Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Ratio IC50 | > | 5.5 | 16942016 | ||
NPT2 | Others | Unspecified | Ratio IC50 | > | 6.9 | 22624550 | ||
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 2.89 | ug/ml | DrugMatrix in vitro pharmacology data |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 3.61 | ug/ml | 23268606 |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | > | 20 | ug/ml | PubChem BioAssay data set |
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 NPC473728 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 |
---|---|---|
0.8163 | Intermediate Similarity | NPC202189 |
0.8 | Intermediate Similarity | NPC86683 |
0.7885 | Intermediate Similarity | NPC17518 |
0.76 | Intermediate Similarity | NPC192529 |
0.7547 | Intermediate Similarity | NPC22765 |
0.7358 | Intermediate Similarity | NPC124851 |
0.7308 | Intermediate Similarity | NPC13991 |
0.7308 | Intermediate Similarity | NPC296337 |
0.7308 | Intermediate Similarity | NPC114239 |
0.7308 | Intermediate Similarity | NPC241784 |
0.7292 | Intermediate Similarity | NPC229262 |
0.7292 | Intermediate Similarity | NPC297643 |
0.7292 | Intermediate Similarity | NPC139717 |
0.7119 | Intermediate Similarity | NPC470369 |
0.7119 | Intermediate Similarity | NPC470370 |
0.7115 | Intermediate Similarity | NPC248411 |
0.7083 | Intermediate Similarity | NPC190810 |
0.7083 | Intermediate Similarity | NPC76145 |
0.7083 | Intermediate Similarity | NPC34764 |
0.7069 | Intermediate Similarity | NPC469770 |
0.7059 | Intermediate Similarity | NPC105246 |
0.7059 | Intermediate Similarity | NPC177470 |
0.7059 | Intermediate Similarity | NPC193180 |
0.7059 | Intermediate Similarity | NPC190232 |
0.6897 | Remote Similarity | NPC476683 |
0.6863 | Remote Similarity | NPC103290 |
0.6863 | Remote Similarity | NPC144023 |
0.6833 | Remote Similarity | NPC474415 |
0.6833 | Remote Similarity | NPC474528 |
0.6833 | Remote Similarity | NPC475696 |
0.6825 | Remote Similarity | NPC145715 |
0.6786 | Remote Similarity | NPC200129 |
0.678 | Remote Similarity | NPC123194 |
0.6774 | Remote Similarity | NPC311809 |
0.6721 | Remote Similarity | NPC469769 |
0.6719 | Remote Similarity | NPC473959 |
0.6667 | Remote Similarity | NPC183670 |
0.6613 | Remote Similarity | NPC472304 |
0.6613 | Remote Similarity | NPC474455 |
0.6613 | Remote Similarity | NPC475716 |
0.6613 | Remote Similarity | NPC474454 |
0.6613 | Remote Similarity | NPC276764 |
0.6613 | Remote Similarity | NPC474420 |
0.66 | Remote Similarity | NPC239039 |
0.6557 | Remote Similarity | NPC474457 |
0.6415 | Remote Similarity | NPC473912 |
0.6406 | Remote Similarity | NPC469728 |
0.6406 | Remote Similarity | NPC79576 |
0.6406 | Remote Similarity | NPC282694 |
0.6406 | Remote Similarity | NPC194208 |
0.6346 | Remote Similarity | NPC227632 |
0.6346 | Remote Similarity | NPC62086 |
0.6346 | Remote Similarity | NPC78551 |
0.6316 | Remote Similarity | NPC17810 |
0.6308 | Remote Similarity | NPC174956 |
0.6296 | Remote Similarity | NPC60556 |
0.6296 | Remote Similarity | NPC109813 |
0.6296 | Remote Similarity | NPC86538 |
0.6275 | Remote Similarity | NPC48638 |
0.6275 | Remote Similarity | NPC45727 |
0.6271 | Remote Similarity | NPC306195 |
