Natural Product: NPC127430
Natural Product ID:   | NPC127430 |
Common Name*:   | Sophocarpine |
IUPAC Name:   | n.a. |
Synonyms:   | Sophocarpine |
Standard InCHIKey:   | AAGFPTSOPGCENQ-JLNYLFASSA-N |
Standard InCHI:   | InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1 |
SMILES:   | O=C1C=CC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
CHEMBL377725 |
PubChem CID:   |
115269 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000279] Alkaloids and derivatives
-
[CHEMONTID:0002719] Lupin alkaloids
[CHEMONTID:0002720] Matrine alkaloids
|
*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.
  Species Source
Organism ID |
Organism Name |
Taxonomy Level |
Family |
SuperKingdom |
Isolation Part |
Collection Location |
Collection Time |
Reference |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10654410] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[10843587] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11054840] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
twigs |
n.a. |
n.a. |
PMID[1453182] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[15165152] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[15165152] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[15568770] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15911254] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16392664] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16933887] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
roots |
Hualien Hsien, Taiwan |
2003-JUL |
PMID[16933887] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[17951038] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18175961] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18348535] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[18975262] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19407970] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21553897] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24295087] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24333010] |
NPO7715 |
Sophora tonkinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24345512] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24459770] |
NPO7715 |
Sophora tonkinensis |
Species |
Fabaceae |
Eukaryota |
root |
n.a. |
n.a. |
PMID[24959987] |
NPO7715 |
Sophora tonkinensis |
Species |
Fabaceae |
Eukaryota |
Rhizomes |
Nanning, Guangxi Province, China |
2012-Dec |
PMID[26132528] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27575476] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[30298740] |
NPO7715 |
Sophora tonkinensis |
Species |
Fabaceae |
Eukaryota |
Roots; Rhizomes |
n.a. |
n.a. |
PMID[30698432] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[9868163] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
Database[Article] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20489 |
Epilobium hirsutum |
Species |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7715 |
Sophora tonkinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7715 |
Sophora tonkinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO19511 |
Dolabella californica |
Species |
Aplysiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22961 |
Cordia leucocephala |
Species |
Cordiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18473 |
Plathymenia reticulata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19036 |
Esenbeckia leiocarpa |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19912 |
Vellozia nanuzae |
Species |
Velloziaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5903 |
Conus mus |
Species |
Conidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22937 |
Vernonia fagifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21631 |
Faramea salicifolia |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21038 |
Lemaireocereus longispinus |
Species |
Cactaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28202 |
Helichrysum tenuifolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18143 |
Dendronephthya griffini |
Species |
Nephtheidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20084 |
Atraphaxis spinosa |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19995 |
Baccharis neglecta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20421 |
Aplophyllum alberti-regelii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16569 |
Gymnocalycium schickendantzii |
Species |
Cactaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7715 |
Sophora tonkinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11523 |
Erysimum leptophyllum |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20489 |
Epilobium hirsutum |
Species |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28072 |
Theonella conica |
Species |
Theonellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17849 |
Centaurea maculosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21243 |
Siphonaria capensis |
Species |
Siphonariidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4051 |
Tricholoma columbetta |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13449 |
Syzygium polycephaloides |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21108 |
Eria anomala |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12313 |
Haplophyllum obtusifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21562 |
Diospyros assimilis |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14241 |
Planchonia grandis |
Species |
Asterolecaniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16141 |
Piper regnellii |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18866 |
Pteridium esculentum |
Species |
Dennstaedtiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17560 |
Pancratium sickenbergeri |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17258 |
Rhinella marina |
Species |
Bufonidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9968 |
Shigella dysenteriae |
Species |
Enterobacteriaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19810 |
Myxococcus stipitatus |
Species |
Myxococcaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21495 |
Abelia chinensis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27367 |
Latrunculia magnifica |
Species |
Latrunculiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20843 |
Monsonia senegalensis |
Species |
Geraniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20624 |
Simarouba glauca |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
☑ 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].
  NP Quantity Composition/Concentration
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].
