*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Organism ID | NP ID | Organism Material Preparation | Organism Part | NP Quantity (Standard) | NP Quantity (Minimum) | NP Quantity (Maximum) | Quantity Unit | Reference |
---|
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1460 | Cell Line | L929 | Mus musculus | MED50 | = | 0.8 | ug ml-1 | PMID[480430] |
NPT1460 | Cell Line | L929 | Mus musculus | Virus rating | = | 3.7 | n.a. | PMID[480430] |
NPT1747 | Individual Protein | Adenylate cyclase type V | Rattus norvegicus | IC50 | = | 82000.0 | nM | PMID[480434] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MNTD | = | 6.0 | ug ml-1 | PMID[480435] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | TD50 | = | 10.0 | ug ml-1 | PMID[480435] |
NPT1353 | Cell Line | CCRF-HSB-2 | Homo sapiens | IC50 | = | 12.9 | ug.mL-1 | PMID[480436] |
NPT137 | Cell Line | L1210 | Mus musculus | IC50 | = | 14200.0 | nM | PMID[480437] |
NPT1751 | Individual Protein | Adenosylhomocysteinase | Mus musculus | Ki | = | 30000.0 | nM | PMID[480438] |
NPT168 | Cell Line | P388 | Mus musculus | ID50 | = | 16.8 | uM | PMID[480439] |
NPT137 | Cell Line | L1210 | Mus musculus | ID50 | = | 21.7 | uM | PMID[480439] |
NPT1754 | Individual Protein | Adenosine deaminase | Bos taurus | Km | = | 43000.0 | nM | PMID[480443] |
NPT1754 | Individual Protein | Adenosine deaminase | Bos taurus | Relative Vmax | = | 1.0 | n.a. | PMID[480443] |
NPT1755 | Individual Protein | Thymidine kinase, cytosolic | Homo sapiens | Km | = | 1500.0 | nM | PMID[480443] |
NPT1755 | Individual Protein | Thymidine kinase, cytosolic | Homo sapiens | Relative Vmax | = | 39.2 | n.a. | PMID[480443] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | Km | = | 2200.0 | nM | PMID[480443] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | Relative Vmax | < | 3.0 | n.a. | PMID[480443] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | Virus rating | = | 2.4 | n.a. | PMID[480444] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | ID50 | = | 4.8 | ug ml-1 | PMID[480444] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MTC | = | 26.8 | ug ml-1 | PMID[480444] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | Therapeutic index | = | 5.6 | n.a. | PMID[480444] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 26.8 | ug.mL-1 | PMID[480447] |
NPT1756 | Cell Line | PRK | IC50 | = | 7.0 | ug.mL-1 | PMID[480449] | |
NPT1756 | Cell Line | PRK | IC50 | = | 3.0 | ug.mL-1 | PMID[480449] | |
NPT1756 | Cell Line | PRK | IC50 | = | 10.0 | ug.mL-1 | PMID[480449] | |
NPT1756 | Cell Line | PRK | IC50 | = | 0.4 | ug.mL-1 | PMID[480449] | |
NPT1756 | Cell Line | PRK | IC50 | = | 20.0 | ug.mL-1 | PMID[480449] | |
NPT1756 | Cell Line | PRK | IC50 | = | 4.0 | ug.mL-1 | PMID[480449] | |
NPT1756 | Cell Line | PRK | IC50 | = | 1.0 | ug.mL-1 | PMID[480449] | |
NPT137 | Cell Line | L1210 | Mus musculus | IC50 | = | 14200.0 | nM | PMID[480450] |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | IC50 | = | 11900.0 | nM | PMID[480450] |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | IC50 | = | 24800.0 | nM | PMID[480450] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | VR | = | 2.1 | n.a. | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 18.0 | ug.mL-1 | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 70000.0 | nM | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | VR | = | 1.7 | n.a. | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 22.0 | ug.mL-1 | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 80000.0 | nM | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | VR | = | 2.0 | n.a. | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 15.0 | ug.mL-1 | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 60000.0 | nM | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | VR | = | 1.3 | n.a. | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 45.0 | ug.mL-1 | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 170000.0 | nM | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | VR | = | 2.4 | n.a. | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 5.0 | ug.mL-1 | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 20000.0 | nM | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | VR | = | 1.2 | n.a. | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 24.0 | ug.mL-1 | PMID[480454] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC50 | = | 90000.0 | nM | PMID[480454] |
NPT1758 | Individual Protein | Hepatitis C virus NS5B RNA-dependent RNA polymerase | Hepatitis C virus | IC50 | = | 50000.0 | nM | PMID[480455] |
NPT1758 | Individual Protein | Hepatitis C virus NS5B RNA-dependent RNA polymerase | Hepatitis C virus | EC50 | > | 50000.0 | nM | PMID[480455] |
NPT1754 | Individual Protein | Adenosine deaminase | Bos taurus | Km | = | 120000.0 | nM | PMID[480458] |
NPT165 | Cell Line | HeLa | Homo sapiens | MCC | >= | 200.0 | ug.mL-1 | PMID[480459] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MCC | >= | 200.0 | ug.mL-1 | PMID[480459] |
NPT1374 | Cell Line | WI-38 | Homo sapiens | MCC | >= | 100.0 | ug.mL-1 | PMID[480459] |
NPT165 | Cell Line | HeLa | Homo sapiens | MCC | = | 150.0 | ug.mL-1 | PMID[480459] |
NPT165 | Cell Line | HeLa | Homo sapiens | MCC | > | 100.0 | ug.mL-1 | PMID[480459] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MCC | > | 100.0 | ug.mL-1 | PMID[480459] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MCC | = | 150.0 | ug.mL-1 | PMID[480459] |
NPT1374 | Cell Line | WI-38 | Homo sapiens | MCC | > | 100.0 | ug.mL-1 | PMID[480459] |
NPT1171 | Cell Line | HEp-2 | Homo sapiens | Virus rating | = | 2.2 | VR | PMID[480460] |
NPT1171 | Cell Line | HEp-2 | Homo sapiens | MIC | = | 10.0 | ug.mL-1 | PMID[480460] |
NPT1171 | Cell Line | HEp-2 | Homo sapiens | MTC | = | 100.0 | ug ml-1 | PMID[480463] |
