Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | = | 0 | mm | 15387645 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | IZ | = | 0 | mm | 22578460 |
NPT2 | Others | Unspecified | IC50 | = | 8880 | nM | 18280170 | |
NPT2 | Others | Unspecified | IC50 | = | 3950 | nM | 8496706 | |
NPT2 | Others | Unspecified | IC50 | = | 9840 | nM | 8496706 | |
NPT2 | Others | Unspecified | IC50 | = | 4650 | nM | 8496706 | |
NPT20 | Organism | Candida albicans | Candida albicans | IZ | = | 0 | mm | 18020309 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IZ | = | 0 | mm | 17428663 |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | = | 37.5 | ug/ml | 25304895 |
NPT737 | Cell Line | HUVEC | Homo sapiens | GI50 | = | 38.2 | ug/ml | 25304895 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | = | 0 | mm | 21074425 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 0 | mm | 21074425 |
NPT184 | Organism | Aspergillus terreus | Aspergillus terreus | IZ | = | 15 | mm | 20022253 |
NPT3473 | Organism | Mycobacterium vaccae | Mycobacterium vaccae | IZ | = | 12 | mm | 18989978 |
NPT2 | Others | Unspecified | IC50 | = | 9490 | nM | 18411326 | |
NPT2 | Others | Unspecified | IC50 | = | 5420 | nM | 18411326 | |
NPT2 | Others | Unspecified | IC50 | = | 8010 | nM | 18411326 | |
NPT2 | Others | Unspecified | IC50 | = | 8570 | nM | 18411326 | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 0 | mm | 19581457 |
NPT2 | Others | Unspecified | IC50 | = | 1150 | nM | 23691952 | |
NPT2242 | Organism | Penicillium chrysogenum | Penicillium chrysogenum | IZ | = | 0 | mm | 23972215 |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | IZ | = | 13 | mm | 25554367 |
NPT21 | Organism | Aspergillus niger | Aspergillus niger | IZ | = | 0 | mm | 25554367 |
NPT2 | Others | Unspecified | IC50 | = | 5990 | nM | 12542359 | |
NPT2 | Others | Unspecified | IC50 | = | 3740 | nM | 23350733 | |
NPT2 | Others | Unspecified | IC50 | = | 1200 | nM | 23350733 | |
NPT19 | Organism | Escherichia coli | Escherichia coli | IZ | = | 0 | mm | 10.1016/j.cropro.2005.01.009 |
NPT165 | Cell Line | HeLa | Homo sapiens | CC50 | = | 40.5 | ug/ml | 19450986 |
NPT3474 | Organism | Sporidiobolus salmonicolor | Sporidiobolus salmonicolor | IZ | = | 14 | mm | 19949057 |
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 NPC470666 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 |
---|---|---|
0.8148 | Intermediate Similarity | NPC470664 |
0.6984 | Remote Similarity | NPC470665 |
0.623 | Remote Similarity | NPC270041 |
0.6212 | Remote Similarity | NPC51166 |
0.6066 | Remote Similarity | NPC123814 |
0.6066 | Remote Similarity | NPC474322 |
0.6 | Remote Similarity | NPC105488 |
0.5932 | Remote Similarity | NPC96966 |
0.5932 | Remote Similarity | NPC121062 |
0.5932 | Remote Similarity | NPC29222 |
0.5806 | Remote Similarity | NPC137327 |
0.5775 | Remote Similarity | NPC470663 |
0.5763 | Remote Similarity | NPC289484 |
0.5763 | Remote Similarity | NPC319709 |
0.5735 | Remote Similarity | NPC17455 |
0.5735 | Remote Similarity | NPC145627 |
0.5692 | Remote Similarity | NPC8979 |
0.5625 | Remote Similarity | NPC471917 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470666 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 |
---|---|---|---|
0.6066 | Remote Similarity | NPD3215 | Phase 1 |
0.6 | Remote Similarity | NPD8198 | Approved |
0.6 | Remote Similarity | NPD8197 | Approved |
0.5862 | Remote Similarity | NPD1152 | Phase 2 |
0.5763 | Remote Similarity | NPD379 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD3211 | Approved |
0.5738 | Remote Similarity | NPD3214 | Discontinued |
0.5676 | Remote Similarity | NPD3187 | Discontinued |
0.5667 | Remote Similarity | NPD362 | Phase 1 |
PubChem CID   | |
ChEMBL   | CHEMBL2152473 |
ZINC   |
Molecular Weight:   | 259.19 |
ALogP:   | -2.7028 |
MLogP:   | 2.12 |
XLogP:   | 2.477 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 94.42 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 18 |