0.6271 | Remote Similarity | NPC181255 |
0.6271 | Remote Similarity | NPC35519 |
0.6271 | Remote Similarity | NPC179169 |
0.6271 | Remote Similarity | NPC157781 |
0.625 | Remote Similarity | NPC213749 |
0.625 | Remote Similarity | NPC127582 |
0.625 | Remote Similarity | NPC317778 |
0.6232 | Remote Similarity | NPC184919 |
0.623 | Remote Similarity | NPC470893 |
0.6226 | Remote Similarity | NPC218918 |
0.6226 | Remote Similarity | NPC120926 |
0.6212 | Remote Similarity | NPC285371 |
0.6212 | Remote Similarity | NPC475124 |
0.6212 | Remote Similarity | NPC469662 |
0.62 | Remote Similarity | NPC92224 |
0.619 | Remote Similarity | NPC60772 |
0.6102 | Remote Similarity | NPC214584 |
0.6102 | Remote Similarity | NPC26906 |
0.6071 | Remote Similarity | NPC49088 |
0.6066 | Remote Similarity | NPC5626 |
0.6061 | Remote Similarity | NPC474086 |
0.6061 | Remote Similarity | NPC197238 |
0.6061 | Remote Similarity | NPC202118 |
0.6042 | Remote Similarity | NPC3649 |
0.6032 | Remote Similarity | NPC11130 |
0.6029 | Remote Similarity | NPC242945 |
0.6029 | Remote Similarity | NPC37792 |
0.6029 | Remote Similarity | NPC176171 |
0.6029 | Remote Similarity | NPC222366 |
0.6029 | Remote Similarity | NPC259156 |
0.6029 | Remote Similarity | NPC279434 |
0.6029 | Remote Similarity | NPC476039 |
0.6029 | Remote Similarity | NPC92327 |
0.6029 | Remote Similarity | NPC202017 |
0.6029 | Remote Similarity | NPC286669 |
0.6 | Remote Similarity | NPC177112 |
0.6 | Remote Similarity | NPC71506 |
0.6 | Remote Similarity | NPC176621 |
0.5965 | Remote Similarity | NPC323445 |
0.5962 | Remote Similarity | NPC266298 |
0.5942 | Remote Similarity | NPC290350 |
0.5942 | Remote Similarity | NPC197805 |
0.5942 | Remote Similarity | NPC4370 |
0.5942 | Remote Similarity | NPC176107 |
0.5942 | Remote Similarity | NPC193770 |
0.5942 | Remote Similarity | NPC171225 |
0.5938 | Remote Similarity | NPC27610 |
0.5938 | Remote Similarity | NPC56905 |
0.5932 | Remote Similarity | NPC476681 |
0.5909 | Remote Similarity | NPC219621 |
0.5909 | Remote Similarity | NPC60565 |
0.5902 | Remote Similarity | NPC474416 |
0.5902 | Remote Similarity | NPC14002 |
0.5902 | Remote Similarity | NPC127944 |
0.5902 | Remote Similarity | NPC268564 |
0.5902 | Remote Similarity | NPC476679 |
0.5902 | Remote Similarity | NPC23117 |
0.5882 | Remote Similarity | NPC282119 |
0.5882 | Remote Similarity | NPC163678 |
0.5873 | Remote Similarity | NPC179024 |
0.5857 | Remote Similarity | NPC216460 |
0.5857 | Remote Similarity | NPC208999 |
0.5857 | Remote Similarity | NPC20610 |
0.5857 | Remote Similarity | NPC82477 |
0.5857 | Remote Similarity | NPC310992 |
0.5857 | Remote Similarity | NPC142754 |
0.5857 | Remote Similarity | NPC260474 |
0.5857 | Remote Similarity | NPC39157 |
0.5857 | Remote Similarity | NPC296697 |
0.5857 | Remote Similarity | NPC476945 |
0.5857 | Remote Similarity | NPC188292 |
0.5846 | Remote Similarity | NPC472827 |
0.5846 | Remote Similarity | NPC152211 |
0.5846 | Remote Similarity | NPC28755 |
0.5846 | Remote Similarity | NPC309825 |
0.5833 | Remote Similarity | NPC244038 |
0.5833 | Remote Similarity | NPC471681 |
0.5821 | Remote Similarity | NPC81615 |
0.5821 | Remote Similarity | NPC283247 |
0.5797 | Remote Similarity | NPC323005 |
