Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 0 | mm | 23282042 |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | IZ | = | 0 | mm | 19097799 |
NPT3473 | Organism | Mycobacterium vaccae | Mycobacterium vaccae | IZ | = | 0 | mm | 1336040 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 0 | mm | 17428663 |
NPT20 | Organism | Candida albicans | Candida albicans | IZ | = | 0 | mm | 25419616 |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | = | 30.3 | ug/ml | 25304895 |
NPT165 | Cell Line | HeLa | Homo sapiens | CC50 | > | 50 | ug/ml | 25304895 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | = | 0 | mm | 23398362 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IZ | = | 10 | mm | 23465614 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | IZ | = | 10 | mm | 3598597 |
NPT184 | Organism | Aspergillus terreus | Aspergillus terreus | IZ | = | 0 | mm | 18348535 |
NPT737 | Cell Line | HUVEC | Homo sapiens | GI50 | = | 31.2 | ug/ml | 17923492 |
NPT19 | Organism | Escherichia coli | Escherichia coli | IZ | = | 0 | mm | 19581457 |
NPT2242 | Organism | Penicillium chrysogenum | Penicillium chrysogenum | IZ | = | 0 | mm | 21652215 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | = | 10 | mm | 22037378 |
NPT21 | Organism | Aspergillus niger | Aspergillus niger | IZ | = | 0 | mm | 25554367 |
NPT3474 | Organism | Sporidiobolus salmonicolor | Sporidiobolus salmonicolor | IZ | = | 0 | mm | 19752282 |
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 NPC470663 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 |
---|---|---|
0.9194 | High Similarity | NPC51166 |
0.8406 | Intermediate Similarity | NPC470662 |
0.6923 | Remote Similarity | NPC470664 |
0.6528 | Remote Similarity | NPC47333 |
0.6438 | Remote Similarity | NPC55068 |
0.6429 | Remote Similarity | NPC168308 |
0.6429 | Remote Similarity | NPC302569 |
0.6364 | Remote Similarity | NPC103712 |
0.6364 | Remote Similarity | NPC291196 |
0.6301 | Remote Similarity | NPC470665 |
0.629 | Remote Similarity | NPC46248 |
0.629 | Remote Similarity | NPC249801 |
0.625 | Remote Similarity | NPC288086 |
0.6184 | Remote Similarity | NPC113224 |
0.6076 | Remote Similarity | NPC324638 |
0.6049 | Remote Similarity | NPC470993 |
0.6049 | Remote Similarity | NPC470992 |
0.5976 | Remote Similarity | NPC3094 |
0.593 | Remote Similarity | NPC82799 |
0.5862 | Remote Similarity | NPC474312 |
0.5823 | Remote Similarity | NPC474812 |
0.5795 | Remote Similarity | NPC228638 |
0.5783 | Remote Similarity | NPC212008 |
0.5783 | Remote Similarity | NPC51055 |
0.5783 | Remote Similarity | NPC62293 |
0.5783 | Remote Similarity | NPC140327 |
0.5783 | Remote Similarity | NPC264417 |
0.5783 | Remote Similarity | NPC217095 |
0.5775 | Remote Similarity | NPC470666 |
0.5732 | Remote Similarity | NPC314678 |
0.573 | Remote Similarity | NPC470943 |
0.5676 | Remote Similarity | NPC321030 |
0.5641 | Remote Similarity | NPC477525 |
0.5634 | Remote Similarity | NPC474496 |
0.5632 | Remote Similarity | NPC79367 |
0.56 | Remote Similarity | NPC325550 |
0.56 | Remote Similarity | NPC329003 |
0.56 | Remote Similarity | NPC326524 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470663 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID   | |
ChEMBL   | CHEMBL2152470 |
ZINC   |
Molecular Weight:   | 274.19 |
ALogP:   | -3.4164 |
MLogP:   | 2.23 |
XLogP:   | 2.651 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 90.8 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 19 |