Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 460 | nM | 17967541 |
NPT2 | Others | Unspecified | Ratio | = | 0.37 | 17967541 | ||
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 170 | nM | 17967541 |
NPT171 | Cell Line | MRC5 | Homo sapiens | IC50 | = | 1610 | nM | 17967541 |
NPT2249 | Individual Protein | Histidine-rich protein | Plasmodium falciparum | Inhibition | = | 12.9 | % | 17967541 |
NPT2249 | Individual Protein | Histidine-rich protein | Plasmodium falciparum | Inhibition | = | 24.6 | % | 17967541 |
NPT2249 | Individual Protein | Histidine-rich protein | Plasmodium falciparum | IC50 | > | 20000000 | nM | 17967541 |
NPT2249 | Individual Protein | Histidine-rich protein | Plasmodium falciparum | Ratio IC50 | > | 3.4 | 17967541 | |
NPT441 | Individual Protein | Cytochrome P450 19A1 | Homo sapiens | IC50 | > | 500000 | nM | 18192087 |
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 NPC477291 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 |
---|---|---|
0.9231 | High Similarity | NPC477292 |
0.7699 | Intermediate Similarity | NPC258130 |
0.75 | Intermediate Similarity | NPC191965 |
0.7429 | Intermediate Similarity | NPC84121 |
0.7429 | Intermediate Similarity | NPC137306 |
0.7282 | Intermediate Similarity | NPC290495 |
0.7282 | Intermediate Similarity | NPC195334 |
0.7212 | Intermediate Similarity | NPC286786 |
0.7156 | Intermediate Similarity | NPC120840 |
0.7156 | Intermediate Similarity | NPC113989 |
0.7143 | Intermediate Similarity | NPC132386 |
0.7115 | Intermediate Similarity | NPC108476 |
0.7091 | Intermediate Similarity | NPC285184 |
0.7091 | Intermediate Similarity | NPC77099 |
0.7091 | Intermediate Similarity | NPC470590 |
0.7091 | Intermediate Similarity | NPC60755 |
0.7083 | Intermediate Similarity | NPC79238 |
0.7064 | Intermediate Similarity | NPC30522 |
0.7031 | Intermediate Similarity | NPC237286 |
0.7027 | Intermediate Similarity | NPC86368 |
0.7 | Intermediate Similarity | NPC474728 |
0.6972 | Remote Similarity | NPC40552 |
0.6972 | Remote Similarity | NPC246708 |
0.6964 | Remote Similarity | NPC184006 |
0.6964 | Remote Similarity | NPC78580 |
0.6964 | Remote Similarity | NPC215700 |
0.6964 | Remote Similarity | NPC74751 |
0.6964 | Remote Similarity | NPC23621 |
0.6964 | Remote Similarity | NPC296164 |
0.6944 | Remote Similarity | NPC10005 |
0.6944 | Remote Similarity | NPC329943 |
0.6944 | Remote Similarity | NPC9892 |
0.6944 | Remote Similarity | NPC91525 |
0.6942 | Remote Similarity | NPC474459 |
0.6942 | Remote Similarity | NPC66862 |
0.693 | Remote Similarity | NPC158347 |
0.693 | Remote Similarity | NPC474164 |
0.6929 | Remote Similarity | NPC472458 |
0.6909 | Remote Similarity | NPC470588 |
0.6903 | Remote Similarity | NPC23241 |
0.6903 | Remote Similarity | NPC474727 |
0.6903 | Remote Similarity | NPC195715 |
0.6885 | Remote Similarity | NPC469968 |
0.6885 | Remote Similarity | NPC474452 |
0.6885 | Remote Similarity | NPC80834 |
0.6881 | Remote Similarity | NPC51700 |
0.6881 | Remote Similarity | NPC130577 |
0.6881 | Remote Similarity | NPC46912 |
0.6881 | Remote Similarity | NPC68160 |
0.6881 | Remote Similarity | NPC98442 |
0.6881 | Remote Similarity | NPC142415 |
0.6881 | Remote Similarity | NPC242468 |
0.6881 | Remote Similarity | NPC102683 |
0.6881 | Remote Similarity | NPC162107 |
0.6881 | Remote Similarity | NPC307426 |
0.6881 | Remote Similarity | NPC88716 |
0.6881 | Remote Similarity | NPC18064 |
0.6881 | Remote Similarity | NPC293564 |
0.6881 | Remote Similarity | NPC171203 |
0.6875 | Remote Similarity | NPC474436 |
0.6875 | Remote Similarity | NPC63118 |
