Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO16497 | Trichosanthes kirilowii maxim | Species | Cucurbitaceae | Eukaryota | TCMSP* | |||
NPO5645 | Silybum marianum | Species | Asteraceae | Eukaryota | TCMSP* | |||
NPO2088 | Bamusaeconcretiosilicea | NA | NA | NA | TCMSP* | |||
NPO22109.8 | Streptomyces clavuligerus np1 | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | TM-MC* | |||
NPO14964 | Calvatia gigantea | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO17030 | Calvatia lilacina | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | TM-MC* | |||
NPO2831 | Cornu saigae tataricae | NA | NA | NA | TCMID* | |||
NPO29390 | Semen juglandis | NA | NA | NA | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[9554495] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[17384003] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[14637266] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[2026685] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[19006102] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO21658 | Saccharomyces cerevisiae | Species | Saccharomycetaceae | Eukaryota |
PMID[24678285] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 660 | mg/kg | 7086831 |
NPT2 | Others | Unspecified | EC50 | = | 20000 | nM | 12729634 | |
NPT2979 | Individual Protein | Carboxypeptidase A1 | Bos taurus | Ki | = | 350000 | nM | 11831903 |
NPT832 | Individual Protein | Kinesin-like protein 1 | Homo sapiens | IC50 | > | 63000 | nM | 17524640 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | > | 50000 | nM | 17524640 |
NPT2 | Others | Unspecified | Activity | = | 24 | % | 18926709 | |
NPT2 | Others | Unspecified | Activity | = | 23 | % | 18926709 | |
NPT2 | Others | Unspecified | Activity | = | 44 | % | 18926709 | |
NPT1 | Others | Radical scavenging activity | Activity | = | 92 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 74.35 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 77.34 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 80.35 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 80.36 | % | 18926709 | |
NPT2 | Others | Unspecified | IC50 | = | 748000 | nM | 15730241 | |
NPT2 | Others | Unspecified | Activity | = | 69 | % | 19261478 | |
NPT5463 | Individual Protein | Cystine/glutamate transporter | Homo sapiens | Ki | = | 59000 | nM | 19932968 |
NPT5463 | Individual Protein | Cystine/glutamate transporter | Homo sapiens | Activity | = | 13 | % | 19932968 |
NPT5463 | Individual Protein | Cystine/glutamate transporter | Homo sapiens | IC50 | = | 116000 | nM | 19932968 |
NPT5463 | Individual Protein | Cystine/glutamate transporter | Homo sapiens | Activity | = | 22 | % | 21669531 |
NPT2 | Others | Unspecified | Activity | = | 90 | % | 21669531 | |
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | Ki | = | 46000000 | nM | 21955456 |
NPT2 | Others | Unspecified | IC50 | = | 322000 | nM | 22494841 | |
NPT5464 | Individual Protein | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | Crotalus adamanteus | IC50 | = | 748000 | nM | 10.1007/s00044-013-0523-6 |
NPT4278 | Individual Protein | Serine palmitoyltransferase | Sphingomonas paucimobilis | Activity | = | 24 | % | 10.1039/C2MD20020A |
NPT4278 | Individual Protein | Serine palmitoyltransferase | Sphingomonas paucimobilis | Activity | = | 83 | % | 10.1039/C2MD20020A |
NPT2 | Others | Unspecified | IC50 | = | 8700000 | nM | 209189 | |
NPT2 | Others | Unspecified | Activity | = | 16 | % | 722714 | |
NPT2 | Others | Unspecified | Activity | = | 51 | % | 722714 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 0 | % | 364061 |
NPT2 | Others | Unspecified | IC50 | = | 18400 | nM | 27017266 | |
NPT2 | Others | Unspecified | IC50 | = | 19200 | nM | 27017266 | |
NPT2 | Others | Unspecified | Ratio | = | 0.63 | 27017266 | ||
NPT2 | Others | Unspecified | Ratio | = | 0.49 | 27017266 |
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 NPC254482 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 |
---|---|---|
1.0 | High Similarity | NPC317691 |
