Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO16755 | Saposhnikovia divaricata | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO17333 | Valeriana officinalis | Species | Caprifoliaceae | Eukaryota | TCMID* | |||
NPO17333 | Valeriana officinalis | Species | Caprifoliaceae | Eukaryota | HerDing* | |||
NPO18101 | Cicuta virosa | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO11889 | Dendrobium chrysanthum | Species | Orchidaceae | Eukaryota | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
||
NPO16755 | Saposhnikovia divaricata | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO1771 | Rose rugosae flos | NA | NA | NA | TCMSP* | |||
NPO5446 | Campsis flos | Species | Bignoniaceae | Eukaryota | TCMSP* | |||
NPO29654 | Lonicerae japonicae flos | NA | NA | NA | TCMSP* | |||
NPO24731 | Sesami nigrum semen | NA | NA | NA | TCMSP* | |||
NPO17237 | Ephedra herba | Species | Ephedraceae | Eukaryota | TCMSP* | |||
NPO28985 | Radix bupleuri | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO25292 | Achyranthis bidentatae radix | NA | NA | NA | TCMSP* | |||
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | TM-MC* | |||
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | TM-MC* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10492 | Artemisia montana | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO25094 | Artemisia princeps | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO26378 | Bistorta manshuriensis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | TM-MC* | |||
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO20930 | Patrinia scabiosifolia | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO9090 | Patrinia villosa | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO23213 | Bistorta officinalis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO23768 | Camellia saluenensis | Species | Theaceae | Eukaryota | TCMID* | |||
NPO23332.1 | Dendrobium fimbriatum var. oculatum | Varieties | Orchidaceae | Eukaryota | TCMID* | |||
NPO1493 | Hericium erinaceus | Species | Hericiaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT93 | Individual Protein | Survival motor neuron protein | Homo sapiens | Potency | = | 5011.9 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 23109.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 29092.9 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 15.8 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 16511.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 3548.1 | nM | PubChem BioAssay data set | ||
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | EC50 | = | 2129 | ug/ml | 12926880 |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | EC50 | = | 23988329.19 | nM | 12926880 |
NPT2 | Others | Unspecified | Potency | 68450.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21829.6 | 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 NPC52403 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 |
---|---|---|
0.913 | High Similarity | NPC275462 |
0.9048 | High Similarity | NPC294703 |
0.875 | High Similarity | NPC560 |
0.8696 | High Similarity | NPC199270 |
0.8696 | High Similarity | NPC245688 |
0.84 | Intermediate Similarity | NPC276332 |
0.84 | Intermediate Similarity | NPC39869 |
0.8333 | Intermediate Similarity | NPC232554 |
0.8333 | Intermediate Similarity | NPC213764 |
0.8261 | Intermediate Similarity | NPC39977 |
0.8095 | Intermediate Similarity | NPC311000 |
0.8077 | Intermediate Similarity | NPC159845 |
0.8077 | Intermediate Similarity | NPC279895 |
0.8 | Intermediate Similarity | NPC252154 |
0.7917 | Intermediate Similarity | NPC23071 |
0.7917 | Intermediate Similarity | NPC256186 |
0.7826 | Intermediate Similarity | NPC219266 |
0.7826 | Intermediate Similarity | NPC299484 |
0.7826 | Intermediate Similarity | NPC110344 |
0.7826 | Intermediate Similarity | NPC88839 |
0.7778 | Intermediate Similarity | NPC110884 |
0.76 | Intermediate Similarity | NPC88887 |
0.75 | Intermediate Similarity | NPC147096 |
0.75 | Intermediate Similarity | NPC24506 |
0.75 | Intermediate Similarity | NPC112242 |
0.75 | Intermediate Similarity | NPC225783 |
0.75 | Intermediate Similarity | NPC185041 |
0.75 | Intermediate Similarity | NPC163556 |
0.75 | Intermediate Similarity | NPC236797 |