0.6875 | Remote Similarity | NPC49776 |
0.686 | Remote Similarity | NPC472313 |
0.685 | Remote Similarity | NPC242692 |
0.6842 | Remote Similarity | NPC327179 |
0.6842 | Remote Similarity | NPC230151 |
0.6838 | Remote Similarity | NPC176012 |
0.6829 | Remote Similarity | NPC478137 |
0.6818 | Remote Similarity | NPC181225 |
0.6818 | Remote Similarity | NPC17733 |
0.6818 | Remote Similarity | NPC470629 |
0.6818 | Remote Similarity | NPC290690 |
0.6818 | Remote Similarity | NPC52169 |
0.6818 | Remote Similarity | NPC224145 |
0.6818 | Remote Similarity | NPC473242 |
0.6818 | Remote Similarity | NPC182797 |
0.6818 | Remote Similarity | NPC474512 |
0.6807 | Remote Similarity | NPC86906 |
0.6792 | Remote Similarity | NPC142163 |
0.6789 | Remote Similarity | NPC72638 |
0.6789 | Remote Similarity | NPC325594 |
0.6783 | Remote Similarity | NPC476878 |
0.6783 | Remote Similarity | NPC26413 |
0.6783 | Remote Similarity | NPC476879 |
0.6777 | Remote Similarity | NPC85001 |
0.6777 | Remote Similarity | NPC95920 |
0.6777 | Remote Similarity | NPC253645 |
0.6777 | Remote Similarity | NPC147835 |
0.6757 | Remote Similarity | NPC198664 |
0.6757 | Remote Similarity | NPC127689 |
0.6757 | Remote Similarity | NPC274330 |
0.6757 | Remote Similarity | NPC270768 |
0.6757 | Remote Similarity | NPC225585 |
0.6757 | Remote Similarity | NPC95246 |
0.6757 | Remote Similarity | NPC293048 |
0.6757 | Remote Similarity | NPC59263 |
0.6757 | Remote Similarity | NPC234346 |
0.6757 | Remote Similarity | NPC121798 |
0.6757 | Remote Similarity | NPC25906 |
0.6757 | Remote Similarity | NPC64872 |
0.6757 | Remote Similarity | NPC475049 |
0.6757 | Remote Similarity | NPC290972 |
0.6757 | Remote Similarity | NPC161751 |
0.6757 | Remote Similarity | NPC130520 |
0.6757 | Remote Similarity | NPC61543 |
0.6757 | Remote Similarity | NPC143232 |
0.6757 | Remote Similarity | NPC474972 |
0.6757 | Remote Similarity | NPC263393 |
0.6731 | Remote Similarity | NPC101475 |
0.6731 | Remote Similarity | NPC157996 |
0.6731 | Remote Similarity | NPC34177 |
0.6731 | Remote Similarity | NPC84868 |
0.6731 | Remote Similarity | NPC40394 |
0.6726 | Remote Similarity | NPC74855 |
0.6726 | Remote Similarity | NPC136313 |
0.6726 | Remote Similarity | NPC295643 |
0.6726 | Remote Similarity | NPC272075 |
0.6726 | Remote Similarity | NPC214756 |
0.6726 | Remote Similarity | NPC307335 |
0.6724 | Remote Similarity | NPC471966 |
0.6724 | Remote Similarity | NPC58942 |
0.6724 | Remote Similarity | NPC477876 |
0.6724 | Remote Similarity | NPC477875 |
0.6724 | Remote Similarity | NPC260149 |
0.6721 | Remote Similarity | NPC72753 |
0.6696 | Remote Similarity | NPC210037 |
0.6696 | Remote Similarity | NPC7260 |
0.6696 | Remote Similarity | NPC470589 |
0.6696 | Remote Similarity | NPC273621 |
0.6696 | Remote Similarity | NPC126369 |
0.6696 | Remote Similarity | NPC172361 |
0.6696 | Remote Similarity | NPC290614 |
0.6696 | Remote Similarity | NPC477872 |
0.6696 | Remote Similarity | NPC291028 |
0.6696 | Remote Similarity | NPC130278 |
0.6696 | Remote Similarity | NPC86372 |
0.6696 | Remote Similarity | NPC227467 |
0.6696 | Remote Similarity | NPC18872 |
0.6696 | Remote Similarity | NPC120968 |
0.6696 | Remote Similarity | NPC111110 |
0.6667 | Remote Similarity | NPC474989 |
0.6667 | Remote Similarity | NPC476195 |
0.6667 | Remote Similarity | NPC22955 |
0.6667 | Remote Similarity | NPC474789 |
0.6667 | Remote Similarity | NPC196753 |
0.6667 | Remote Similarity | NPC98386 |
0.6667 | Remote Similarity | NPC473576 |
0.6667 | Remote Similarity | NPC158662 |
0.6667 | Remote Similarity | NPC474963 |
0.6667 | Remote Similarity | NPC246956 |
