity | NPC131466 |
0.7763 | Intermediate Similarity | NPC471879 |
0.7753 | Intermediate Similarity | NPC473067 |
0.7753 | Intermediate Similarity | NPC473065 |
0.7753 | Intermediate Similarity | NPC473064 |
0.775 | Intermediate Similarity | NPC477577 |
0.7727 | Intermediate Similarity | NPC149400 |
0.7727 | Intermediate Similarity | NPC171741 |
0.7727 | Intermediate Similarity | NPC211845 |
0.7727 | Intermediate Similarity | NPC323231 |
0.7727 | Intermediate Similarity | NPC88962 |
0.7727 | Intermediate Similarity | NPC256104 |
0.7727 | Intermediate Similarity | NPC18724 |
0.7727 | Intermediate Similarity | NPC182740 |
0.7727 | Intermediate Similarity | NPC470623 |
0.7727 | Intermediate Similarity | NPC224003 |
0.7727 | Intermediate Similarity | NPC122083 |
0.7727 | Intermediate Similarity | NPC144790 |
0.7701 | Intermediate Similarity | NPC279329 |
0.7692 | Intermediate Similarity | NPC209666 |
0.7692 | Intermediate Similarity | NPC292775 |
0.7692 | Intermediate Similarity | NPC200167 |
0.7692 | Intermediate Similarity | NPC31046 |
0.7692 | Intermediate Similarity | NPC53868 |
0.7692 | Intermediate Similarity | NPC166250 |
0.7683 | Intermediate Similarity | NPC470154 |
0.7683 | Intermediate Similarity | NPC470156 |
0.7674 | Intermediate Similarity | NPC471221 |
0.7674 | Intermediate Similarity | NPC281004 |
0.7674 | Intermediate Similarity | NPC221993 |
0.7667 | Intermediate Similarity | NPC203434 |
0.7667 | Intermediate Similarity | NPC304011 |
0.7667 | Intermediate Similarity | NPC139271 |
0.7667 | Intermediate Similarity | NPC475765 |
0.7667 | Intermediate Similarity | NPC476510 |
0.7667 | Intermediate Similarity | NPC142264 |
0.7667 | Intermediate Similarity | NPC475785 |
0.7667 | Intermediate Similarity | NPC238796 |
0.7667 | Intermediate Similarity | NPC237071 |
0.7647 | Intermediate Similarity | NPC215968 |
0.7647 | Intermediate Similarity | NPC155531 |
0.764 | Intermediate Similarity | NPC471373 |
0.764 | Intermediate Similarity | NPC131693 |
0.764 | Intermediate Similarity | NPC473774 |
0.764 | Intermediate Similarity | NPC253611 |
0.764 | Intermediate Similarity | NPC473851 |
0.764 | Intermediate Similarity | NPC312678 |
0.764 | Intermediate Similarity | NPC174024 |
0.764 | Intermediate Similarity | NPC24960 |
0.764 | Intermediate Similarity | NPC77717 |
0.764 | Intermediate Similarity | NPC475436 |
0.764 | Intermediate Similarity | NPC253268 |
0.764 | Intermediate Similarity | NPC179859 |
0.764 | Intermediate Similarity | NPC267238 |
0.764 | Intermediate Similarity | NPC148593 |
0.764 | Intermediate Similarity | NPC291547 |
0.7614 | Intermediate Similarity | NPC475878 |
0.7614 | Intermediate Similarity | NPC36372 |
0.7614 | Intermediate Similarity | NPC293609 |
0.759 | Intermediate Similarity | NPC475388 |
0.759 | Intermediate Similarity | NPC296734 |
0.7586 | Intermediate Similarity | NPC228059 |
0.7586 | Intermediate Similarity | NPC473472 |
0.7586 | Intermediate Similarity | NPC102725 |
0.7582 | Intermediate Similarity | NPC477223 |
0.7582 | Intermediate Similarity | NPC233649 |
0.7582 | Intermediate Similarity | NPC470028 |
0.7582 | Intermediate Similarity | NPC477222 |
0.7561 | Intermediate Similarity | NPC248944 |
0.7561 | Intermediate Similarity | NPC7479 |
0.7561 | Intermediate Similarity | NPC257296 |
0.7561 | Intermediate Similarity | NPC16449 |
0.7556 | Intermediate Similarity | NPC471429 |
0.7556 | Intermediate Similarity | NPC471424 |
0.7556 | Intermediate Similarity | NPC106701 |
0.7556 | Intermediate Similarity | NPC205129 |
0.7556 | Intermediate Similarity | NPC471425 |