NPT137 | Cell Line | L1210 | Mus musculus | ID50 | = | 21.0 | ug ml-1 | PMID[480464] |
NPT1759 | Cell Line | FM3A | Mus musculus | ID50 | = | 21.1 | ug ml-1 | PMID[480464] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MCC | >= | 400.0 | ug.mL-1 | PMID[480464] |
NPT165 | Cell Line | HeLa | Homo sapiens | MCC | > | 200.0 | ug.mL-1 | PMID[480464] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MIC | = | 70.0 | ug.mL-1 | PMID[480464] |
NPT165 | Cell Line | HeLa | Homo sapiens | MIC | = | 20.0 | ug.mL-1 | PMID[480464] |
NPT165 | Cell Line | HeLa | Homo sapiens | ID50 | = | 46.0 | uM | PMID[480465] |
NPT165 | Cell Line | HeLa | Homo sapiens | ID50 | = | 27.7 | uM | PMID[480465] |
NPT91 | Cell Line | KB | Homo sapiens | ID50 | = | 89.8 | uM | PMID[480465] |
NPT91 | Cell Line | KB | Homo sapiens | ID50 | = | 25.4 | uM | PMID[480465] |
NPT168 | Cell Line | P388 | Mus musculus | ID50 | = | 12.7 | uM | PMID[480465] |
NPT168 | Cell Line | P388 | Mus musculus | ID50 | = | 10.8 | uM | PMID[480465] |
NPT137 | Cell Line | L1210 | Mus musculus | ID50 | = | 23.6 | uM | PMID[480465] |
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Displacement | = | 20.0 | % | PMID[480466] |
NPT1316 | Individual Protein | Adenosine A2a receptor | Rattus norvegicus | Displacement | = | 26.0 | % | PMID[480466] |
NPT1760 | Individual Protein | Adenosine A3 receptor | Rattus norvegicus | Displacement | = | 24.0 | % | PMID[480466] |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 20.9 | ug.mL-1 | PMID[480467] |
NPT116 | Cell Line | HL-60 | Homo sapiens | NBT positive cells | = | 12.0 | % | PMID[480467] |
NPT116 | Cell Line | HL-60 | Homo sapiens | NBT positive cells | = | 9.0 | % | PMID[480467] |
NPT1761 | Cell Line | Erythroleukemia cell line | ID50 | = | 0.094 | mM | PMID[480468] | |
NPT1761 | Cell Line | Erythroleukemia cell line | Optimal concentration | = | 0.08 | mM | PMID[480468] | |
NPT1761 | Cell Line | Erythroleukemia cell line | Differentiation | = | 4.0 | % | PMID[480468] | |
NPT1761 | Cell Line | Erythroleukemia cell line | ID50 | = | 0.003 | mM | PMID[480468] | |
NPT1761 | Cell Line | Erythroleukemia cell line | Optimal concentration | = | 0.002 | mM | PMID[480468] | |
NPT1761 | Cell Line | Erythroleukemia cell line | Differentiation | = | 22.0 | % | PMID[480468] | |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | CC50 | = | 38000.0 | nM | PMID[480470] |
NPT859 | Cell Line | HFF | Homo sapiens | CC50 | > | 100000.0 | nM | PMID[480473] |
NPT859 | Cell Line | HFF | Homo sapiens | CC50 | = | 90000.0 | nM | PMID[480473] |
NPT492 | Cell Line | Caco-2 | Homo sapiens | permeability | = | 0.083 | 10'6cm/s | PMID[480473] |
NPT1592 | Individual Protein | Dipeptidyl peptidase IV | Homo sapiens | IC50 | = | 62.0 | nM | PMID[480474] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 7307.8 | nM | PMID[480481] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 1995.3 | nM | PMID[480481] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 366.3 | nM | PMID[480481] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 461.1 | nM | PMID[480481] |
NPT168 | Cell Line | P388 | Mus musculus | LD50 | = | 1.0 | 10'-5M | PMID[480487] |
NPT91 | Cell Line | KB | Homo sapiens | MCC | = | 3.2 | ug.mL-1 | PMID[480494] |
NPT32 | Organism | Mus musculus | Mus musculus | Virus rating | = | 3.2 | n.a. | PMID[480431] |
NPT32 | Organism | Mus musculus | Mus musculus | MIC | = | 2.1 | ug.mL-1 | PMID[480431] |
NPT32 | Organism | Mus musculus | Mus musculus | Virus rating | = | 1.2 | n.a. | PMID[480431] |
NPT32 | Organism | Mus musculus | Mus musculus | MIC | = | 19.2 | ug.mL-1 | PMID[480431] |
NPT1386 | Protein Family | Adrenergic receptor beta | Homo sapiens | Activity | = | -2.58 | n.a. | PMID[480432] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | IC50 | = | 39.0 | ug.mL-1 | PMID[480433] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | IC50 | = | 5.6 | ug.mL-1 | PMID[480433] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Therapeutic index | = | 7.0 | n.a. | PMID[480433] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ED50 | = | 10.0 | ug ml-1 | PMID[480435] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | ED50 | = | 16.0 | ug ml-1 | PMID[480435] |
NPT1748 | Organism | African swine fever virus | African swine fever virus | ED50 | = | 40.0 | ug ml-1 | PMID[480435] |
NPT195 | Organism | Vesicular stomatitis virus | Vesicular stomatitis virus | ED50 | > | 10.0 | ug ml-1 | PMID[480435] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ED50 | = | 17.1 | ug ml-1 | PMID[480436] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | ED50 | = | 6.6 | ug ml-1 | PMID[480436] |
NPT1749 | Organism | Human herpesvirus 3 | Human herpesvirus 3 | ED50 | = | 1.17 | ug ml-1 | PMID[480436] |
NPT1750 | Organism | Human herpesvirus 5 | Human herpesvirus 5 | ED50 | = | 6.45 | ug ml-1 | PMID[480436] |
NPT2 | Others | Unspecified | IC50 | = | 11900.0 | nM | PMID[480437] | |
NPT2 | Others | Unspecified | IC50 | = | 24800.0 | nM | PMID[480437] | |
NPT1753 | Organism | Moloney murine leukemia virus | Moloney murine leukemia virus | IC50 | = | 1.0 | ug.mL-1 | PMID[480438] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MDD | = | 11.1 | n.a. | PMID[480440] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MDD | = | 9.3 | n.a. | PMID[480440] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MDD | = | 7.9 | n.a. | PMID[480440] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | Survivors / treated | = | 3.0 | n.a. | PMID[480440] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | Survivors / treated | = | 0.0 | n.a. | PMID[480440] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | ED50 | > | 125.0 | mg kg-1 day-1 | PMID[480440] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MDD | = | 13.5 | n.a. | PMID[480440] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MDD | = | 6.9 | n.a. | PMID[480440] |