0.6667 | Remote Similarity | NPC470396 |
0.6667 | Remote Similarity | NPC5280 |
0.6667 | Remote Similarity | NPC474571 |
0.6667 | Remote Similarity | NPC475156 |
0.6667 | Remote Similarity | NPC300499 |
0.6667 | Remote Similarity | NPC230295 |
0.6667 | Remote Similarity | NPC254567 |
0.6667 | Remote Similarity | NPC91010 |
0.6667 | Remote Similarity | NPC99168 |
0.6667 | Remote Similarity | NPC474190 |
0.6667 | Remote Similarity | NPC253807 |
0.6667 | Remote Similarity | NPC52108 |
0.6639 | Remote Similarity | NPC218602 |
0.6637 | Remote Similarity | NPC474525 |
0.6637 | Remote Similarity | NPC966 |
0.6637 | Remote Similarity | NPC472149 |
0.6637 | Remote Similarity | NPC306541 |
0.6637 | Remote Similarity | NPC105189 |
0.6637 | Remote Similarity | NPC155120 |
0.6637 | Remote Similarity | NPC84319 |
0.6637 | Remote Similarity | NPC25299 |
0.6637 | Remote Similarity | NPC282616 |
0.6637 | Remote Similarity | NPC235884 |
0.6637 | Remote Similarity | NPC288833 |
0.6637 | Remote Similarity | NPC324341 |
0.6637 | Remote Similarity | NPC145067 |
0.6637 | Remote Similarity | NPC476064 |
0.6637 | Remote Similarity | NPC4036 |
0.6637 | Remote Similarity | NPC52021 |
0.6637 | Remote Similarity | NPC300351 |
0.6637 | Remote Similarity | NPC65120 |
0.6637 | Remote Similarity | NPC71074 |
0.6637 | Remote Similarity | NPC158030 |
0.6637 | Remote Similarity | NPC187722 |
0.6637 | Remote Similarity | NPC233455 |
0.6637 | Remote Similarity | NPC228784 |
0.6636 | Remote Similarity | NPC116202 |
0.6636 | Remote Similarity | NPC474970 |
0.6635 | Remote Similarity | NPC290598 |
0.6635 | Remote Similarity | NPC122418 |
0.6635 | Remote Similarity | NPC120098 |
0.6635 | Remote Similarity | NPC27765 |
0.6635 | Remote Similarity | NPC265328 |
0.6635 | Remote Similarity | NPC30590 |
0.661 | Remote Similarity | NPC473160 |
0.661 | Remote Similarity | NPC476132 |
0.661 | Remote Similarity | NPC233012 |
0.661 | Remote Similarity | NPC54909 |
0.661 | Remote Similarity | NPC235920 |
0.661 | Remote Similarity | NPC96784 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC477291 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 |
---|---|---|---|
0.6964 | Remote Similarity | NPD7748 | Approved |
0.6783 | Remote Similarity | NPD7902 | Approved |
0.6762 | Remote Similarity | NPD7645 | Phase 2 |
0.6637 | Remote Similarity | NPD7515 | Phase 2 |
0.6522 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD7900 | Approved |
0.641 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6212 | Remote Similarity | NPD6909 | Approved |
0.6212 | Remote Similarity | NPD6908 | Approved |
0.6207 | Remote Similarity | NPD8035 | Phase 2 |
0.6207 | Remote Similarity | NPD8034 | Phase 2 |
0.6202 | Remote Similarity | NPD7754 | Approved |
0.6202 | Remote Similarity | NPD7755 | Approved |
0.6115 | Remote Similarity | NPD8449 | Approved |
0.6106 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.6094 | Remote Similarity | NPD8077 | Approved |
0.6094 | Remote Similarity | NPD8078 | Approved |
0.608 | Remote Similarity | NPD7990 | Approved |
0.608 | Remote Similarity | NPD7989 | Approved |
0.6071 | Remote Similarity | NPD8450 | Suspended |
0.6053 | Remote Similarity | NPD8308 | Discontinued |
0.6047 | Remote Similarity | NPD8298 | Phase 2 |
0.6033 | Remote Similarity | NPD7638 | Approved |
0.6017 | Remote Similarity | NPD6399 | Phase 3 |
0.6017 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5984 | Remote Similarity | NPD7639 | Approved |
0.5984 | Remote Similarity | NPD7640 | Approved |
0.5971 | Remote Similarity | NPD6914 | Discontinued |
