Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT841 | Organism | Leishmania major | Leishmania major | IC50 | = | 72000 | nM | 18249473 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | > | 200000 | nM | 19919060 |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | IC50 | > | 800000 | nM | 19919060 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 256000 | nM | 22924480 |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | IC50 | = | 74000 | nM | 23356964 |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | = | 97000 | nM | 23273047 |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | > | 800000 | nM | 14518939 |
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 NPC129710 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 |
---|---|---|
0.902 | High Similarity | NPC22329 |
0.8824 | High Similarity | NPC220191 |
0.8519 | High Similarity | NPC317796 |
0.8333 | Intermediate Similarity | NPC474805 |
0.807 | Intermediate Similarity | NPC299369 |
0.807 | Intermediate Similarity | NPC224103 |
0.807 | Intermediate Similarity | NPC200831 |
0.8039 | Intermediate Similarity | NPC110396 |
0.7843 | Intermediate Similarity | NPC106547 |
0.7679 | Intermediate Similarity | NPC168521 |
0.7627 | Intermediate Similarity | NPC139056 |
0.75 | Intermediate Similarity | NPC473494 |
0.7231 | Intermediate Similarity | NPC474619 |
0.7193 | Intermediate Similarity | NPC137396 |
0.7167 | Intermediate Similarity | NPC474825 |
0.7143 | Intermediate Similarity | NPC57463 |
0.7143 | Intermediate Similarity | NPC151728 |
0.7119 | Intermediate Similarity | NPC25038 |
0.7077 | Intermediate Similarity | NPC16119 |
0.7059 | Intermediate Similarity | NPC111474 |
0.7031 | Intermediate Similarity | NPC474400 |
0.7031 | Intermediate Similarity | NPC475618 |
0.7031 | Intermediate Similarity | NPC34622 |
0.7015 | Intermediate Similarity | NPC262673 |
0.7 | Intermediate Similarity | NPC150717 |
0.7 | Intermediate Similarity | NPC221763 |
0.6935 | Remote Similarity | NPC133600 |
0.6923 | Remote Similarity | NPC98897 |
0.6912 | Remote Similarity | NPC291062 |
0.6912 | Remote Similarity | NPC94743 |
0.6897 | Remote Similarity | NPC46565 |
0.6897 | Remote Similarity | NPC229046 |
0.6825 | Remote Similarity | NPC309408 |
0.6774 | Remote Similarity | NPC281195 |
0.6719 | Remote Similarity | NPC68044 |
0.6716 | Remote Similarity | NPC243272 |
0.6716 | Remote Similarity | NPC251429 |
0.6716 | Remote Similarity | NPC298249 |
0.6667 | Remote Similarity | NPC203233 |
0.6667 | Remote Similarity | NPC7940 |
0.662 | Remote Similarity | NPC264178 |
0.6618 | Remote Similarity | NPC134385 |
0.6618 | Remote Similarity | NPC134593 |
0.6618 | Remote Similarity | NPC125578 |
0.6618 | Remote Similarity | NPC146376 |
0.6618 | Remote Similarity | NPC263382 |
0.6571 | Remote Similarity | NPC474539 |
0.6552 | Remote Similarity | NPC107703 |
0.6545 | Remote Similarity | NPC477686 |
0.6522 | Remote Similarity | NPC94488 |
0.6508 | Remote Similarity | NPC320421 |
0.6462 | Remote Similarity | NPC15193 |
0.6429 | Remote Similarity | NPC158853 |
0.6429 | Remote Similarity | NPC191337 |
0.6429 | Remote Similarity | NPC166788 |
0.6418 | Remote Similarity | NPC476589 |
0.6393 | Remote Similarity | NPC478120 |
0.6389 | Remote Similarity | NPC147438 |
0.6377 | Remote Similarity | NPC477117 |
0.6338 | Remote Similarity | NPC66365 |
0.6333 | Remote Similarity | NPC191643 |