0.7407 | Intermediate Similarity | NPC325345 |
0.7241 | Intermediate Similarity | NPC126915 |
0.7241 | Intermediate Similarity | NPC122962 |
0.72 | Intermediate Similarity | NPC87529 |
0.72 | Intermediate Similarity | NPC94144 |
0.7 | Intermediate Similarity | NPC291158 |
0.7 | Intermediate Similarity | NPC185538 |
0.7 | Intermediate Similarity | NPC66124 |
0.7 | Intermediate Similarity | NPC272998 |
0.7 | Intermediate Similarity | NPC139131 |
0.7 | Intermediate Similarity | NPC72324 |
0.7 | Intermediate Similarity | NPC193062 |
0.7 | Intermediate Similarity | NPC1748 |
0.7 | Intermediate Similarity | NPC205141 |
0.7 | Intermediate Similarity | NPC319034 |
0.7 | Intermediate Similarity | NPC181516 |
0.6957 | Remote Similarity | NPC163707 |
0.6957 | Remote Similarity | NPC236761 |
0.6923 | Remote Similarity | NPC140389 |
0.6923 | Remote Similarity | NPC190797 |
0.6786 | Remote Similarity | NPC52362 |
0.6774 | Remote Similarity | NPC283682 |
0.6667 | Remote Similarity | NPC149070 |
0.6667 | Remote Similarity | NPC2724 |
0.6667 | Remote Similarity | NPC127074 |
0.6667 | Remote Similarity | NPC187058 |
0.6667 | Remote Similarity | NPC197207 |
0.6667 | Remote Similarity | NPC182541 |
0.6667 | Remote Similarity | NPC267243 |
0.6667 | Remote Similarity | NPC128335 |
0.6562 | Remote Similarity | NPC97967 |
0.6538 | Remote Similarity | NPC114270 |
0.6452 | Remote Similarity | NPC12231 |
0.6452 | Remote Similarity | NPC152759 |
0.6429 | Remote Similarity | NPC324353 |
0.6429 | Remote Similarity | NPC320326 |
0.6364 | Remote Similarity | NPC474914 |
0.6364 | Remote Similarity | NPC474392 |
0.6364 | Remote Similarity | NPC61665 |
0.6333 | Remote Similarity | NPC28077 |
0.6296 | Remote Similarity | NPC304786 |
0.625 | Remote Similarity | NPC227267 |
0.6207 | Remote Similarity | NPC301586 |
0.6207 | Remote Similarity | NPC223195 |
0.6207 | Remote Similarity | NPC238135 |
0.6207 | Remote Similarity | NPC33415 |
0.6207 | Remote Similarity | NPC261397 |
0.6176 | Remote Similarity | NPC177022 |
0.6176 | Remote Similarity | NPC74352 |
0.6071 | Remote Similarity | NPC474048 |
0.6061 | Remote Similarity | NPC325034 |
0.6061 | Remote Similarity | NPC192065 |
0.6061 | Remote Similarity | NPC317203 |
0.6061 | Remote Similarity | NPC293908 |
0.6061 | Remote Similarity | NPC86412 |
0.6061 | Remote Similarity | NPC66052 |
0.6 | Remote Similarity | NPC106054 |
0.6 | Remote Similarity | NPC174368 |
0.6 | Remote Similarity | NPC270334 |
0.6 | Remote Similarity | NPC40434 |
0.6 | Remote Similarity | NPC34873 |
0.6 | Remote Similarity | NPC61373 |
0.5926 | Remote Similarity | NPC318912 |
0.5926 | Remote Similarity | NPC237965 |
0.5926 | Remote Similarity | NPC157340 |
0.5882 | Remote Similarity | NPC79544 |
0.5862 | Remote Similarity | NPC272307 |
0.5862 | Remote Similarity | NPC248233 |
0.5833 | Remote Similarity | NPC152773 |
0.5833 | Remote Similarity | NPC221022 |
0.5833 | Remote Similarity | NPC34153 |
0.5806 | Remote Similarity | NPC198126 |
0.5769 | Remote Similarity | NPC83726 |
0.5676 | Remote Similarity | NPC320331 |
0.5667 | Remote Similarity | NPC159398 |
0.5625 | Remote Similarity | NPC95174 |
0.56 | Remote Similarity | NPC327092 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC52403 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 |
---|---|---|---|
0.8095 | Intermediate Similarity | NPD8223 | Approved |
0.7407 | Intermediate Similarity | NPD8988 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD5383 | Approved |
0.7 | Intermediate Similarity | NPD2272 | Approved |
0.6957 | Remote Similarity | NPD8224 | Approved |
0.6667 | Remote Similarity | NPD8814 | Phase 3 |
0.6538 | Remote Similarity | NPD8225 | Phase 3 |
0.6296 | Remote Similarity | NPD8797 | Approved |
0.6207 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD9051 | Approved |
0.6061 | Remote Similarity | NPD9052 | Approved |
0.6061 | Remote Similarity | NPD9053 | Approved |
0.5926 | Remote Similarity | NPD8226 | Approved |
0.5806 | Remote Similarity | NPD8618 | Approved |
0.5714 | Remote Similarity | NPD8231 | Approved |
0.5652 | Remote Similarity | NPD8547 | Phase 2 |
PubChem CID   | 6276 |
ChEMBL   | CHEMBL14568 |
ZINC   |
Molecular Weight:   | 88.09 |
ALogP:   | -1.2614 |
MLogP:   | 1.9 |
XLogP:   | 1.42 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 6 |