NPT32 | Organism | Mus musculus | Mus musculus | Survival | = | 10.0 | % | PMID[480441] |
NPT32 | Organism | Mus musculus | Mus musculus | Survival | = | 60.0 | % | PMID[480441] |
NPT32 | Organism | Mus musculus | Mus musculus | Average survival | > | 9.0 | day | PMID[480441] |
NPT32 | Organism | Mus musculus | Mus musculus | Average survival | > | 13.0 | day | PMID[480441] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Virus rating | = | 3.1 | n.a. | PMID[480442] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 9.8 | ug.mL-1 | PMID[480442] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | Virus rating | = | 2.3 | n.a. | PMID[480442] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MIC50 | = | 30.0 | ug.mL-1 | PMID[480442] |
NPT605 | Organism | Homo sapiens | Homo sapiens | Reduction | = | 100.0 | % | PMID[480442] |
NPT605 | Organism | Homo sapiens | Homo sapiens | Reduction | = | 97.0 | % | PMID[480442] |
NPT605 | Organism | Homo sapiens | Homo sapiens | Reduction | = | 44.0 | % | PMID[480442] |
NPT605 | Organism | Homo sapiens | Homo sapiens | Reduction | = | 18.0 | % | PMID[480442] |
NPT605 | Organism | Homo sapiens | Homo sapiens | Cytotoxicity | = | 0.0 | n.a. | PMID[480442] |
NPT32 | Organism | Mus musculus | Mus musculus | Kel | = | 16.87 | hr-1 | PMID[480445] |
NPT32 | Organism | Mus musculus | Mus musculus | T1/2 | = | 0.04 | hr | PMID[480445] |
NPT32 | Organism | Mus musculus | Mus musculus | Kel | = | 0.31 | hr-1 | PMID[480445] |
NPT32 | Organism | Mus musculus | Mus musculus | T1/2 | = | 2.24 | hr | PMID[480445] |
NPT27 | Others | Unspecified | AUC | = | 3950.0 | ng.hr.mL-1 | PMID[480445] | |
NPT27 | Others | Unspecified | T1/2 | = | 0.07 | hr | PMID[480445] | |
NPT27 | Others | Unspecified | AUC | = | 6840.0 | ng.hr.mL-1 | PMID[480445] | |
NPT27 | Others | Unspecified | T1/2 | = | 0.89 | hr | PMID[480445] | |
NPT27 | Others | Unspecified | AUC | = | 350.0 | ng.hr.mL-1 | PMID[480445] | |
NPT27 | Others | Unspecified | T1/2 | = | 1.47 | hr | PMID[480445] | |
NPT27 | Others | Unspecified | Activity | = | 0.05 | n.a. | PMID[480445] | |
NPT27 | Others | Unspecified | AUC | = | 1150.0 | ng.hr.mL-1 | PMID[480445] | |
NPT27 | Others | Unspecified | T1/2 | = | 0.45 | hr | PMID[480445] | |
NPT27 | Others | Unspecified | AUC | = | 1550.0 | ng.hr.mL-1 | PMID[480445] | |
NPT27 | Others | Unspecified | T1/2 | = | 5.03 | hr | PMID[480445] | |
NPT27 | Others | Unspecified | Activity | = | 1.35 | n.a. | PMID[480445] | |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Virus rating | = | 2.5 | n.a. | PMID[480446] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 6.4 | ug.mL-1 | PMID[480446] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | Virus rating | = | 1.6 | n.a. | PMID[480446] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MIC50 | = | 6.4 | ug.mL-1 | PMID[480446] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | Virus rating | = | 1.2 | n.a. | PMID[480447] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 9.8 | ug.mL-1 | PMID[480448] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Virus rating | = | 2.7 | n.a. | PMID[480448] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MIC50 | = | 20.1 | ug.mL-1 | PMID[480448] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | Virus rating | = | 2.3 | n.a. | PMID[480448] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Virus rating | = | 1.8 | n.a. | PMID[480451] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ID50 | = | 13.6 | ug ml-1 | PMID[480451] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Virus rating | = | 3.3 | n.a. | PMID[480451] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ID50 | = | 2.1 | ug ml-1 | PMID[480451] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Virus rating | = | 2.9 | n.a. | PMID[480451] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ID50 | = | 1.9 | ug ml-1 | PMID[480451] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | Virus rating | = | 1.3 | n.a. | PMID[480451] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | ID50 | = | 49.9 | ug ml-1 | PMID[480451] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | Virus rating | = | 3.1 | n.a. | PMID[480451] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | ID50 | = | 9.8 | ug ml-1 | PMID[480451] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | VR | = | 2.0 | n.a. | PMID[480452] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | VR | = | 2.1 | n.a. | PMID[480452] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | VR | = | 2.4 | n.a. | PMID[480452] |
NPT1757 | Organism | unidentified influenza virus | unidentified influenza virus | VR | = | 0.9 | n.a. | PMID[480452] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 15.0 | ug.mL-1 | PMID[480452] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 18.0 | ug.mL-1 | PMID[480452] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 34.0 | ug.mL-1 | PMID[480452] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 6.0 | ug.mL-1 | PMID[480452] |
NPT1757 | Organism | unidentified influenza virus | unidentified influenza virus | MIC50 | = | 56.0 | ug.mL-1 | PMID[480452] |
NPT2 | Others | Unspecified | Ratio | = | 0.63 | n.a. | PMID[480452] | |
NPT2 | Others | Unspecified | Ratio | = | 1.3 | n.a. | PMID[480452] | |
NPT2 | Others | Unspecified | Ratio | = | 1.5 | n.a. | PMID[480452] | |
NPT2 | Others | Unspecified | Ratio | = | 0.95 | n.a. | PMID[480452] | |
NPT2 | Others | Unspecified | Ratio | = | 1.44 | n.a. | PMID[480452] | |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ID50 | = | 11.0 | uM | PMID[480453] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | ID50 | = | 75.0 | uM | PMID[480453] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC50 | = | 9.5 | ug.mL-1 | PMID[480456] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | VR | = | 2.0 | n.a. | PMID[480456] |