0.6324 | Remote Similarity | NPC469446 |
0.629 | Remote Similarity | NPC173157 |
0.629 | Remote Similarity | NPC297280 |
0.6282 | Remote Similarity | NPC288281 |
0.6271 | Remote Similarity | NPC118788 |
0.6271 | Remote Similarity | NPC15325 |
0.625 | Remote Similarity | NPC25771 |
0.625 | Remote Similarity | NPC189700 |
0.623 | Remote Similarity | NPC37644 |
0.6216 | Remote Similarity | NPC26504 |
0.62 | Remote Similarity | NPC12889 |
0.6176 | Remote Similarity | NPC101670 |
0.6176 | Remote Similarity | NPC471566 |
0.6176 | Remote Similarity | NPC182794 |
0.6176 | Remote Similarity | NPC471565 |
0.6167 | Remote Similarity | NPC30433 |
0.6154 | Remote Similarity | NPC86789 |
0.6133 | Remote Similarity | NPC97173 |
0.6133 | Remote Similarity | NPC283087 |
0.6133 | Remote Similarity | NPC82666 |
0.6133 | Remote Similarity | NPC473536 |
0.6129 | Remote Similarity | NPC218486 |
0.6125 | Remote Similarity | NPC281172 |
0.6119 | Remote Similarity | NPC53109 |
0.6119 | Remote Similarity | NPC477830 |
0.6119 | Remote Similarity | NPC143168 |
0.6111 | Remote Similarity | NPC133098 |
0.6102 | Remote Similarity | NPC234084 |
0.6102 | Remote Similarity | NPC313553 |
0.6087 | Remote Similarity | NPC470033 |
0.6087 | Remote Similarity | NPC475555 |
0.6087 | Remote Similarity | NPC475675 |
0.6078 | Remote Similarity | NPC269641 |
0.6071 | Remote Similarity | NPC292463 |
0.6071 | Remote Similarity | NPC216921 |
0.6061 | Remote Similarity | NPC79756 |
0.6061 | Remote Similarity | NPC98519 |
0.6061 | Remote Similarity | NPC130953 |
0.6056 | Remote Similarity | NPC474060 |
0.6049 | Remote Similarity | NPC291712 |
0.6029 | Remote Similarity | NPC7029 |
0.6029 | Remote Similarity | NPC477457 |
0.6029 | Remote Similarity | NPC477456 |
0.6027 | Remote Similarity | NPC316851 |
0.6 | Remote Similarity | NPC266979 |
0.6 | Remote Similarity | NPC225974 |
0.6 | Remote Similarity | NPC132286 |
0.5972 | Remote Similarity | NPC59558 |
0.597 | Remote Similarity | NPC263732 |
0.5965 | Remote Similarity | NPC471753 |
0.5965 | Remote Similarity | NPC75134 |
0.5962 | Remote Similarity | NPC38497 |
0.5946 | Remote Similarity | NPC122244 |
0.5942 | Remote Similarity | NPC471556 |
0.5938 | Remote Similarity | NPC86948 |
0.5938 | Remote Similarity | NPC51846 |
0.5921 | Remote Similarity | NPC471225 |
0.5915 | Remote Similarity | NPC280374 |
0.5915 | Remote Similarity | NPC238223 |
0.5915 | Remote Similarity | NPC309466 |
0.5909 | Remote Similarity | NPC38455 |
0.5882 | Remote Similarity | NPC132243 |
0.5882 | Remote Similarity | NPC474774 |
0.5882 | Remote Similarity | NPC2328 |
0.5882 | Remote Similarity | NPC32552 |
0.5882 | Remote Similarity | NPC473737 |
0.5873 | Remote Similarity | NPC300121 |
0.5867 | Remote Similarity | NPC315552 |
0.5857 | Remote Similarity | NPC37382 |
0.5849 | Remote Similarity | NPC185839 |
0.5846 | Remote Similarity | NPC268185 |
0.5846 | Remote Similarity | NPC71755 |
0.5844 | Remote Similarity | NPC99182 |
0.5844 | Remote Similarity | NPC469510 |
0.5844 | Remote Similarity | NPC248624 |
0.5833 | Remote Similarity | NPC470693 |
0.5833 | Remote Similarity | NPC476059 |
0.5833 | Remote Similarity | NPC473603 |
0.5823 | Remote Similarity | NPC99308 |
0.5823 | Remote Similarity | NPC312419 |
0.5821 | Remote Similarity | NPC429928 |
0.5818 | Remote Similarity | NPC323278 |
0.5818 | Remote Similarity | NPC113082 |
0.5818 | Remote Similarity | NPC101147 |
