Natural Product: NPC53868
Natural Product ID:   | NPC53868 |
Common Name*:   | BJDCWCLMFKKGEE-ISOSDAIHSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | BJDCWCLMFKKGEE-ISOSDAIHSA-N |
Standard InCHI:   | InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1 |
SMILES:   | O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
CHEMBL307261 |
PubChem CID:   |
3000518 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001550] Sesquiterpenoids[CHEMONTID:0002440] Artemisinins
|
*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 |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
stem |
n.a. |
DOI[10.1007/s11418-006-0112-9] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
flower |
n.a. |
DOI[10.1007/s11418-006-0112-9] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1007/s11418-006-0112-9] |
NPO448 |
Millettia usaramensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26651537] |
NPO40074 |
Cleistochlamys kirkii |
Species |
Annonaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[28001067] |
NPO40135 |
Flindersia pimenteliana |
Species |
Rutaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[29236492] |
NPO40003 |
Acronychia pubescens |
Species |
Rutaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[30865443] |
NPO41040 |
Sphaerocoryne gracilis ssp. gracilis |
Strain |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32067457] |
NPO40139 |
Ganoderma colossus |
Species |
Polyporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32639735] |
NPO40732 |
Amathia lamourouxi |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[33105995] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6387056] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10506 |
Artemisia apiacea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO448 |
Millettia usaramensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10506 |
Artemisia apiacea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO10506 |
Artemisia apiacea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO10506 |
Artemisia apiacea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO26589 |
Artemisia annua L. |
Strain |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO448 |
Millettia usaramensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10506 |
Artemisia apiacea |
Species |
Asteraceae |
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 |
EC50 |
17 |
ED50 |
2 |
GI50 |
11 |
IC50 |
77 |
Others |
90 |
Activity Type |
# Activity |
Cell Line |
69 |
CELL-LINE |
2 |
Individual Protein |
3 |
NON-MOLECULAR |
24 |
Organism |
58 |
Others |
39 |
SINGLE PROTEIN |
1 |
Tissue |
1 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT81 |
Cell Line |
A549 |
Homo sapiens |
IC50 |
= |
80420.0 |
nM |
PMID[452543] |
NPT83 |
Cell Line |
MCF7 |
Homo sapiens |
GI50 |
= |
33220.0 |
nM |
PMID[452544] |
NPT616 |
Cell Line |
MDCK |
Canis lupus familiaris |
Papp |
= |
31.37 |
10'-6 cm/s |
PMID[452544] |
NPT616 |
Cell Line |
MDCK |
Canis lupus familiaris |