NPT32 | Organism | Mus musculus | Mus musculus | MST | = | 23.5 | day | PMID[480457] |
NPT875 | Organism | Bos taurus | Bos taurus | Vmax | = | 94.0 | uM min-1 mg-1 | PMID[480458] |
NPT27 | Others | Unspecified | MCC | >= | 200.0 | ug.mL-1 | PMID[480459] | |
NPT27 | Others | Unspecified | MCC | = | 20.0 | ug.mL-1 | PMID[480459] | |
NPT27 | Others | Unspecified | MCC | = | 10.0 | ug.mL-1 | PMID[480459] | |
NPT27 | Others | Unspecified | MCC | = | 2.0 | ug.mL-1 | PMID[480459] | |
NPT27 | Others | Unspecified | MCC | = | 70.0 | ug.mL-1 | PMID[480459] | |
NPT27 | Others | Unspecified | ID50 | = | 27.0 | ug ml-1 | PMID[480459] | |
NPT27 | Others | Unspecified | ID50 | = | 31.0 | ug ml-1 | PMID[480459] | |
NPT27 | Others | Unspecified | ID50 | = | 15.0 | ug ml-1 | PMID[480459] | |
NPT27 | Others | Unspecified | ID50 | > | 200.0 | ug ml-1 | PMID[480459] | |
NPT32 | Organism | Mus musculus | Mus musculus | No. of dead mice | = | 0.0 | n.a. | PMID[480459] |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | > | 750.0 | mg.kg-1 | PMID[480459] |
NPT32 | Organism | Mus musculus | Mus musculus | Efficacy | = | 0.0 | mg kg-1 | PMID[480459] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | VR | = | 2.0 | n.a. | PMID[480461] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | VR | = | 1.4 | n.a. | PMID[480461] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | VR | = | 3.7 | n.a. | PMID[480462] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | ID50 | = | 2.0 | ug ml-1 | PMID[480462] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Selectivity index | = | 16.3 | n.a. | PMID[480462] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | VR | = | 4.2 | n.a. | PMID[480462] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | ID50 | = | 1.0 | ug ml-1 | PMID[480462] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Selectivity index | = | 32.2 | n.a. | PMID[480462] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | VR | = | 3.6 | n.a. | PMID[480462] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | ID50 | = | 1.8 | ug ml-1 | PMID[480462] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Selectivity index | = | 17.9 | n.a. | PMID[480462] |
NPT32 | Organism | Mus musculus | Mus musculus | Protection | = | 56.0 | % | PMID[480462] |
NPT32 | Organism | Mus musculus | Mus musculus | Protection | = | 88.0 | % | PMID[480462] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC | = | 10.0 | ug.mL-1 | PMID[480463] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MIC | = | 10.0 | ug.mL-1 | PMID[480463] |
NPT605 | Organism | Homo sapiens | Homo sapiens | ID50 | = | 25.9 | ug ml-1 | PMID[480464] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | ID50 | = | 16.7 | ug ml-1 | PMID[480464] |
NPT419 | Organism | Oryctolagus cuniculus | Oryctolagus cuniculus | MIC | = | 20.0 | ug.mL-1 | PMID[480464] |
NPT419 | Organism | Oryctolagus cuniculus | Oryctolagus cuniculus | MIC | = | 7.0 | ug.mL-1 | PMID[480464] |
NPT419 | Organism | Oryctolagus cuniculus | Oryctolagus cuniculus | MIC | = | 10.0 | ug.mL-1 | PMID[480464] |
NPT419 | Organism | Oryctolagus cuniculus | Oryctolagus cuniculus | MIC | = | 2.0 | ug.mL-1 | PMID[480464] |
NPT605 | Organism | Homo sapiens | Homo sapiens | MCC | > | 400.0 | ug.mL-1 | PMID[480464] |
NPT605 | Organism | Homo sapiens | Homo sapiens | MIC | = | 7.0 | ug.mL-1 | PMID[480464] |
NPT419 | Organism | Oryctolagus cuniculus | Oryctolagus cuniculus | MCC | > | 100.0 | ug.mL-1 | PMID[480464] |
NPT32 | Organism | Mus musculus | Mus musculus | MST | = | 23.5 | day | PMID[480469] |
NPT1762 | Organism | Macacine herpesvirus 1 | Macacine herpesvirus 1 | EC50 | = | 28000.0 | nM | PMID[480470] |
NPT1762 | Organism | Macacine herpesvirus 1 | Macacine herpesvirus 1 | EC50 | = | 35000.0 | nM | PMID[480470] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | EC50 | = | 7000.0 | nM | PMID[480470] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | EC50 | = | 6200.0 | nM | PMID[480473] |
NPT1764 | Organism | Cowpox virus | Cowpox virus | EC50 | = | 12600.0 | nM | PMID[480473] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | EC50 | = | 1000.0 | nM | PMID[480473] |
NPT1764 | Organism | Cowpox virus | Cowpox virus | EC50 | = | 1400.0 | nM | PMID[480473] |
NPT35 | Others | n.a. | Solubility | = | 470.0 | ug.mL-1 | PMID[480473] | |
NPT1765 | Tissue | Intestine | Rattus norvegicus | T1/2 | = | 0.05 | hr | PMID[480473] |
NPT1593 | Tissue | Liver | Rattus norvegicus | T1/2 | = | 0.25 | hr | PMID[480473] |
NPT614 | Tissue | Plasma | Rattus norvegicus | T1/2 | = | 0.43 | hr | PMID[480473] |
NPT1766 | Organism | Human herpesvirus 1 strain KOS | Human herpesvirus 1 strain KOS | EC50 | = | 35000.0 | nM | PMID[480474] |
NPT1766 | Organism | Human herpesvirus 1 strain KOS | Human herpesvirus 1 strain KOS | EC50 | = | 42000.0 | nM | PMID[480474] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | EC50 | = | 8300.0 | nM | PMID[480474] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | EC50 | = | 10000.0 | nM | PMID[480474] |
NPT27 | Others | Unspecified | Inhibition | = | 50.0 | % | PMID[480474] | |
NPT1762 | Organism | Macacine herpesvirus 1 | Macacine herpesvirus 1 | EC50 | = | 26500.0 | nM | PMID[480475] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | EC50 | = | 26500.0 | nM | PMID[480475] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | EC50 | = | 26500.0 | nM | PMID[480475] |
NPT1762 | Organism | Macacine herpesvirus 1 | Macacine herpesvirus 1 | EC50 | = | 37800.0 | nM | PMID[480475] |
NPT1762 | Organism | Macacine herpesvirus 1 | Macacine herpesvirus 1 | EC50 | = | 46100.0 | nM | PMID[480475] |
NPT20904 | CELL-LINE | Hep 3B2 | Homo sapiens | Inhibition | = | 40.0 | % | PMID[480476] |