0.5952 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.5948 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD7525 | Registered |
0.5873 | Remote Similarity | NPD5357 | Phase 1 |
0.5862 | Remote Similarity | NPD3573 | Approved |
0.5857 | Remote Similarity | NPD7751 | Phase 1 |
0.584 | Remote Similarity | NPD7986 | Approved |
0.584 | Remote Similarity | NPD7911 | Approved |
0.584 | Remote Similarity | NPD7912 | Approved |
0.584 | Remote Similarity | NPD7987 | Approved |
0.5833 | Remote Similarity | NPD5707 | Approved |
0.578 | Remote Similarity | NPD6942 | Approved |
0.578 | Remote Similarity | NPD7339 | Approved |
0.5776 | Remote Similarity | NPD7521 | Approved |
0.5776 | Remote Similarity | NPD6684 | Approved |
0.5776 | Remote Similarity | NPD3618 | Phase 1 |
0.5776 | Remote Similarity | NPD7334 | Approved |
0.5776 | Remote Similarity | NPD7146 | Approved |
0.5776 | Remote Similarity | NPD6409 | Approved |
0.5776 | Remote Similarity | NPD5330 | Approved |
0.5772 | Remote Similarity | NPD8088 | Phase 1 |
0.5766 | Remote Similarity | NPD8328 | Phase 3 |
0.5766 | Remote Similarity | NPD7122 | Discontinued |
0.5763 | Remote Similarity | NPD5328 | Approved |
0.5748 | Remote Similarity | NPD6675 | Approved |
0.5748 | Remote Similarity | NPD5739 | Approved |
0.5748 | Remote Similarity | NPD8040 | Discontinued |
0.5748 | Remote Similarity | NPD6402 | Approved |
0.5748 | Remote Similarity | NPD7128 | Approved |
0.5739 | Remote Similarity | NPD4786 | Approved |
0.5738 | Remote Similarity | NPD7732 | Phase 3 |
0.5738 | Remote Similarity | NPD7614 | Phase 1 |
0.5736 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD6404 | Discontinued |
0.5714 | Remote Similarity | NPD5354 | Approved |
0.5702 | Remote Similarity | NPD3667 | Approved |
0.5691 | Remote Similarity | NPD7920 | Phase 3 |
0.5691 | Remote Similarity | NPD7919 | Phase 3 |
0.5678 | Remote Similarity | NPD6903 | Approved |
0.5676 | Remote Similarity | NPD8143 | Approved |
0.5676 | Remote Similarity | NPD8144 | Approved |
0.5672 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD6411 | Approved |
0.5667 | Remote Similarity | NPD6079 | Approved |
0.5662 | Remote Similarity | NPD8294 | Approved |
0.5662 | Remote Similarity | NPD8377 | Approved |
0.5659 | Remote Similarity | NPD7320 | Approved |
0.5659 | Remote Similarity | NPD6899 | Approved |
0.5659 | Remote Similarity | NPD6881 | Approved |
0.5649 | Remote Similarity | NPD8130 | Phase 1 |
0.5643 | Remote Similarity | NPD7746 | Phase 1 |
0.5643 | Remote Similarity | NPD7747 | Phase 1 |
0.563 | Remote Similarity | NPD6051 | Approved |
0.563 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD7333 | Discontinued |
0.562 | Remote Similarity | NPD8296 | Approved |
0.562 | Remote Similarity | NPD8380 | Approved |
0.562 | Remote Similarity | NPD8335 | Approved |
0.562 | Remote Similarity | NPD8033 | Approved |
0.562 | Remote Similarity | NPD8379 | Approved |
0.562 | Remote Similarity | NPD6921 | Approved |
0.562 | Remote Similarity | NPD8378 | Approved |
0.5615 | Remote Similarity | NPD6373 | Approved |
0.5615 | Remote Similarity | NPD6372 | Approved |
0.5606 | Remote Similarity | NPD8297 | Approved |
0.5606 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD7336 | Phase 2 |
0.5606 | Remote Similarity | NPD7335 | Phase 2 |
0.56 | Remote Similarity | NPD8418 | Phase 2 |
PubChem CID   | 25111796 |
ChEMBL   | CHEMBL270215 |
ZINC   |
Molecular Weight:   | 680.56 |
ALogP:   | 0.5902 |
MLogP:   | 5.31 |
XLogP:   | 9.338 |
# Rotatable Bonds:   | 20 |
Polar Surface Area:   | 91.39 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 2 |
# Rings:   | 6 |
# Heavy Atoms:   | 49 |