0.7556 | Intermediate Similarity | NPC189575 |
0.7556 | Intermediate Similarity | NPC474399 |
0.7529 | Intermediate Similarity | NPC232044 |
0.7529 | Intermediate Similarity | NPC273290 |
0.7528 | Intermediate Similarity | NPC297348 |
0.7528 | Intermediate Similarity | NPC249204 |
0.7528 | Intermediate Similarity | NPC477451 |
0.7528 | Intermediate Similarity | NPC250393 |
0.7528 | Intermediate Similarity | NPC177834 |
0.7528 | Intermediate Similarity | NPC141769 |
0.7528 | Intermediate Similarity | NPC234352 |
0.7528 | Intermediate Similarity | NPC325828 |
0.7528 | Intermediate Similarity | NPC477547 |
0.7528 | Intermediate Similarity | NPC277774 |
0.7528 | Intermediate Similarity | NPC48339 |
0.7527 | Intermediate Similarity | NPC477225 |
0.75 | Intermediate Similarity | NPC136424 |
0.75 | Intermediate Similarity | NPC477285 |
0.75 | Intermediate Similarity | NPC216260 |
0.75 | Intermediate Similarity | NPC474249 |
0.75 | Intermediate Similarity | NPC473638 |
0.75 | Intermediate Similarity | NPC5358 |
0.75 | Intermediate Similarity | NPC261990 |
0.75 | Intermediate Similarity | NPC111582 |
0.75 | Intermediate Similarity | NPC223143 |
0.75 | Intermediate Similarity | NPC65550 |
0.7473 | Intermediate Similarity | NPC121453 |
0.7471 | Intermediate Similarity | NPC476435 |
0.7465 | Intermediate Similarity | NPC132998 |
0.7444 | Intermediate Similarity | NPC191915 |
0.7444 | Intermediate Similarity | NPC473503 |
0.7444 | Intermediate Similarity | NPC222731 |
0.7444 | Intermediate Similarity | NPC291203 |
0.7444 | Intermediate Similarity | NPC471464 |
0.7444 | Intermediate Similarity | NPC309866 |
0.7444 | Intermediate Similarity | NPC264101 |
0.7444 | Intermediate Similarity | NPC294686 |
0.7444 | Intermediate Similarity | NPC151214 |
0.7444 | Intermediate Similarity | NPC217205 |
0.7442 | Intermediate Similarity | NPC471240 |
0.7442 | Intermediate Similarity | NPC477283 |
0.7436 | Intermediate Similarity | NPC1340 |
0.7436 | Intermediate Similarity | NPC187471 |
0.7436 | Intermediate Similarity | NPC252182 |
0.7436 | Intermediate Similarity | NPC470071 |
0.7419 | Intermediate Similarity | NPC324598 |
0.7419 | Intermediate Similarity | NPC470030 |
0.7416 | Intermediate Similarity | NPC204881 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC107963 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 | NPD1810 | Approved |
0.7692 | Intermediate Similarity | NPD1811 | Approved |
0.7561 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7528 | Intermediate Similarity | NPD8171 | Discontinued |
0.7308 | Intermediate Similarity | NPD2687 | Approved |
0.7308 | Intermediate Similarity | NPD2254 | Approved |
0.7308 | Intermediate Similarity | NPD2686 | Approved |
0.6974 | Remote Similarity | NPD371 | Approved |
0.6962 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6897 | Remote Similarity | NPD3669 | Approved |
0.6897 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6768 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6486 | Remote Similarity | NPD2267 | Suspended |
0.6322 | Remote Similarity | NPD6697 | Approved |
0.6322 | Remote Similarity | NPD6115 | Approved |
0.6322 | Remote Similarity | NPD6118 | Approved |
0.6322 | Remote Similarity | NPD6114 | Approved |
0.6292 | Remote Similarity | NPD1779 | Approved |
0.6292 | Remote Similarity | NPD1780 | Approved |
0.6289 | Remote Similarity | NPD7991 | Discontinued |
0.6265 | Remote Similarity | NPD4787 | Phase 1 |
0.6207 | Remote Similarity | NPD6116 | Phase 1 |
0.619 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD7327 | Approved |