Papp |
= |
25.1 |
10'-6 cm/s |
PMID[452544] |
NPT616 |
Cell Line |
MDCK |
Canis lupus familiaris |
Ratio |
= |
0.8 |
n.a. |
PMID[452544] |
NPT71 |
Cell Line |
HEK293 |
Homo sapiens |
Activity |
= |
54.0 |
% |
PMID[452546] |
NPT71 |
Cell Line |
HEK293 |
Homo sapiens |
Activity |
= |
50.0 |
% |
PMID[452546] |
NPT189 |
Cell Line |
Vero |
Chlorocebus aethiops |
Ratio IC50 |
= |
63.0 |
n.a. |
PMID[452547] |
NPT189 |
Cell Line |
Vero |
Chlorocebus aethiops |
Ratio IC50 |
= |
12.0 |
n.a. |
PMID[452547] |
NPT189 |
Cell Line |
Vero |
Chlorocebus aethiops |
Ratio IC50 |
= |
25.0 |
n.a. |
PMID[452547] |
NPT65 |
Cell Line |
HepG2 |
Homo sapiens |
Ratio IC50 |
= |
1.81 |
n.a. |
PMID[452547] |
NPT116 |
Cell Line |
HL-60 |
Homo sapiens |
Activity |
= |
8.0 |
% |
PMID[452547] |
NPT116 |
Cell Line |
HL-60 |
Homo sapiens |
Activity |
= |
20.0 |
% |
PMID[452547] |
NPT116 |
Cell Line |
HL-60 |
Homo sapiens |
Activity |
= |
32.0 |
% |
PMID[452547] |
NPT116 |
Cell Line |
HL-60 |
Homo sapiens |
Activity |
= |
41.0 |
% |
PMID[452547] |
NPT71 |
Cell Line |
HEK293 |
Homo sapiens |
GI |
= |
50.0 |
% |
PMID[452549] |
NPT737 |
Cell Line |
HUVEC |
Homo sapiens |
IC50 |
= |
1400.0 |
nM |
PMID[452553] |
NPT737 |
Cell Line |
HUVEC |
Homo sapiens |
Efficacy |
= |
28.0 |
% |
PMID[452553] |
NPT1886 |
Cell Line |
J774 |
Mus musculus |
EC50 |
= |
1500.0 |
nM |
PMID[452554] |
NPT1535 |
Cell Line |
U-87 MG |
Homo sapiens |
IC50 |
> |
50000.0 |
nM |
PMID[452555] |
NPT519 |
Cell Line |
SH-SY5Y |
Homo sapiens |
IC50 |
> |
50000.0 |
nM |
PMID[452555] |
NPT83 |
Cell Line |
MCF7 |
Homo sapiens |
IC50 |
> |
50000.0 |
nM |
PMID[452555] |
NPT82 |
Cell Line |
MDA-MB-231 |
Homo sapiens |
IC50 |
= |
45700.0 |
nM |
PMID[452555] |
NPT81 |
Cell Line |
A549 |
Homo sapiens |
IC50 |
= |
46800.0 |
nM |
PMID[452555] |
NPT1083 |
Cell Line |
A-375 |
Homo sapiens |
IC50 |
= |
38500.0 |
nM |
PMID[452555] |
NPT404 |
Cell Line |
CCRF-CEM |
Homo sapiens |
EC50 |
= |
85.0 |
nM |
PMID[452556] |
NPT2251 |
Cell Line |
ADR5000 cell line |
|
EC50 |
= |
265.0 |
nM |
PMID[452556] |
NPT71 |
Cell Line |
HEK293 |
Homo sapiens |
IC50 |
= |
9900.0 |
nM |
PMID[452557] |
NPT139 |
Cell Line |
HT-29 |
Homo sapiens |
IC50 |
= |
18520.0 |
nM |
PMID[452560] |
NPT139 |
Cell Line |
HT-29 |
Homo sapiens |
IC50 |
> |
100000.0 |
nM |
PMID[452560] |
NPT82 |
Cell Line |
MDA-MB-231 |
Homo sapiens |
IC50 |
= |
5640.0 |
nM |
PMID[452560] |
NPT82 |
Cell Line |
MDA-MB-231 |
Homo sapiens |
IC50 |
= |
47110.0 |
nM |
PMID[452560] |
NPT1083 |
Cell Line |
A-375 |
Homo sapiens |
IC50 |
> |
50000.0 |
nM |
PMID[452562] |
NPT81 |
Cell Line |
A549 |
Homo sapiens |
IC50 |
= |
29900.0 |
nM |
PMID[452562] |
NPT519 |
Cell Line |
SH-SY5Y |
Homo sapiens |
IC50 |
> |
50000.0 |
nM |
PMID[452562] |
NPT393 |
Cell Line |
HCT-116 |
Homo sapiens |
IC50 |
= |
32800.0 |
nM |
PMID[452562] |
NPT681 |
Cell Line |
PC-12 |
Rattus norvegicus |
IC50 |
> |
50000.0 |
nM |
PMID[452562] |
NPT116 |
Cell Line |
HL-60 |
Homo sapiens |