NPT1768 | Organism | Vaccinia virus Copenhagen | Vaccinia virus Copenhagen | IC50 | = | 2000.0 | nM | PMID[480480] |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | n.a. | 89125.1 | nM | PMID[480481] |
NPT2 | Others | Unspecified | Potency | n.a. | 12589.3 | nM | PMID[480481] | |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | DILI positive/negative | = | 0.0 | n.a. | PMID[480482] |
NPT1019 | Organism | Trichomonas vaginalis | Trichomonas vaginalis | IC50 | = | 3600.0 | nM | PMID[480483] |
NPT1019 | Organism | Trichomonas vaginalis | Trichomonas vaginalis | GI | = | 100.0 | % | PMID[480483] |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 103.09 | % | PMID[480484] |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 90.86 | % | PMID[480484] |
NPT471 | Organism | Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | > | 100000.0 | nM | PMID[480485] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (moderate) | = | 5.0 | n.a. | PMID[480486] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (moderate) | = | 17.0 | % | PMID[480486] |
NPT2 | Others | Unspecified | Hepatotoxicity (acute) | = | 0.0 | n.a. | PMID[480486] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (acute) | = | 0.0 | % | PMID[480486] |
NPT2 | Others | Unspecified | Hepatotoxicity (cytolytic) | = | 0.0 | n.a. | PMID[480486] | |
NPT2 | Others | Unspecified | Hepatotoxicity (choleostasis) | = | 0.0 | n.a. | PMID[480486] | |
NPT2 | Others | Unspecified | Hepatotoxicity (severe hepatitis) | = | 1.0 | n.a. | PMID[480486] | |
NPT2 | Others | Unspecified | Hepatotoxicity (chronic liver disease) | = | 0.0 | n.a. | PMID[480486] | |
NPT2 | Others | Unspecified | Hepatotoxicity (cirrhosis) | = | 0.0 | n.a. | PMID[480486] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (granulomatous hepatitis) | = | 0.0 | n.a. | PMID[480486] |
NPT2 | Others | Unspecified | Hepatotoxicity (association with vascular disease) | = | 0.0 | n.a. | PMID[480486] | |
NPT2 | Others | Unspecified | Hepatotoxicity (steatosis) | = | 0.0 | n.a. | PMID[480486] | |
NPT2 | Others | Unspecified | Hepatotoxicity (malignant tumour) | = | 0.0 | n.a. | PMID[480486] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (benign tumour) | = | 0.0 | n.a. | PMID[480486] |
NPT2 | Others | Unspecified | Potency | n.a. | 28183.8 | nM | PMID[480481] | |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC | = | 12.0 | ug.mL-1 | PMID[480488] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MIC | = | 12.0 | ug.mL-1 | PMID[480488] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | ID50 | = | 2.6 | 10'-5M | PMID[480489] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ID50 | = | 3.7 | 10'-5M | PMID[480489] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | ID50 | = | 1.4 | 10'-6M | PMID[480489] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | ID50 | = | 1.5 | 10'-5M | PMID[480489] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | MIC | = | 1400.0 | nM | PMID[480490] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | MIC | = | 26000.0 | nM | PMID[480490] |
NPT1766 | Organism | Human herpesvirus 1 strain KOS | Human herpesvirus 1 strain KOS | MIC | = | 14000.0 | nM | PMID[480490] |
NPT1766 | Organism | Human herpesvirus 1 strain KOS | Human herpesvirus 1 strain KOS | MIC | = | 3500.0 | nM | PMID[480490] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 71.0 | % | PMID[480491] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 94.0 | % | PMID[480491] |
NPT195 | Organism | Vesicular stomatitis virus | Vesicular stomatitis virus | MID | = | 20.0 | ug ml-1 | PMID[480492] |
NPT334 | Organism | Vaccinia virus | Vaccinia virus | MID | = | 0.3 | ug ml-1 | PMID[480492] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Activity | = | 100.0 | % | PMID[480493] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Activity | = | 54.0 | % | PMID[480493] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Activity | = | 0.0 | % | PMID[480493] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Activity | = | 63.0 | % | PMID[480493] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Activity | = | 69.0 | % | PMID[480493] |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | Activity | = | 64.0 | % | PMID[480493] |
NPT35 | Others | n.a. | LogP | = | 0.47 | n.a. | PMID[480493] | |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC | = | 3.2 | ug.mL-1 | PMID[480494] |
NPT27 | Others | Unspecified | TI | >= | 4.0 | n.a. | PMID[480494] | |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | MIC | = | 12.0 | ug.mL-1 | PMID[480495] |
NPT1141 | Organism | Human herpesvirus 2 | Human herpesvirus 2 | MIC | = | 12.0 | ug.mL-1 | PMID[480495] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition index | = | -0.01238 | n.a. | PMID[480496] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -15.34 | % | PMID[480497] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Hit score | = | -0.02251 | n.a. | PMID[480498] |
NPT20556 | SINGLE PROTEIN | Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | 8.763 | % | PMID[480499] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | 0.01 | % | PMID[480500] |
NPT20 | Organism | Candida albicans | Candida albicans | Inhibition | = | 4.29 | % | PMID[480501] |
NPT85 | Organism | Filobasidiella neoformans | Cryptococcus neoformans | Inhibition | = | 1.72 | % | PMID[480501] |
NPT19 | Organism | Escherichia coli | Escherichia coli | Inhibition | = | 6.8 | % | PMID[480501] |
NPT173 | Organism | Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | = | 13.1 | % | PMID[480501] |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | = | 12.75 | % | PMID[480501] |
NPT747 | Organism | Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | = | 33.05 | % | PMID[480501] |
NPT2922 | Organism | Staphylococcus aureus subsp. aureus | Staphylococcus aureus subsp. aureus | Inhibition | = | 17.44 | % | PMID[480501] |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