1.0 | High Similarity | NPC326808 |
1.0 | High Similarity | NPC110533 |
0.9048 | High Similarity | NPC49952 |
0.9048 | High Similarity | NPC136476 |
0.8605 | High Similarity | NPC213876 |
0.8605 | High Similarity | NPC228932 |
0.8605 | High Similarity | NPC185755 |
0.8409 | Intermediate Similarity | NPC204364 |
0.8409 | Intermediate Similarity | NPC118187 |
0.8222 | Intermediate Similarity | NPC318523 |
0.8205 | Intermediate Similarity | NPC21290 |
0.8205 | Intermediate Similarity | NPC116709 |
0.8205 | Intermediate Similarity | NPC272614 |
0.8043 | Intermediate Similarity | NPC170739 |
0.8043 | Intermediate Similarity | NPC193989 |
0.8043 | Intermediate Similarity | NPC152451 |
0.8 | Intermediate Similarity | NPC63621 |
0.7955 | Intermediate Similarity | NPC191136 |
0.7872 | Intermediate Similarity | NPC319175 |
0.7872 | Intermediate Similarity | NPC125736 |
0.7872 | Intermediate Similarity | NPC114990 |
0.7551 | Intermediate Similarity | NPC317815 |
0.7442 | Intermediate Similarity | NPC121517 |
0.7442 | Intermediate Similarity | NPC326992 |
0.7442 | Intermediate Similarity | NPC326212 |
0.7442 | Intermediate Similarity | NPC53449 |
0.7442 | Intermediate Similarity | NPC168375 |
0.7442 | Intermediate Similarity | NPC237525 |
0.74 | Intermediate Similarity | NPC145235 |
0.7391 | Intermediate Similarity | NPC198196 |
0.7391 | Intermediate Similarity | NPC306238 |
0.7391 | Intermediate Similarity | NPC248970 |
0.7273 | Intermediate Similarity | NPC226265 |
0.7273 | Intermediate Similarity | NPC219143 |
0.7255 | Intermediate Similarity | NPC102815 |
0.7111 | Intermediate Similarity | NPC167986 |
0.7111 | Intermediate Similarity | NPC291186 |
0.7 | Intermediate Similarity | NPC114517 |
0.6981 | Remote Similarity | NPC82239 |
0.6981 | Remote Similarity | NPC283786 |
0.6957 | Remote Similarity | NPC325097 |
0.6957 | Remote Similarity | NPC126925 |
0.6957 | Remote Similarity | NPC132307 |
0.6957 | Remote Similarity | NPC198301 |
0.6842 | Remote Similarity | NPC126681 |
0.6809 | Remote Similarity | NPC327698 |
0.6809 | Remote Similarity | NPC329263 |
0.6809 | Remote Similarity | NPC118459 |
0.6809 | Remote Similarity | NPC285322 |
0.6809 | Remote Similarity | NPC208793 |
0.6667 | Remote Similarity | NPC66043 |
0.6667 | Remote Similarity | NPC309658 |
0.6667 | Remote Similarity | NPC297220 |
0.6607 | Remote Similarity | NPC321419 |
0.6579 | Remote Similarity | NPC320704 |
0.6552 | Remote Similarity | NPC289691 |
0.6531 | Remote Similarity | NPC181588 |
0.6531 | Remote Similarity | NPC136159 |
0.6531 | Remote Similarity | NPC316168 |
0.6512 | Remote Similarity | NPC9294 |
0.6441 | Remote Similarity | NPC174304 |
0.6441 | Remote Similarity | NPC325597 |
0.64 | Remote Similarity | NPC140872 |
0.64 | Remote Similarity | NPC93081 |
0.64 | Remote Similarity | NPC153370 |
0.6275 | Remote Similarity | NPC324825 |
0.6275 | Remote Similarity | NPC245027 |
0.6275 | Remote Similarity | NPC286989 |
0.6275 | Remote Similarity | NPC62045 |
0.6275 | Remote Similarity | NPC112890 |
0.6275 | Remote Similarity | NPC43204 |
0.6275 | Remote Similarity | NPC174246 |
0.6275 | Remote Similarity | NPC93888 |
0.6275 | Remote Similarity | NPC226027 |
0.6275 | Remote Similarity | NPC84636 |
0.6275 | Remote Similarity | NPC162620 |
0.6275 | Remote Similarity | NPC316231 |
0.6275 | Remote Similarity | NPC270805 |
0.6222 | Remote Similarity | NPC18188 |
0.6154 | Remote Similarity | NPC137958 |
0.6154 | Remote Similarity | NPC315977 |
0.6154 | Remote Similarity | NPC273330 |
0.6038 | Remote Similarity | NPC200550 |
0.6038 | Remote Similarity | NPC155156 |
0.5962 | Remote Similarity | NPC328378 |
0.5926 | Remote Similarity | NPC197087 |
0.5926 | Remote Similarity | NPC329495 |
0.5926 | Remote Similarity | NPC190184 |
0.5909 | Remote Similarity | NPC134570 |
0.5873 | Remote Similarity | NPC319046 |
0.5818 | Remote Similarity | NPC322091 |
0.5818 | Remote Similarity | NPC279661 |
0.5818 | Remote Similarity | NPC321118 |
0.5818 | Remote Similarity | NPC183845 |
0.5818 | Remote Similarity | NPC316889 |
