Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT729 | Organism | Micrococcus luteus | Micrococcus luteus | MIC | = | 50 | ug/ml | 3656364 |
NPT1087 | Individual Protein | Isocitrate lyase | Candida albicans | IC50 | = | 43.8 | ug/ml | DrugMatrix in vivo data: Hematology |
NPT111 | Cell Line | K562 | Homo sapiens | LC50 | = | 83 | ug/ml | 18434144 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 100 | ug/ml | 23511018 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 100 | ug/ml | PubChem BioAssay data set |
NPT766 | Organism | Proteus vulgaris | Proteus vulgaris | MIC | > | 100 | ug/ml | 19245260 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 100 | ug/ml | 12617583 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | MIC | > | 100 | ug/ml | 17067155 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 100 | ug/ml | 17850214 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | = | 50 | ug/ml | 20805391 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 100 | ug/ml | 22194678 |
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 NPC475714 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 |
---|---|---|
0.962 | High Similarity | NPC475706 |
0.9615 | High Similarity | NPC474028 |
0.9615 | High Similarity | NPC474439 |
0.9157 | High Similarity | NPC475739 |
0.9024 | High Similarity | NPC474424 |
0.8721 | High Similarity | NPC474098 |
0.8721 | High Similarity | NPC475995 |
0.8372 | Intermediate Similarity | NPC45409 |
0.7889 | Intermediate Similarity | NPC475879 |
0.7683 | Intermediate Similarity | NPC470686 |
0.7531 | Intermediate Similarity | NPC64234 |
0.7531 | Intermediate Similarity | NPC37929 |
0.7526 | Intermediate Similarity | NPC219038 |
0.75 | Intermediate Similarity | NPC313444 |
0.7449 | Intermediate Similarity | NPC471599 |
0.7447 | Intermediate Similarity | NPC470521 |
0.7419 | Intermediate Similarity | NPC470520 |
0.7412 | Intermediate Similarity | NPC315394 |
0.7407 | Intermediate Similarity | NPC232812 |
0.7386 | Intermediate Similarity | NPC471298 |
0.7347 | Intermediate Similarity | NPC20673 |
0.734 | Intermediate Similarity | NPC238090 |
0.734 | Intermediate Similarity | NPC472196 |
0.734 | Intermediate Similarity | NPC59646 |
0.734 | Intermediate Similarity | NPC472195 |
0.732 | Intermediate Similarity | NPC151093 |
0.7317 | Intermediate Similarity | NPC473361 |
0.7317 | Intermediate Similarity | NPC315597 |
0.7317 | Intermediate Similarity | NPC315285 |
0.7317 | Intermediate Similarity | NPC316029 |
0.7317 | Intermediate Similarity | NPC329904 |
0.7312 | Intermediate Similarity | NPC327253 |
0.7312 | Intermediate Similarity | NPC3436 |
0.7312 | Intermediate Similarity | NPC118078 |
0.7303 | Intermediate Similarity | NPC471297 |
0.7292 | Intermediate Similarity | NPC473333 |
0.7263 | Intermediate Similarity | NPC159698 |
0.7262 | Intermediate Similarity | NPC315843 |
0.7262 | Intermediate Similarity | NPC107654 |
0.725 | Intermediate Similarity | NPC191233 |
0.725 | Intermediate Similarity | NPC315115 |
0.7245 | Intermediate Similarity | NPC244878 |
0.7234 | Intermediate Similarity | NPC175842 |
0.7234 | Intermediate Similarity | NPC32494 |
0.7222 | Intermediate Similarity | NPC475035 |
0.7222 | Intermediate Similarity | NPC266718 |
0.7222 | Intermediate Similarity | NPC471302 |
0.7222 | Intermediate Similarity | NPC161670 |
0.7222 | Intermediate Similarity | NPC471301 |
0.7216 | Intermediate Similarity | NPC471490 |
0.7216 | Intermediate Similarity | NPC2666 |
0.7209 | Intermediate Similarity | NPC68156 |
0.7204 | Intermediate Similarity | NPC225283 |