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 NPC21448 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 | NPC107374 |
1.0 | High Similarity | NPC156461 |
0.9925 | High Similarity | NPC189068 |
0.9925 | High Similarity | NPC164665 |
0.9851 | High Similarity | NPC219313 |
0.9851 | High Similarity | NPC269827 |
0.9851 | High Similarity | NPC309832 |
0.9848 | High Similarity | NPC229974 |
0.9697 | High Similarity | NPC209525 |
0.9697 | High Similarity | NPC161659 |
0.9565 | High Similarity | NPC211025 |
0.9565 | High Similarity | NPC185991 |
0.9565 | High Similarity | NPC85689 |
0.9552 | High Similarity | NPC314152 |
0.9549 | High Similarity | NPC317821 |
0.9496 | High Similarity | NPC321814 |
0.9496 | High Similarity | NPC472816 |
0.9429 | High Similarity | NPC212551 |
0.9429 | High Similarity | NPC130586 |
0.9429 | High Similarity | NPC302778 |
0.9429 | High Similarity | NPC164952 |
0.9362 | High Similarity | NPC174802 |
0.9348 | High Similarity | NPC121222 |
0.9296 | High Similarity | NPC224076 |
0.9231 | High Similarity | NPC226245 |
0.9231 | High Similarity | NPC316618 |
0.9231 | High Similarity | NPC239737 |
0.922 | High Similarity | NPC207633 |
0.9185 | High Similarity | NPC129756 |
0.9149 | High Similarity | NPC161224 |
0.9078 | High Similarity | NPC150853 |
0.9007 | High Similarity | NPC136349 |
0.8966 | High Similarity | NPC311197 |
0.8966 | High Similarity | NPC54320 |
0.8966 | High Similarity | NPC313754 |
0.8919 | High Similarity | NPC323091 |
0.8897 | High Similarity | NPC52238 |
0.8832 | High Similarity | NPC33996 |
0.8824 | High Similarity | NPC320818 |
0.8819 | High Similarity | NPC328479 |
0.8553 | High Similarity | NPC261595 |
0.8523 | High Similarity | NPC195140 |
0.8497 | Intermediate Similarity | NPC324033 |
0.8497 | Intermediate Similarity | NPC321458 |
0.8462 | Intermediate Similarity | NPC326529 |
0.8456 | Intermediate Similarity | NPC93365 |
0.8408 | Intermediate Similarity | NPC319100 |
0.8408 | Intermediate Similarity | NPC189261 |
0.8408 | Intermediate Similarity | NPC324198 |
0.8366 | Intermediate Similarity | NPC324484 |
0.8323 | Intermediate Similarity | NPC326082 |
0.8323 | Intermediate Similarity | NPC290959 |
0.8312 | Intermediate Similarity | NPC325906 |
0.8286 | Intermediate Similarity | NPC61198 |
0.8214 | Intermediate Similarity | NPC262926 |
0.8067 | Intermediate Similarity | NPC321052 |
0.8042 | Intermediate Similarity | NPC30326 |
0.8014 | Intermediate Similarity | NPC319221 |
0.8 | Intermediate Similarity | NPC313897 |
0.7959 | Intermediate Similarity | NPC274384 |
0.7959 | Intermediate Similarity | NPC89147 |
0.7943 | Intermediate Similarity | NPC324009 |
0.7891 | Intermediate Similarity | NPC251233 |
0.7891 | Intermediate Similarity | NPC211820 |
0.7877 | Intermediate Similarity | NPC186619 |
0.7838 | Intermediate Similarity | NPC177169 |
0.7785 | Intermediate Similarity | NPC64705 |
0.7785 | Intermediate Similarity | NPC232408 |
0.7771 | Intermediate Similarity | NPC24589 |
0.777 | Intermediate Similarity | NPC318590 |
0.7738 | Intermediate Similarity | NPC78941 |
0.7738 | Intermediate Similarity | NPC282458 |
0.7718 | Intermediate Similarity | NPC317746 |
0.7703 | Intermediate Similarity | NPC74306 |
0.7703 | Intermediate Similarity | NPC315642 |
0.7697 | Intermediate Similarity | NPC326694 |
0.7529 | Intermediate Similarity | NPC313514 |
0.7516 | Intermediate Similarity | NPC33382 |
0.7469 | Intermediate Similarity | NPC125659 |
0.7469 | Intermediate Similarity | NPC168702 |
0.7378 | Intermediate Similarity | NPC222174 |
0.7329 | Intermediate Similarity | NPC14590 |
0.7267 | Intermediate Similarity | NPC321393 |
0.7222 | Intermediate Similarity | NPC276373 |
0.7214 | Intermediate Similarity | NPC327579 |
0.7182 | Intermediate Similarity | NPC5802 |
0.7143 | Intermediate Similarity | NPC157821 |
0.7015 | Intermediate Similarity | NPC476564 |
0.698 | Remote Similarity | NPC57279 |
0.6959 | Remote Similarity | NPC104011 |
0.6959 | Remote Similarity | NPC246193 |
0.6917 | Remote Similarity | NPC87981 |
0.6917 | Remote Similarity | NPC174114 |
0.6849 | Remote Similarity | NPC248007 |
0.6804 | Remote Similarity | NPC250178 |
0.6763 | Remote Similarity | NPC312187 |
0.6763 | Remote Similarity | NPC4837 |
0.6644 | Remote Similarity | NPC139776 |
0.6623 | Remote Similarity | NPC287876 |
0.6596 | Remote Similarity | NPC103388 |
0.6567 | Remote Similarity | NPC107160 |
0.6556 | Remote Similarity | NPC14330 |
0.6522 | Remote Similarity | NPC18335 |
0.6471 | Remote Similarity | NPC21461 |
0.6471 | Remote Similarity | NPC160666 |
0.6446 | Remote Similarity | NPC472834 |
0.6377 | Remote Similarity | NPC158055 |
0.6333 | Remote Similarity | NPC109322 |
0.6259 | Remote Similarity | NPC68938 |
0.6164 | Remote Similarity | NPC313547 |
0.6159 | Remote Similarity | NPC5707 |
0.6145 | Remote Similarity | NPC164845 |
0.6135 | Remote Similarity | NPC217656 |
0.6098 | Remote Similarity | NPC89139 |
0.6087 | Remote Similarity | NPC296437 |
0.6078 | Remote Similarity | NPC180493 |
0.6049 | Remote Similarity | NPC470266 |
0.604 | Remote Similarity | NPC189314 |
0.6028 | Remote Similarity | NPC476561 |
0.5988 | Remote Similarity | NPC244700 |
0.5976 | Remote Similarity | NPC476528 |
0.5976 | Remote Similarity | NPC476433 |
0.5939 | Remote Similarity | NPC476520 |
0.5939 | Remote Similarity | NPC476522 |
0.5939 | Remote Similarity | NPC474986 |
0.5939 | Remote Similarity | NPC476013 |
0.593 | Remote Similarity | NPC472833 |
0.5928 | Remote Similarity | NPC476408 |
0.5914 | Remote Similarity | NPC265111 |
0.5904 | Remote Similarity | NPC476521 |
0.5903 | Remote Similarity | NPC119133 |
0.587 | Remote Similarity | NPC473585 |
0.5833 | Remote Similarity | NPC476099 |
0.5829 | Remote Similarity | NPC18308 |
0.5829 | Remote Similarity | NPC472832 |
0.5796 | Remote Similarity | NPC180462 |
0.5775 | Remote Similarity | NPC293163 |
0.5764 | Remote Similarity | NPC59314 |
0.5724 | Remote Similarity | NPC476562 |
0.5697 | Remote Similarity | NPC210947 |
0.5695 | Remote Similarity | NPC63433 |
0.5667 | Remote Similarity | NPC41958 |
0.5667 | Remote Similarity | NPC256849 |
0.5655 | Remote Similarity | NPC10466 |
0.5638 | Remote Similarity | NPC47936 |
0.5621 | Remote Similarity | NPC174020 |
0.561 | Remote Similarity | NPC470140 |
0.5602 | Remote Similarity | NPC470139 |
0.56 | Remote Similarity | NPC60537 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC21448 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 | NPD249 | Approved |
1.0 | High Similarity | NPD250 | Approved |
0.9851 | High Similarity | NPD195 | Approved |
0.9851 | High Similarity | NPD186 | Discovery |
0.9565 | High Similarity | NPD283 | Approved |
0.9552 | High Similarity | NPD185 | Approved |
0.9429 | High Similarity | NPD338 | Approved |
0.9429 | High Similarity | NPD3107 | Discontinued |
0.9429 | High Similarity | NPD242 | Approved |
0.9429 | High Similarity | NPD1369 | Phase 2 |
0.9429 | High Similarity | NPD1750 | Clinical (unspecified phase) |
0.9412 | High Similarity | NPD166 | Approved |
0.9403 | High Similarity | NPD193 | Suspended |
0.9362 | High Similarity | NPD339 | Approved |
0.9296 | High Similarity | NPD169 | Phase 2 |
0.9231 | High Similarity | NPD1732 | Phase 3 |
0.9231 | High Similarity | NPD2646 | Discontinued |
0.9231 | High Similarity | NPD2624 | Phase 2 |
0.9007 | High Similarity | NPD548 | Clinical (unspecified phase) |
0.8966 | High Similarity | NPD219 | Phase 3 |
0.8966 | High Similarity | NPD216 | Approved |
0.8966 | High Similarity | NPD218 | Approved |
0.8966 | High Similarity | NPD220 | Clinical (unspecified phase) |
0.8966 | High Similarity | NPD217 | Approved |
0.8759 | High Similarity | NPD213 | Clinical (unspecified phase) |
0.8759 | High Similarity | NPD214 | Approved |
0.8742 | High Similarity | NPD2647 | Phase 3 |
0.8593 | High Similarity | NPD248 | Discontinued |
0.8553 | High Similarity | NPD247 | Clinical (unspecified phase) |
0.8462 | Intermediate Similarity | NPD5666 | Phase 2 |
0.8456 | Intermediate Similarity | NPD546 | Clinical (unspecified phase) |
0.8456 | Intermediate Similarity | NPD9632 | Phase 3 |
0.8431 | Intermediate Similarity | NPD7988 | Suspended |
0.8408 | Intermediate Similarity | NPD4171 | Clinical (unspecified phase) |
0.8354 | Intermediate Similarity | NPD1412 | Clinical (unspecified phase) |
0.8312 | Intermediate Similarity | NPD1776 | Approved |
0.8312 | Intermediate Similarity | NPD1777 | Approved |
0.8309 | Intermediate Similarity | NPD870 | Clinical (unspecified phase) |
0.8286 | Intermediate Similarity | NPD252 | Clinical (unspecified phase) |
0.825 | Intermediate Similarity | NPD4716 | Approved |
0.8235 | Intermediate Similarity | NPD3083 | Approved |
0.8199 | Intermediate Similarity | NPD4744 | Clinical (unspecified phase) |
0.8098 | Intermediate Similarity | NPD1692 | Approved |
0.8056 | Intermediate Similarity | NPD549 | Approved |
0.8052 | Intermediate Similarity | NPD516 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD5682 | Phase 3 |
0.8 | Intermediate Similarity | NPD5684 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD6417 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD5683 | Clinical (unspecified phase) |
0.7958 | Intermediate Similarity | NPD194 | Clinical (unspecified phase) |
0.7904 | Intermediate Similarity | NPD2631 | Clinical (unspecified phase) |
0.7904 | Intermediate Similarity | NPD2632 | Approved |
0.7904 | Intermediate Similarity | NPD2630 | Approved |
0.7857 | Intermediate Similarity | NPD9633 | Phase 3 |
0.7829 | Intermediate Similarity | NPD536 | Clinical (unspecified phase) |
0.777 | Intermediate Similarity | NPD9408 | Phase 3 |
0.7718 | Intermediate Similarity | NPD7158 | Phase 1 |
0.7703 | Intermediate Similarity | NPD582 | Approved |
0.7582 | Intermediate Similarity | NPD3708 | Phase 2 |
0.7529 | Intermediate Similarity | NPD7138 | Phase 2 |
0.7468 | Intermediate Similarity | NPD4074 | Clinical (unspecified phase) |
0.7468 | Intermediate Similarity | NPD3085 | Phase 1 |
0.7419 | Intermediate Similarity | NPD3086 | Phase 3 |
0.7372 | Intermediate Similarity | NPD231 | Clinical (unspecified phase) |
0.7293 | Intermediate Similarity | NPD2965 | Clinical (unspecified phase) |
0.7266 | Intermediate Similarity | NPD9606 | Approved |
0.7261 | Intermediate Similarity | NPD9605 | Phase 3 |
0.7253 | Intermediate Similarity | NPD2876 | Phase 3 |
0.7253 | Intermediate Similarity | NPD2877 | Clinical (unspecified phase) |
0.7241 | Intermediate Similarity | NPD4054 | Clinical (unspecified phase) |
0.7219 | Intermediate Similarity | NPD3696 | Approved |
0.7219 | Intermediate Similarity | NPD3695 | Approved |
0.7214 | Intermediate Similarity | NPD9607 | Approved |
0.7174 | Intermediate Similarity | NPD2824 | Phase 2 |
0.7118 | Intermediate Similarity | NPD1046 | Clinical (unspecified phase) |
0.7047 | Intermediate Similarity | NPD209 | Clinical (unspecified phase) |
0.7032 | Intermediate Similarity | NPD171 | Discontinued |
0.7021 | Intermediate Similarity | NPD2903 | Clinical (unspecified phase) |
0.7021 | Intermediate Similarity | NPD2902 | Phase 2 |
0.698 | Remote Similarity | NPD545 | Clinical (unspecified phase) |
0.6929 | Remote Similarity | NPD9374 | Approved |
0.6915 | Remote Similarity | NPD4495 | Phase 1 |
0.6906 | Remote Similarity | NPD9373 | Approved |
0.6879 | Remote Similarity | NPD1730 | Discontinued |
0.6875 | Remote Similarity | NPD1063 | Phase 2 |
0.6875 | Remote Similarity | NPD353 | Discontinued |
0.6867 | Remote Similarity | NPD527 | Clinical (unspecified phase) |
0.6867 | Remote Similarity | NPD547 | Clinical (unspecified phase) |
0.6859 | Remote Similarity | NPD4240 | Approved |