0.5818 | Remote Similarity | NPC60672 |
0.5781 | Remote Similarity | NPC126779 |
0.5758 | Remote Similarity | NPC315897 |
0.5714 | Remote Similarity | NPC276294 |
0.5714 | Remote Similarity | NPC327831 |
0.5714 | Remote Similarity | NPC2801 |
0.5714 | Remote Similarity | NPC10915 |
0.5714 | Remote Similarity | NPC107645 |
0.5714 | Remote Similarity | NPC16947 |
0.5652 | Remote Similarity | NPC69179 |
0.5652 | Remote Similarity | NPC216443 |
0.5614 | Remote Similarity | NPC325985 |
0.5614 | Remote Similarity | NPC38463 |
0.56 | Remote Similarity | NPC323974 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC254482 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 |
---|---|---|---|
1.0 | High Similarity | NPD8214 | Approved |
1.0 | High Similarity | NPD8215 | Approved |
0.8605 | High Similarity | NPD8982 | Approved |
0.8222 | Intermediate Similarity | NPD8873 | Approved |
0.8205 | Intermediate Similarity | NPD8210 | Phase 3 |
0.8205 | Intermediate Similarity | NPD8211 | Approved |
0.8043 | Intermediate Similarity | NPD8802 | Approved |
0.8043 | Intermediate Similarity | NPD8803 | Clinical (unspecified phase) |
0.8043 | Intermediate Similarity | NPD9021 | Approved |
0.7872 | Intermediate Similarity | NPD9025 | Approved |
0.7778 | Intermediate Similarity | NPD8801 | Approved |
0.7551 | Intermediate Similarity | NPD8849 | Clinical (unspecified phase) |
0.7391 | Intermediate Similarity | NPD9020 | Approved |
0.7391 | Intermediate Similarity | NPD8870 | Approved |
0.7273 | Intermediate Similarity | NPD8216 | Approved |
0.7273 | Intermediate Similarity | NPD8217 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD8804 | Approved |
0.7111 | Intermediate Similarity | NPD8805 | Approved |
0.7083 | Intermediate Similarity | NPD9214 | Phase 3 |
0.7083 | Intermediate Similarity | NPD9213 | Approved |
0.6957 | Remote Similarity | NPD8798 | Approved |
0.6852 | Remote Similarity | NPD8848 | Approved |
0.6842 | Remote Similarity | NPD7371 | Approved |
0.6809 | Remote Similarity | NPD8610 | Approved |
0.6735 | Remote Similarity | NPD8577 | Discontinued |
0.6596 | Remote Similarity | NPD8869 | Approved |
0.6531 | Remote Similarity | NPD8209 | Phase 2 |
0.6531 | Remote Similarity | NPD8208 | Clinical (unspecified phase) |
0.6531 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD329 | Discontinued |
0.6441 | Remote Similarity | NPD348 | Approved |
0.64 | Remote Similarity | NPD8808 | Approved |
0.64 | Remote Similarity | NPD8614 | Approved |
0.64 | Remote Similarity | NPD8809 | Approved |
0.6316 | Remote Similarity | NPD7367 | Approved |
0.6316 | Remote Similarity | NPD51 | Approved |
0.6316 | Remote Similarity | NPD7368 | Approved |
0.6275 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD8624 | Approved |
0.6275 | Remote Similarity | NPD9044 | Approved |
0.6275 | Remote Similarity | NPD9018 | Approved |
0.6275 | Remote Similarity | NPD9017 | Approved |
0.6226 | Remote Similarity | NPD9420 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD8623 | Phase 1 |
0.617 | Remote Similarity | NPD8609 | Approved |
0.6154 | Remote Similarity | NPD8872 | Phase 3 |
0.6154 | Remote Similarity | NPD8871 | Approved |
0.5968 | Remote Similarity | NPD886 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD8851 | Phase 1 |
0.5926 | Remote Similarity | NPD8785 | Approved |
0.5873 | Remote Similarity | NPD4241 | Registered |
0.5873 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD337 | Discontinued |
0.5781 | Remote Similarity | NPD4242 | Approved |
0.5763 | Remote Similarity | NPD902 | Approved |
0.5758 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD9386 | Approved |
0.5606 | Remote Similarity | NPD2262 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD9019 | Approved |
PubChem CID   | 5862;6419722 |
ChEMBL   | CHEMBL863 |
ZINC   |
Molecular Weight:   | 121.02 |
ALogP:   | -0.6242 |
MLogP:   | 1.35 |
XLogP:   | -2.575 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 102.12 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |