Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO2554 | Biancaea sappan | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO29132 | Agaricus campestris | Species | Agaricaceae | Eukaryota | TCMID* | |||
NPO11969 | Cyprinus carpio | Species | Cyprinidae | Eukaryota | TCMID* | |||
NPO21963 | Hypericum japonicum | Species | Hypericaceae | Eukaryota | TCMID* | |||
NPO11969 | Cyprinus carpio | Species | Cyprinidae | Eukaryota | TCM_Taiwan* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva | DOI[10.1007/s11306-015-0840-5] | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[19309105] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[6207480] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[20669995] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO29132 | Agaricus campestris | Species | Agaricaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 350000 | nM | 2549245 | |
NPT56 | Individual Protein | Beta-lactamase AmpC | Escherichia coli K-12 | Potency | = | 100000 | nM | PubChem BioAssay data set |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 4147.5 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 25118.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 1995.3 | nM | PubChem BioAssay data set | ||
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | Ki | = | 1900000 | nM | 21955456 |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 183.6 | nM | PubChem BioAssay data set | |
NPT160 | Individual Protein | TAR DNA-binding protein 43 | Homo sapiens | Potency | 35481.3 | nM | 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 NPC134570 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 |
---|---|---|
0.8857 | High Similarity | NPC216443 |
0.8125 | Intermediate Similarity | NPC126681 |
0.8 | Intermediate Similarity | NPC198301 |
0.7561 | Intermediate Similarity | NPC40511 |
0.7429 | Intermediate Similarity | NPC59650 |
0.7105 | Intermediate Similarity | NPC21290 |
0.7105 | Intermediate Similarity | NPC116709 |
0.7105 | Intermediate Similarity | NPC272614 |
0.6923 | Remote Similarity | NPC69179 |
0.6818 | Remote Similarity | NPC195448 |
0.6757 | Remote Similarity | NPC260324 |
0.6585 | Remote Similarity | NPC274550 |
0.65 | Remote Similarity | NPC63621 |
0.6458 | Remote Similarity | NPC200550 |
0.6458 | Remote Similarity | NPC155156 |
0.6429 | Remote Similarity | NPC326992 |
0.6429 | Remote Similarity | NPC168375 |
0.6429 | Remote Similarity | NPC121517 |
0.6429 | Remote Similarity | NPC53449 |
0.6316 | Remote Similarity | NPC114517 |
0.6154 | Remote Similarity | NPC328729 |
0.6136 | Remote Similarity | NPC167986 |
0.6136 | Remote Similarity | NPC291186 |
0.6087 | Remote Similarity | NPC297220 |
0.6047 | Remote Similarity | NPC326212 |
0.6047 | Remote Similarity | NPC237525 |
0.6 | Remote Similarity | NPC132307 |
0.6 | Remote Similarity | NPC325097 |
0.6 | Remote Similarity | NPC126925 |
0.5909 | Remote Similarity | NPC326808 |
0.5909 | Remote Similarity | NPC226265 |
0.5909 | Remote Similarity | NPC254482 |
0.5909 | Remote Similarity | NPC317691 |
0.5909 | Remote Similarity | NPC110533 |
0.5909 | Remote Similarity | NPC219143 |
0.587 | Remote Similarity | NPC327698 |
0.587 | Remote Similarity | NPC118459 |
0.5854 | Remote Similarity | NPC9294 |
0.5854 | Remote Similarity | NPC1591 |
0.5849 | Remote Similarity | NPC283786 |
0.5814 | Remote Similarity | NPC327250 |
0.5741 | Remote Similarity | NPC11433 |
0.5741 | Remote Similarity | NPC245346 |
0.5741 | Remote Similarity | NPC302003 |
0.5714 | Remote Similarity | NPC328378 |
0.5682 | Remote Similarity | NPC66043 |
0.5636 | Remote Similarity | NPC276928 |
0.5636 | Remote Similarity | NPC64250 |
0.5636 | Remote Similarity | NPC268927 |
0.5625 | Remote Similarity | NPC204364 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC134570 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 |
---|---|---|---|
0.8125 | Intermediate Similarity | NPD7371 | Approved |
0.8 | Intermediate Similarity | NPD8800 | Approved |
0.75 | Intermediate Similarity | NPD7368 | Approved |
0.75 | Intermediate Similarity | NPD51 | Approved |
0.75 | Intermediate Similarity | NPD7367 | Approved |
0.7429 | Intermediate Similarity | NPD8795 | Approved |
0.7429 | Intermediate Similarity | NPD8799 | Approved |
0.7429 | Intermediate Similarity | NPD8796 | Approved |
0.7105 | Intermediate Similarity | NPD8211 | Approved |
0.7105 | Intermediate Similarity | NPD8210 | Phase 3 |
0.6818 | Remote Similarity | NPD8621 | Approved |
0.6429 | Remote Similarity | NPD335 | Approved |
0.6429 | Remote Similarity | NPD331 | Approved |
0.6279 | Remote Similarity | NPD1433 | Approved |
0.6279 | Remote Similarity | NPD1437 | Approved |
0.6279 | Remote Similarity | NPD334 | Phase 3 |
0.6154 | Remote Similarity | NPD8556 | Phase 3 |
0.6136 | Remote Similarity | NPD8805 | Approved |
0.6136 | Remote Similarity | NPD8804 | Approved |
0.6 | Remote Similarity | NPD8798 | Approved |
0.6 | Remote Similarity | NPD2260 | Approved |
0.6 | Remote Similarity | NPD2261 | Phase 3 |
0.5962 | Remote Similarity | NPD8864 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD336 | Approved |
0.5952 | Remote Similarity | NPD333 | Approved |
0.5952 | Remote Similarity | NPD332 | Approved |
0.5952 | Remote Similarity | NPD330 | Approved |
0.5909 | Remote Similarity | NPD8217 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD8214 | Approved |
0.5909 | Remote Similarity | NPD8215 | Approved |
0.5909 | Remote Similarity | NPD8216 | Approved |
0.5882 | Remote Similarity | NPD8545 | Approved |
0.5854 | Remote Similarity | NPD9235 | Approved |
0.5854 | Remote Similarity | NPD9236 | Approved |
0.5814 | Remote Similarity | NPD1438 | Approved |
0.5814 | Remote Similarity | NPD1434 | Approved |
0.5814 | Remote Similarity | NPD1435 | Approved |
0.5814 | Remote Similarity | NPD1436 | Approved |
0.5745 | Remote Similarity | NPD8801 | Approved |
0.5741 | Remote Similarity | NPD8848 | Approved |
0.5741 | Remote Similarity | NPD8865 | Approved |
0.5714 | Remote Similarity | NPD2264 | Approved |
0.5714 | Remote Similarity | NPD2265 | Approved |
PubChem CID   | 1088;7311726 |
ChEMBL   | CHEMBL304383 |
ZINC   |
Molecular Weight:   | 89.05 |
ALogP:   | -0.7597 |
MLogP:   | 1.46 |
XLogP:   | -0.794 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 49.33 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 6 |