  Biological Activity
Activity Type |
# Activity |
IC50 |
5 |
Others |
14 |
Potency |
4 |
Activity Type |
# Activity |
Cell Line |
5 |
CELL-LINE |
1 |
NON-MOLECULAR |
5 |
Organism |
9 |
Others |
1 |
SINGLE PROTEIN |
2 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT65 |
Cell Line |
HepG2 |
Homo sapiens |
Activity |
>= |
25.0 |
% |
PMID[475789] |
NPT113 |
Cell Line |
RAW264.7 |
Mus musculus |
IC50 |
> |
200000.0 |
nM |
PMID[475790] |
NPT91 |
Cell Line |
KB |
Homo sapiens |
IC50 |
> |
40000.0 |
nM |
PMID[475795] |
NPT82 |
Cell Line |
MDA-MB-231 |
Homo sapiens |
IC50 |
> |
40000.0 |
nM |
PMID[475795] |
NPT81 |
Cell Line |
A549 |
Homo sapiens |
IC50 |
> |
40000.0 |
nM |
PMID[475795] |
NPT963 |
Organism |
Hepatitis B virus |
Hepatitis B virus |
Activity |
= |
57.2 |
% |
PMID[475789] |
NPT963 |
Organism |
Hepatitis B virus |
Hepatitis B virus |
Activity |
= |
21.6 |
% |
PMID[475789] |
NPT963 |
Organism |
Hepatitis B virus |
Hepatitis B virus |
Activity |
= |
34.6 |
% |
PMID[475789] |
NPT963 |
Organism |
Hepatitis B virus |
Hepatitis B virus |
Activity |
= |
31.4 |
% |
PMID[475789] |
NPT2 |
Others |
Unspecified |
|
FC |
= |
3.47 |
n.a. |
PMID[475790] |
NPT24647 |
CELL-LINE |
HepG2 2.2.15 |
Homo sapiens |
Inhibition |
= |
21.6 |
% |
PMID[475791] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Potency |
n.a. |
8407.1 |
nM |
PMID[475792] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Potency |
n.a. |
0.6 |
nM |
PMID[475792] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Potency |
n.a. |
749.3 |
nM |
PMID[475792] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Potency |
n.a. |
1.2 |
nM |
PMID[475792] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
> |
40000.0 |
nM |
PMID[475795] |
NPT20555 |
ORGANISM |
SARS-CoV-2 |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
31.63 |
% |
PMID[475796] |
NPT20556 |
SINGLE PROTEIN |
Replicase polyprotein 1ab |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
15.21 |
% |
PMID[475797] |
NPT20556 |
SINGLE PROTEIN |
Replicase polyprotein 1ab |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
8.041 |
% |
PMID[475798] |
NPT20555 |
ORGANISM |
SARS-CoV-2 |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
0.07 |
% |
PMID[475799] |
NPT20555 |
ORGANISM |
SARS-CoV-2 |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
0.0 |
% |
PMID[475800] |
☑ 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.
  Chemically structural similarity: I. Similar Active Natural Products in NPASS
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 NPC127430 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 118 |
0.1-0.2 | 1911 |
0.2-0.3 | 24809 |
0.3-0.4 | 13756 |
0.4-0.5 | 1843 |
0.5-0.6 | 201 |
0.6-0.7 | 40 |
0.7-0.8 | 12 |
0.8-0.85 | 2 |
0.85-0.9 | 1 |
0.9-0.95 | 2 |
0.95-1 | 2 |
  Chemically structural similarity: II. Similar Clinical/Approved Drugs
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC127430 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 103 |
0.1-0.2 | 700 |
0.2-0.3 | 4438 |
0.3-0.4 | 3210 |
0.4-0.5 | 655 |
0.5-0.6 | 40 |
0.6-0.7 | 4 |
0.7-0.8 | 0 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |
0.759 |
Intermediate Similarity |
NPD529 |
Approved |
0.6163 |
Remote Similarity |
NPD816 |
Approved |
0.6163 |
Remote Similarity |
NPD815 |
Approved |
0.6133 |
Remote Similarity |
NPD1822 |
Approved |
0.6133 |
Remote Similarity |
NPD1821 |
Approved |
0.6133 |
Remote Similarity |
NPD1823 |
Approved |
0.5963 |
Remote Similarity |
NPD4063 |
Clinical (unspecified phase) |
0.5882 |
Remote Similarity |
NPD3550 |
Clinical (unspecified phase) |
0.5882 |
Remote Similarity |
NPD3549 |
Approved |
0.5882
|
Remote Similarity |
NPD3547 |
Approved |