0.5802 | Remote Similarity | NPC469884 |
0.5789 | Remote Similarity | NPC477708 |
0.5789 | Remote Similarity | NPC301972 |
0.5781 | Remote Similarity | NPC478117 |
0.5775 | Remote Similarity | NPC203335 |
0.5775 | Remote Similarity | NPC122627 |
0.5769 | Remote Similarity | NPC291260 |
0.5765 | Remote Similarity | NPC224270 |
0.5763 | Remote Similarity | NPC100380 |
0.5763 | Remote Similarity | NPC471752 |
0.5763 | Remote Similarity | NPC8610 |
0.5763 | Remote Similarity | NPC262558 |
0.5753 | Remote Similarity | NPC107848 |
0.5753 | Remote Similarity | NPC315285 |
0.5741 | Remote Similarity | NPC180840 |
0.5738 | Remote Similarity | NPC288381 |
0.5738 | Remote Similarity | NPC221467 |
0.5738 | Remote Similarity | NPC15789 |
0.5738 | Remote Similarity | NPC176819 |
0.5738 | Remote Similarity | NPC20934 |
0.5738 | Remote Similarity | NPC163984 |
0.5738 | Remote Similarity | NPC58970 |
0.5738 | Remote Similarity | NPC228776 |
0.5738 | Remote Similarity | NPC32351 |
0.5732 | Remote Similarity | NPC130030 |
0.5732 | Remote Similarity | NPC475614 |
0.5732 | Remote Similarity | NPC2640 |
0.5714 | Remote Similarity | NPC69898 |
0.5714 | Remote Similarity | NPC220766 |
0.5714 | Remote Similarity | NPC473825 |
0.5714 | Remote Similarity | NPC45283 |
0.5714 | Remote Similarity | NPC131174 |
0.5714 | Remote Similarity | NPC295777 |
0.5714 | Remote Similarity | NPC116366 |
0.5714 | Remote Similarity | NPC133904 |
0.5698 | Remote Similarity | NPC193396 |
0.5698 | Remote Similarity | NPC32944 |
0.5696 | Remote Similarity | NPC74086 |
0.5686 | Remote Similarity | NPC304788 |
0.5676 | Remote Similarity | NPC178575 |
0.5676 | Remote Similarity | NPC5734 |
0.5667 | Remote Similarity | NPC324812 |
0.5663 | Remote Similarity | NPC203795 |
0.5652 | Remote Similarity | NPC179087 |
0.5652 | Remote Similarity | NPC477707 |
0.5652 | Remote Similarity | NPC210303 |
0.5652 | Remote Similarity | NPC44343 |
0.5652 | Remote Similarity | NPC475073 |
0.5647 | Remote Similarity | NPC95364 |
0.5647 | Remote Similarity | NPC142159 |
0.5645 | Remote Similarity | NPC43053 |
0.5645 | Remote Similarity | NPC64866 |
0.5636 | Remote Similarity | NPC217923 |
0.5634 | Remote Similarity | NPC315115 |
0.5634 | Remote Similarity | NPC191233 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC129710 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 |
---|---|---|---|
0.807 | Intermediate Similarity | NPD8779 | Phase 3 |
0.7077 | Intermediate Similarity | NPD6108 | Clinical (unspecified phase) |
0.6792 | Remote Similarity | NPD9091 | Suspended |
0.6792 | Remote Similarity | NPD9297 | Discontinued |
0.6575 | Remote Similarity | NPD4756 | Discovery |
0.6429 | Remote Similarity | NPD9090 | Phase 3 |
0.6324 | Remote Similarity | NPD3704 | Approved |
0.6234 | Remote Similarity | NPD5115 | Clinical (unspecified phase) |
0.6119 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6094 | Remote Similarity | NPD9287 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD9286 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD539 | Approved |
0.5696 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD5783 | Phase 3 |
PubChem CID   | 10868332 |
ChEMBL   | CHEMBL454996 |
ZINC   |
Molecular Weight:   | 238.08 |
ALogP:   | -0.3761 |
MLogP:   | 2.23 |
XLogP:   | 1.66 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 61.83 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 17 |