0.7204 | Intermediate Similarity | NPC242877 |
0.7204 | Intermediate Similarity | NPC64913 |
0.7195 | Intermediate Similarity | NPC470693 |
0.7191 | Intermediate Similarity | NPC471296 |
0.7191 | Intermediate Similarity | NPC324170 |
0.7188 | Intermediate Similarity | NPC471492 |
0.7172 | Intermediate Similarity | NPC98859 |
0.7172 | Intermediate Similarity | NPC4637 |
0.716 | Intermediate Similarity | NPC472266 |
0.7158 | Intermediate Similarity | NPC320552 |
0.7143 | Intermediate Similarity | NPC124181 |
0.7143 | Intermediate Similarity | NPC471494 |
0.7125 | Intermediate Similarity | NPC220766 |
0.7097 | Intermediate Similarity | NPC260343 |
0.7089 | Intermediate Similarity | NPC475073 |
0.7065 | Intermediate Similarity | NPC311163 |
0.7065 | Intermediate Similarity | NPC208473 |
0.7053 | Intermediate Similarity | NPC477749 |
0.7045 | Intermediate Similarity | NPC471537 |
0.7041 | Intermediate Similarity | NPC153559 |
0.7033 | Intermediate Similarity | NPC41856 |
0.7033 | Intermediate Similarity | NPC473308 |
0.7024 | Intermediate Similarity | NPC316185 |
0.7024 | Intermediate Similarity | NPC84038 |
0.7021 | Intermediate Similarity | NPC139418 |
0.7021 | Intermediate Similarity | NPC477748 |
0.7011 | Intermediate Similarity | NPC473756 |
0.7011 | Intermediate Similarity | NPC471225 |
0.7011 | Intermediate Similarity | NPC316324 |
0.7011 | Intermediate Similarity | NPC473825 |
0.7011 | Intermediate Similarity | NPC10572 |
0.7 | Intermediate Similarity | NPC473529 |
0.7 | Intermediate Similarity | NPC323251 |
0.7 | Intermediate Similarity | NPC11332 |
0.7 | Intermediate Similarity | NPC473780 |
0.7 | Intermediate Similarity | NPC180363 |
0.7 | Intermediate Similarity | NPC475159 |
0.7 | Intermediate Similarity | NPC65930 |
0.7 | Intermediate Similarity | NPC145914 |
0.7 | Intermediate Similarity | NPC329829 |
0.7 | Intermediate Similarity | NPC73310 |
0.7 | Intermediate Similarity | NPC131002 |
0.7 | Intermediate Similarity | NPC94875 |
0.7 | Intermediate Similarity | NPC473712 |
0.6989 | Remote Similarity | NPC313658 |
0.6989 | Remote Similarity | NPC316138 |
0.6989 | Remote Similarity | NPC475186 |
0.6989 | Remote Similarity | NPC475037 |
0.6989 | Remote Similarity | NPC475678 |
0.6989 | Remote Similarity | NPC118077 |
0.6988 | Remote Similarity | NPC475004 |
0.6979 | Remote Similarity | NPC282644 |
0.6979 | Remote Similarity | NPC473723 |
0.6979 | Remote Similarity | NPC29798 |
0.6979 | Remote Similarity | NPC473561 |
0.6979 | Remote Similarity | NPC156553 |
0.6979 | Remote Similarity | NPC473663 |
0.6979 | Remote Similarity | NPC473520 |
0.6979 | Remote Similarity | NPC189651 |
0.6979 | Remote Similarity | NPC475173 |
0.6979 | Remote Similarity | NPC475098 |
0.6977 | Remote Similarity | NPC478194 |
0.6977 | Remote Similarity | NPC478193 |
0.6977 | Remote Similarity | NPC478192 |
0.6977 | Remote Similarity | NPC478191 |
0.6977 | Remote Similarity | NPC478195 |
0.6977 | Remote Similarity | NPC478196 |
0.6977 | Remote Similarity | NPC315552 |
0.697 | Remote Similarity | NPC473307 |
0.697 | Remote Similarity | NPC203627 |
0.6957 | Remote Similarity | NPC163606 |
0.6957 | Remote Similarity | NPC471223 |
0.6957 | Remote Similarity | NPC474860 |
0.6957 | Remote Similarity | NPC475034 |
0.6957 | Remote Similarity | NPC471300 |
0.6957 | Remote Similarity | NPC67081 |
0.6957 | Remote Similarity | NPC472442 |
0.6947 | Remote Similarity | NPC202886 |
0.6947 | Remote Similarity | NPC473904 |
0.6941 | Remote Similarity | NPC476490 |
0.6941 | Remote Similarity | NPC476489 |