0.6853 | Remote Similarity | NPD307 | Approved |
0.6849 | Remote Similarity | NPD9084 | Phase 2 |
0.68 | Remote Similarity | NPD282 | Approved |
0.6776 | Remote Similarity | NPD1119 | Phase 2 |
0.6687 | Remote Similarity | NPD775 | Approved |
0.6624 | Remote Similarity | NPD1430 | Approved |
0.6624 | Remote Similarity | NPD1431 | Approved |
0.6624 | Remote Similarity | NPD2253 | Discontinued |
0.6623 | Remote Similarity | NPD8829 | Clinical (unspecified phase) |
0.6615 | Remote Similarity | NPD5080 | Phase 2 |
0.6611 | Remote Similarity | NPD2152 | Clinical (unspecified phase) |
0.6601 | Remote Similarity | NPD1058 | Discontinued |
0.6601 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.6573 | Remote Similarity | NPD9584 | Phase 2 |
0.6564 | Remote Similarity | NPD5079 | Phase 2 |
0.6522 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD8836 | Approved |
0.6519 | Remote Similarity | NPD207 | Discontinued |
0.649 | Remote Similarity | NPD1128 | Approved |
0.649 | Remote Similarity | NPD1127 | Approved |
0.6489 | Remote Similarity | NPD4458 | Phase 2 |
0.6489 | Remote Similarity | NPD4459 | Clinical (unspecified phase) |
0.6467 | Remote Similarity | NPD281 | Approved |
0.6463 | Remote Similarity | NPD9409 | Discontinued |
0.6433 | Remote Similarity | NPD799 | Phase 1 |
0.6433 | Remote Similarity | NPD1808 | Phase 1 |
0.6383 | Remote Similarity | NPD9417 | Phase 3 |
0.6383 | Remote Similarity | NPD9416 | Phase 3 |
0.6377 | Remote Similarity | NPD6840 | Approved |
0.6369 | Remote Similarity | NPD6112 | Approved |
0.6364 | Remote Similarity | NPD9375 | Discontinued |
0.6352 | Remote Similarity | NPD1118 | Discontinued |
0.6333 | Remote Similarity | NPD798 | Discontinued |
0.6306 | Remote Similarity | NPD1121 | Approved |
0.6306 | Remote Similarity | NPD535 | Approved |
0.6306 | Remote Similarity | NPD1120 | Approved |
0.6286 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.6242 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.6221 | Remote Similarity | NPD2593 | Clinical (unspecified phase) |
0.6209 | Remote Similarity | NPD515 | Phase 1 |
0.6198 | Remote Similarity | NPD5486 | Discontinued |
0.6197 | Remote Similarity | NPD1816 | Clinical (unspecified phase) |
0.6173 | Remote Similarity | NPD1117 | Clinical (unspecified phase) |
0.6159 | Remote Similarity | NPD8830 | Phase 3 |
0.6143 | Remote Similarity | NPD7502 | Clinical (unspecified phase) |
0.6122 | Remote Similarity | NPD9406 | Approved |
0.6105 | Remote Similarity | NPD691 | Discontinued |
0.6103 | Remote Similarity | NPD5458 | Discontinued |
0.6083 | Remote Similarity | NPD8250 | Phase 2 |
0.6078 | Remote Similarity | NPD78 | Approved |
0.6078 | Remote Similarity | NPD9544 | Approved |
0.6071 | Remote Similarity | NPD7842 | Phase 2 |
0.604 | Remote Similarity | NPD8831 | Approved |
0.604 | Remote Similarity | NPD8833 | Approved |
0.6014 | Remote Similarity | NPD757 | Phase 3 |
0.6 | Remote Similarity | NPD9360 | Approved |
0.599 | Remote Similarity | NPD796 | Phase 2 |
0.5933 | Remote Similarity | NPD1368 | Approved |
0.5903 | Remote Similarity | NPD9291 | Approved |
0.5902 | Remote Similarity | NPD534 | Phase 2 |
0.5902 | Remote Similarity | NPD537 | Phase 2 |
0.5897 | Remote Similarity | NPD1085 | Approved |
0.5897 | Remote Similarity | NPD1775 | Approved |
0.5896 | Remote Similarity | NPD5627 | Approved |
0.5894 | Remote Similarity | NPD237 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD2221 | Clinical (unspecified phase) |
0.5876 | Remote Similarity | NPD5665 | Clinical (unspecified phase) |
0.5852 | Remote Similarity | NPD5768 | Phase 2 |
0.5843 | Remote Similarity | NPD9704 | Approved |
0.5838 | Remote Similarity | NPD1017 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD3849 | Clinical (unspecified phase) |
0.5825 | Remote Similarity | NPD4555 | Clinical (unspecified phase) |
0.5798 | Remote Similarity | NPD3913 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD578 | Discontinued |
0.5769 | Remote Similarity | NPD6381 | Phase 2 |
0.5765 | Remote Similarity | NPD4599 | Clinical (unspecified phase) |
0.5764 | Remote Similarity | NPD8837 | Clinical (unspecified phase) |
0.5759 | Remote Similarity | NPD1356 | Approved |
0.5759 | Remote Similarity | NPD1354 | Approved |
0.5759 | Remote Similarity | NPD1355 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD580 | Discontinued |
0.5714 | Remote Similarity | NPD3697 | Discontinued |
0.5696 | Remote Similarity | NPD9366 | Approved |
0.5695 | Remote Similarity | NPD5171 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD9582 | Phase 3 |
0.569 | Remote Similarity | NPD6023 | Discontinued |
0.5683 | Remote Similarity | NPD4089 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD34 | Approved |
0.5678 | Remote Similarity | NPD4715 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD4713 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD4714 | Approved |
0.5676 | Remote Similarity | NPD613 | Phase 2 |
0.5671 | Remote Similarity | NPD9550 | Approved |
0.5671 | Remote Similarity | NPD9551 | Approved |
0.5669 | Remote Similarity | NPD579 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD9358 | Approved |
0.5667 | Remote Similarity | NPD9359 | Approved |
0.5646 | Remote Similarity | NPD245 | Suspended |
0.5632 | Remote Similarity | NPD2591 | Phase 2 |
0.5632 | Remote Similarity | NPD1731 | Clinical (unspecified phase) |
0.5632 | Remote Similarity | NPD5757 | Discontinued |
0.5625 | Remote Similarity | NPD5336 | Phase 1 |
0.5625 | Remote Similarity | NPD5337 | Phase 1 |
0.5622 | Remote Similarity | NPD7323 | Phase 2 |
0.5613 | Remote Similarity | NPD9290 | Approved |
0.5608 | Remote Similarity | NPD2457 | Phase 2 |
0.5608 | Remote Similarity | NPD2456 | Phase 2 |
0.56 | Remote Similarity | NPD2180 | Approved |
Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.