Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO8686.1 | Streptomyces tropolofaciens k611-97 | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 10000 | nM | 9435892 | |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 260 | nM | 25089179 |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 60000 | nM | 25089179 |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 90000 | nM | 25089179 |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 70000 | nM | 25089179 |
NPT2 | Others | Unspecified | IC50 | = | 8000 | nM | 25089179 | |
NPT2 | Others | Unspecified | IC50 | = | 60000 | nM | 25089179 | |
NPT5876 | Individual Protein | Dopamine beta-hydroxylase | Homo sapiens | IC50 | = | 3000 | nM | 25089179 |
NPT2 | Others | Unspecified | IC50 | = | 20000 | nM | 25089179 | |
NPT2 | Others | Unspecified | IC50 | = | 3200 | nM | 25089179 | |
NPT2 | Others | Unspecified | IC50 | = | 40000 | nM | 25089179 | |
NPT2 | Others | Unspecified | IC50 | = | 11000 | nM | 25089179 | |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | = | 300 | nM | 25089179 |
NPT2 | Others | Unspecified | Inhibition | = | 54 | % | 25089179 | |
NPT2 | Others | Unspecified | Inhibition | = | 2 | % | 25089179 |
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 NPC313553 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 |
---|---|---|
0.7547 | Intermediate Similarity | NPC229046 |
0.7547 | Intermediate Similarity | NPC46565 |
0.7091 | Intermediate Similarity | NPC116366 |
0.6842 | Remote Similarity | NPC297280 |
0.678 | Remote Similarity | NPC281195 |
0.6731 | Remote Similarity | NPC158853 |
0.6667 | Remote Similarity | NPC135537 |
0.6545 | Remote Similarity | NPC221467 |
0.6458 | Remote Similarity | NPC107877 |
0.6441 | Remote Similarity | NPC51846 |
0.6429 | Remote Similarity | NPC43053 |
0.64 | Remote Similarity | NPC8270 |
0.6275 | Remote Similarity | NPC221250 |
0.623 | Remote Similarity | NPC189700 |
0.6111 | Remote Similarity | NPC110396 |
0.6102 | Remote Similarity | NPC129710 |
0.6078 | Remote Similarity | NPC2741 |
0.6071 | Remote Similarity | NPC122212 |
0.6071 | Remote Similarity | NPC137419 |
0.6034 | Remote Similarity | NPC137396 |
0.6032 | Remote Similarity | NPC98519 |
0.6 | Remote Similarity | NPC63598 |
0.6 | Remote Similarity | NPC87137 |
0.6 | Remote Similarity | NPC475618 |
0.5957 | Remote Similarity | NPC304788 |
0.5926 | Remote Similarity | NPC106547 |
0.5926 | Remote Similarity | NPC75134 |
0.5902 | Remote Similarity | NPC324224 |
0.5902 | Remote Similarity | NPC472808 |
0.5846 | Remote Similarity | NPC190049 |
0.5833 | Remote Similarity | NPC98098 |
0.5833 | Remote Similarity | NPC224651 |
0.5821 | Remote Similarity | NPC146811 |
0.5806 | Remote Similarity | NPC474825 |
0.5806 | Remote Similarity | NPC245650 |
0.5806 | Remote Similarity | NPC71755 |
0.5781 | Remote Similarity | NPC130953 |
0.5758 | Remote Similarity | NPC471611 |
0.5735 | Remote Similarity | NPC122627 |
0.5714 | Remote Similarity | NPC107848 |
0.5714 | Remote Similarity | NPC60675 |
0.5714 | Remote Similarity | NPC297363 |
0.5694 | Remote Similarity | NPC122244 |
0.5672 | Remote Similarity | NPC7940 |
0.5652 | Remote Similarity | NPC309466 |
0.5652 | Remote Similarity | NPC63873 |
0.5645 | Remote Similarity | NPC150717 |
0.5625 | Remote Similarity | NPC86789 |
0.5625 | Remote Similarity | NPC97570 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC313553 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 |
---|---|---|---|
0.6731 | Remote Similarity | NPD9090 | Phase 3 |
0.6333 | Remote Similarity | NPD9287 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD9286 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD9297 | Discontinued |
0.6154 | Remote Similarity | NPD9091 | Suspended |
0.5833 | Remote Similarity | NPD8573 | Approved |
0.5789 | Remote Similarity | NPD4220 | Pre-registration |
PubChem CID   | 128646 |
ChEMBL   | CHEMBL135189 |
ZINC   |
Molecular Weight:   | 154.03 |
ALogP:   | -0.5497 |
MLogP:   | 1.79 |
XLogP:   | 1.474 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 77.76 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 1 |
# Heavy Atoms:   | 11 |