0.6941 | Remote Similarity | NPC474705 |
0.6941 | Remote Similarity | NPC316851 |
0.6932 | Remote Similarity | NPC108816 |
0.6932 | Remote Similarity | NPC93763 |
0.6923 | Remote Similarity | NPC142111 |
0.6923 | Remote Similarity | NPC473315 |
0.6923 | Remote Similarity | NPC475947 |
0.6923 | Remote Similarity | NPC472440 |
0.6923 | Remote Similarity | NPC253801 |
0.6923 | Remote Similarity | NPC284472 |
0.6923 | Remote Similarity | NPC229799 |
0.6923 | Remote Similarity | NPC144415 |
0.6923 | Remote Similarity | NPC286770 |
0.6915 | Remote Similarity | NPC472809 |
0.6915 | Remote Similarity | NPC472810 |
0.6914 | Remote Similarity | NPC471556 |
0.6907 | Remote Similarity | NPC470255 |
0.6905 | Remote Similarity | NPC4299 |
0.6905 | Remote Similarity | NPC59558 |
0.6905 | Remote Similarity | NPC67183 |
0.6897 | Remote Similarity | NPC123360 |
0.6893 | Remote Similarity | NPC239961 |
0.6893 | Remote Similarity | NPC82251 |
0.6889 | Remote Similarity | NPC474894 |
0.6882 | Remote Similarity | NPC469483 |
0.6875 | Remote Similarity | NPC473707 |
0.6869 | Remote Similarity | NPC52820 |
0.6867 | Remote Similarity | NPC310210 |
0.6867 | Remote Similarity | NPC474823 |
0.6863 | Remote Similarity | NPC197736 |
0.686 | Remote Similarity | NPC474758 |
0.6854 | Remote Similarity | NPC321728 |
0.6854 | Remote Similarity | NPC99651 |
0.6854 | Remote Similarity | NPC271632 |
0.6848 | Remote Similarity | NPC163093 |
0.6848 | Remote Similarity | NPC126518 |
0.6848 | Remote Similarity | NPC156804 |
0.6842 | Remote Similarity | NPC470734 |
0.6837 | Remote Similarity | NPC241407 |
0.6837 | Remote Similarity | NPC170204 |
0.6837 | Remote Similarity | NPC476487 |
0.6837 | Remote Similarity | NPC291709 |
0.6837 | Remote Similarity | NPC476488 |
0.6832 | Remote Similarity | NPC198992 |
0.6827 | Remote Similarity | NPC474285 |
0.6827 | Remote Similarity | NPC254538 |
0.6824 | Remote Similarity | NPC477087 |
0.6824 | Remote Similarity | NPC477086 |
0.6813 | Remote Similarity | NPC310450 |
0.6813 | Remote Similarity | NPC474959 |
0.6813 | Remote Similarity | NPC11383 |
0.6813 | Remote Similarity | NPC251026 |
0.6813 | Remote Similarity | NPC475046 |
0.6813 | Remote Similarity | NPC16321 |
0.6804 | Remote Similarity | NPC11456 |
0.68 | Remote Similarity | NPC90819 |
0.68 | Remote Similarity | NPC474440 |
0.68 | Remote Similarity | NPC471610 |
0.6796 | Remote Similarity | NPC86095 |
0.6786 | Remote Similarity | NPC101622 |
0.6786 | Remote Similarity | NPC151481 |
0.6782 | Remote Similarity | NPC329852 |
0.6782 | Remote Similarity | NPC469414 |
0.6782 | Remote Similarity | NPC329826 |
0.6778 | Remote Similarity | NPC190008 |
0.6774 | Remote Similarity | NPC475268 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC475714 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 |
---|---|---|---|
0.6848 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.68 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6771 | Remote Similarity | NPD7838 | Discovery |
0.6604 | Remote Similarity | NPD6686 | Approved |
0.6429 | Remote Similarity | NPD46 | Approved |
0.6429 | Remote Similarity | NPD6698 | Approved |
0.6383 | Remote Similarity | NPD7154 | Phase 3 |
0.631 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6277 | Remote Similarity | NPD5209 | Approved |
0.6264 | Remote Similarity | NPD4756 | Discovery |
0.625 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6207 | Remote Similarity | NPD7503 | Approved |
0.62 | Remote Similarity | NPD7983 | Approved |
0.6154 | Remote Similarity | NPD4225 | Approved |
0.6122 | Remote Similarity | NPD4251 | Approved |