0.6182 | Remote Similarity | NPD7328 | Approved |
0.6163 | Remote Similarity | NPD3703 | Phase 2 |
0.6154 | Remote Similarity | NPD6412 | Phase 2 |
0.6126 | Remote Similarity | NPD7516 | Approved |
0.6111 | Remote Similarity | NPD8133 | Approved |
0.6106 | Remote Similarity | NPD6370 | Approved |
0.6092 | Remote Similarity | NPD6117 | Approved |
0.6071 | Remote Similarity | NPD8294 | Approved |
0.6071 | Remote Similarity | NPD8377 | Approved |
0.6049 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6047 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6018 | Remote Similarity | NPD8296 | Approved |
0.6018 | Remote Similarity | NPD8335 | Approved |
0.6018 | Remote Similarity | NPD8379 | Approved |
0.6018 | Remote Similarity | NPD8380 | Approved |
0.6018 | Remote Similarity | NPD8378 | Approved |
0.6018 | Remote Similarity | NPD8033 | Approved |
0.6 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD7525 | Registered |
0.6 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.598 | Remote Similarity | NPD1700 | Approved |
0.5977 | Remote Similarity | NPD3702 | Approved |
0.5952 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5943 | Remote Similarity | NPD6686 | Approved |
0.5929 | Remote Similarity | NPD6054 | Approved |
0.5929 | Remote Similarity | NPD6059 | Approved |
0.5915 | Remote Similarity | NPD385 | Approved |
0.5915 | Remote Similarity | NPD384 | Approved |
0.5914 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD8293 | Discontinued |
0.5895 | Remote Similarity | NPD7524 | Approved |
0.5889 | Remote Similarity | NPD7645 | Phase 2 |
0.5882 | Remote Similarity | NPD4244 | Approved |
0.5882 | Remote Similarity | NPD4789 | Approved |
0.5882 | Remote Similarity | NPD4245 | Approved |
0.5877 | Remote Similarity | NPD7503 | Approved |
0.5856 | Remote Similarity | NPD6940 | Discontinued |
0.5847 | Remote Similarity | NPD7736 | Approved |
0.5833 | Remote Similarity | NPD6705 | Phase 1 |
0.5833 | Remote Similarity | NPD5360 | Phase 3 |
0.5833 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD7507 | Approved |
0.5806 | Remote Similarity | NPD6695 | Phase 3 |
0.5804 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5776 | Remote Similarity | NPD6067 | Discontinued |
0.5775 | Remote Similarity | NPD386 | Approved |
0.5775 | Remote Similarity | NPD388 | Approved |
0.5765 | Remote Similarity | NPD3698 | Phase 2 |
0.575 | Remote Similarity | NPD1145 | Discontinued |
0.5741 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5739 | Remote Similarity | NPD6015 | Approved |
0.5739 | Remote Similarity | NPD6016 | Approved |
0.5726 | Remote Similarity | NPD7492 | Approved |
0.569 | Remote Similarity | NPD5988 | Approved |
0.5678 | Remote Similarity | NPD6616 | Approved |
0.5667 | Remote Similarity | NPD7319 | Approved |
0.566 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.5658 | Remote Similarity | NPD889 | Approved |
0.5658 | Remote Similarity | NPD895 | Approved |
0.5658 | Remote Similarity | NPD894 | Approved |
0.5658 | Remote Similarity | NPD887 | Approved |
0.5652 | Remote Similarity | NPD6930 | Phase 2 |
0.5652 | Remote Similarity | NPD6931 | Approved |
0.5648 | Remote Similarity | NPD8174 | Phase 2 |
0.5632 | Remote Similarity | NPD5777 | Approved |
0.5631 | Remote Similarity | NPD7638 | Approved |
0.563 | Remote Similarity | NPD7078 | Approved |
PubChem CID   | 72701754 |
ChEMBL   | CHEMBL2431871 |
ZINC   |
Molecular Weight:   | 322.25 |
ALogP:   | 0.5656 |
MLogP:   | 3.33 |
XLogP:   | 5.211 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 38.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 23 |