0.5797 | Remote Similarity | NPC255781 |
0.5775 | Remote Similarity | NPC139397 |
0.5775 | Remote Similarity | NPC138409 |
0.5775 | Remote Similarity | NPC286814 |
0.5775 | Remote Similarity | NPC474248 |
0.5775 | Remote Similarity | NPC182815 |
0.5758 | Remote Similarity | NPC135648 |
0.5735 | Remote Similarity | NPC6697 |
0.5735 | Remote Similarity | NPC52449 |
0.5735 | Remote Similarity | NPC169275 |
0.5714 | Remote Similarity | NPC141777 |
0.5714 | Remote Similarity | NPC166362 |
0.5714 | Remote Similarity | NPC220210 |
0.5714 | Remote Similarity | NPC227670 |
0.5714 | Remote Similarity | NPC200258 |
0.5714 | Remote Similarity | NPC20181 |
0.5714 | Remote Similarity | NPC206088 |
0.5694 | Remote Similarity | NPC282593 |
0.5694 | Remote Similarity | NPC307176 |
0.5694 | Remote Similarity | NPC475728 |
0.5694 | Remote Similarity | NPC260040 |
0.5694 | Remote Similarity | NPC92801 |
0.5694 | Remote Similarity | NPC251929 |
0.5694 | Remote Similarity | NPC2634 |
0.5694 | Remote Similarity | NPC34834 |
0.5694 | Remote Similarity | NPC265782 |
0.5694 | Remote Similarity | NPC35734 |
0.5694 | Remote Similarity | NPC159577 |
0.5692 | Remote Similarity | NPC170799 |
0.5692 | Remote Similarity | NPC308108 |
0.5672 | Remote Similarity | NPC213152 |
0.5652 | Remote Similarity | NPC268039 |
0.5652 | Remote Similarity | NPC251118 |
0.5652 | Remote Similarity | NPC107258 |
0.5634 | Remote Similarity | NPC94192 |
0.5634 | Remote Similarity | NPC32055 |
0.5634 | Remote Similarity | NPC96484 |
0.5634 | Remote Similarity | NPC160209 |
0.5634 | Remote Similarity | NPC87141 |
0.5634 | Remote Similarity | NPC155198 |
0.5625 | Remote Similarity | NPC318036 |
0.5625 | Remote Similarity | NPC39068 |
0.5625 | Remote Similarity | NPC141699 |
0.5625 | Remote Similarity | NPC264779 |
0.5616 | Remote Similarity | NPC190035 |
0.5616 | Remote Similarity | NPC160817 |
0.5616 | Remote Similarity | NPC54123 |
0.5616 | Remote Similarity | NPC470078 |
0.5616 | Remote Similarity | NPC23954 |
0.5616 | Remote Similarity | NPC242992 |
0.5616 | Remote Similarity | NPC265789 |
0.5616 | Remote Similarity | NPC164022 |
0.5616 | Remote Similarity | NPC115023 |
0.5616 | Remote Similarity | NPC474562 |
0.5616 | Remote Similarity | NPC21773 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC473728 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 |
---|---|---|---|
0.7083 | Intermediate Similarity | NPD319 | Phase 1 |
0.7059 | Intermediate Similarity | NPD1799 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD8262 | Approved |
0.5857 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.5775 | Remote Similarity | NPD4137 | Phase 3 |
0.5694 | Remote Similarity | NPD4747 | Approved |
0.5694 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.5694 | Remote Similarity | NPD4691 | Approved |
0.5694 | Remote Similarity | NPD6939 | Phase 2 |
0.5692 | Remote Similarity | NPD287 | Approved |
0.5616 | Remote Similarity | NPD4243 | Approved |
PubChem CID   | 44566866 |
ChEMBL   | CHEMBL450466 |
ZINC   |
Molecular Weight:   | 238.18 |
ALogP:   | 2.3354 |
MLogP:   | 3 |
XLogP:   | 5.672 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 38.8 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 16 |