0.6122 | Remote Similarity | NPD4250 | Approved |
0.6105 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6095 | Remote Similarity | NPD6648 | Approved |
0.6087 | Remote Similarity | NPD7328 | Approved |
0.6087 | Remote Similarity | NPD7327 | Approved |
0.6071 | Remote Similarity | NPD969 | Suspended |
0.6064 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6044 | Remote Similarity | NPD8039 | Approved |
0.6042 | Remote Similarity | NPD5362 | Discontinued |
0.6042 | Remote Similarity | NPD6110 | Phase 1 |
0.6034 | Remote Similarity | NPD7516 | Approved |
0.6024 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.602 | Remote Similarity | NPD4249 | Approved |
0.6 | Remote Similarity | NPD7505 | Discontinued |
0.5983 | Remote Similarity | NPD8294 | Approved |
0.5983 | Remote Similarity | NPD8377 | Approved |
0.5941 | Remote Similarity | NPD5785 | Approved |
0.5932 | Remote Similarity | NPD8513 | Phase 3 |
0.5932 | Remote Similarity | NPD8033 | Approved |
0.5932 | Remote Similarity | NPD8378 | Approved |
0.5932 | Remote Similarity | NPD8335 | Approved |
0.5932 | Remote Similarity | NPD8517 | Approved |
0.5932 | Remote Similarity | NPD8515 | Approved |
0.5932 | Remote Similarity | NPD8516 | Approved |
0.5932 | Remote Similarity | NPD8296 | Approved |
0.5932 | Remote Similarity | NPD8379 | Approved |
0.5932 | Remote Similarity | NPD8380 | Approved |
0.5909 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD6927 | Phase 3 |
0.5888 | Remote Similarity | NPD5344 | Discontinued |
0.5876 | Remote Similarity | NPD5331 | Approved |
0.5876 | Remote Similarity | NPD5332 | Approved |
0.5868 | Remote Similarity | NPD7507 | Approved |
0.5851 | Remote Similarity | NPD4268 | Approved |
0.5851 | Remote Similarity | NPD4271 | Approved |
0.5841 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD4790 | Discontinued |
0.5814 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.581 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.581 | Remote Similarity | NPD7839 | Suspended |
0.5794 | Remote Similarity | NPD7640 | Approved |
0.5794 | Remote Similarity | NPD7639 | Approved |
0.5758 | Remote Similarity | NPD5363 | Approved |
0.5752 | Remote Similarity | NPD6371 | Approved |
0.5729 | Remote Similarity | NPD4820 | Approved |
0.5729 | Remote Similarity | NPD4822 | Approved |
0.5729 | Remote Similarity | NPD4819 | Approved |
0.5729 | Remote Similarity | NPD4821 | Approved |
0.5728 | Remote Similarity | NPD7637 | Suspended |
0.5726 | Remote Similarity | NPD7319 | Approved |
0.5702 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.5702 | Remote Similarity | NPD7829 | Approved |
0.5702 | Remote Similarity | NPD7830 | Approved |
0.5701 | Remote Similarity | NPD7638 | Approved |
0.5684 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5673 | Remote Similarity | NPD5778 | Approved |
0.5673 | Remote Similarity | NPD5779 | Approved |
0.5641 | Remote Similarity | NPD4220 | Pre-registration |
0.5636 | Remote Similarity | NPD6647 | Phase 2 |
0.5625 | Remote Similarity | NPD6412 | Phase 2 |
0.5618 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD2067 | Discontinued |
0.5612 | Remote Similarity | NPD4269 | Approved |
0.5612 | Remote Similarity | NPD4270 | Approved |
0.56 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
PubChem CID   | 54729899 |
ChEMBL   | CHEMBL512464 |
ZINC   |
Molecular Weight:   | 460.28 |
ALogP:   | 3.1877 |
MLogP:   | 3.77 |
XLogP:   | 6.184 |
# Rotatable Bonds:   | 20 |
Polar Surface Area:   | 74.22 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 33 |