Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | = | 0 | mm | 25798528 |
NPT3473 | Organism | Mycobacterium vaccae | Mycobacterium vaccae | IZ | = | 0 | mm | 24582402 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | IZ | = | 0 | mm | PubChem BioAssay data set |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 0 | mm | 16248836 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IZ | = | 0 | mm | 24856903 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 0 | mm | 22921744 |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | > | 50 | ug/ml | 19604701 |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | IZ | = | 0 | mm | 22871217 |
NPT165 | Cell Line | HeLa | Homo sapiens | CC50 | > | 50 | ug/ml | 10.1016/0960-894X(96)00316-2 |
NPT184 | Organism | Aspergillus terreus | Aspergillus terreus | IZ | = | 0 | mm | 17938185 |
NPT737 | Cell Line | HUVEC | Homo sapiens | GI50 | > | 50 | ug/ml | 17923492 |
NPT19 | Organism | Escherichia coli | Escherichia coli | IZ | = | 0 | mm | 19581457 |
NPT2242 | Organism | Penicillium chrysogenum | Penicillium chrysogenum | IZ | = | 0 | mm | 18242997 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | = | 0 | mm | 22037378 |
NPT21 | Organism | Aspergillus niger | Aspergillus niger | IZ | = | 0 | mm | 25554367 |
NPT20 | Organism | Candida albicans | Candida albicans | IZ | = | 0 | mm | 19752282 |
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 NPC470662 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 |
---|---|---|
0.8769 | High Similarity | NPC51166 |
0.8406 | Intermediate Similarity | NPC470663 |
0.7681 | Intermediate Similarity | NPC470665 |
0.6618 | Remote Similarity | NPC470664 |
0.6067 | Remote Similarity | NPC470943 |
0.5857 | Remote Similarity | NPC473487 |
0.5854 | Remote Similarity | NPC97614 |
0.5844 | Remote Similarity | NPC47333 |
0.5843 | Remote Similarity | NPC474312 |
0.5823 | Remote Similarity | NPC296436 |
0.5823 | Remote Similarity | NPC176215 |
0.5769 | Remote Similarity | NPC55068 |
0.5733 | Remote Similarity | NPC302569 |
0.5733 | Remote Similarity | NPC168308 |
0.5694 | Remote Similarity | NPC473705 |
0.5647 | Remote Similarity | NPC470993 |
0.5647 | Remote Similarity | NPC470992 |
0.561 | Remote Similarity | NPC474812 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470662 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 |
---|---|---|---|
0.5769 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
PubChem CID   | |
ChEMBL   | CHEMBL2152469 |
ZINC   |
Molecular Weight:   | 272.17 |
ALogP:   | -2.3445 |
MLogP:   | 2.23 |
XLogP:   | 1.659 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 87.64 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 19 |