GI50 |
= |
191.0 |
nM |
PMID[452563] |
NPT466 |
Cell Line |
U-937 |
Homo sapiens |
GI50 |
= |
910.0 |
nM |
PMID[452563] |
NPT111 |
Cell Line |
K562 |
Homo sapiens |
GI50 |
> |
10000.0 |
nM |
PMID[452563] |
NPT2678 |
Cell Line |
NB-4 |
Homo sapiens |
GI50 |
= |
151.0 |
nM |
PMID[452563] |
NPT306 |
Cell Line |
PC-3 |
Homo sapiens |
GI50 |
> |
10000.0 |
nM |
PMID[452563] |
NPT858 |
Cell Line |
LNCaP |
Homo sapiens |
GI50 |
> |
10000.0 |
nM |
PMID[452563] |
NPT82 |
Cell Line |
MDA-MB-231 |
Homo sapiens |
GI50 |
= |
12580.0 |
nM |
PMID[452563] |
NPT83 |
Cell Line |
MCF7 |
Homo sapiens |
GI50 |
= |
33220.0 |
nM |
PMID[452563] |
NPT378 |
Cell Line |
NCI/ADR-RES |
Homo sapiens |
GI50 |
= |
3320.0 |
nM |
PMID[452563] |
NPT83 |
Cell Line |
MCF7 |
Homo sapiens |
IC50 |
= |
39900.0 |
nM |
PMID[452566] |
NPT1034 |
Cell Line |
Lu1 |
Homo sapiens |
IC50 |
= |
39900.0 |
nM |
PMID[452566] |
NPT116 |
Cell Line |
HL-60 |
Homo sapiens |
IC50 |
= |
39900.0 |
nM |
PMID[452566] |
NPT168 |
Cell Line |
P388 |
Mus musculus |
IC50 |
= |
39900.0 |
nM |
PMID[452566] |
NPT111 |
Cell Line |
K562 |
Homo sapiens |
IC50 |
= |
42440.0 |
nM |
PMID[452566] |
NPT306 |
Cell Line |
PC-3 |
Homo sapiens |
IC50 |
= |
42440.0 |
nM |
PMID[452566] |
NPT762 |
Cell Line |
A-431 |
Homo sapiens |
IC50 |
= |
42440.0 |
nM |
PMID[452566] |
NPT82 |
Cell Line |
MDA-MB-231 |
Homo sapiens |
IC50 |
= |
42440.0 |
nM |
PMID[452566] |
NPT407 |
Cell Line |
COLO 205 |
Homo sapiens |
IC50 |
= |
42440.0 |
nM |
PMID[452566] |
NPT81 |
Cell Line |
A549 |
Homo sapiens |
IC50 |
= |
42440.0 |
nM |
PMID[452566] |
NPT65 |
Cell Line |
HepG2 |
Homo sapiens |
IC50 |
= |
63700.0 |
nM |
PMID[452566] |
NPT91 |
Cell Line |
KB |
Homo sapiens |
IC50 |
= |
95300.0 |
nM |
PMID[452566] |
NPT2413 |
Cell Line |
PC-14 |
Homo sapiens |
Activity |
= |
45.0 |
% |
PMID[452567] |
NPT393 |
Cell Line |
HCT-116 |
Homo sapiens |
Activity |
= |
48.3 |
% |
PMID[452567] |
NPT466 |
Cell Line |
U-937 |
Homo sapiens |
TGI |
= |
70.0 |
% |
PMID[452567] |
NPT466 |
Cell Line |
U-937 |
Homo sapiens |
Activity |
= |
70.0 |
% |
PMID[452567] |
NPT76 |
Cell Line |
C6 |
Rattus norvegicus |
Activity |
= |
66.42 |
% |
PMID[452567] |
NPT71 |
Cell Line |
HEK293 |
Homo sapiens |
GI |
= |
31.0 |
% |
PMID[452570] |
NPT1886 |
Cell Line |
J774 |
Mus musculus |
EC50 |
= |
1530.0 |
nM |
PMID[452573] |
NPT71 |
Cell Line |
HEK293 |
Homo sapiens |
GI |
= |
41.1 |
% |
PMID[452575] |
NPT71 |
Cell Line |
HEK293 |
Homo sapiens |
GI |
= |
50.0 |
% |
PMID[452578] |
NPT179 |
Cell Line |
A2780 |
Homo sapiens |
IC50 |
= |
1000.0 |
nM |
PMID[452580] |
NPT377 |
Cell Line |
OVCAR-3 |
Homo sapiens |
IC50 |
= |
1000.0 |
nM |
PMID[452580] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
> |
100000.0 |
nM |
PMID[452543] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
= |
21920.0 |
nM |
PMID[452543] |
NPT27 |
Others |
Unspecified |
|
IC50 |
= |
145900.0 |
nM |
PMID[452543] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
1.81 |
n.a. |
PMID[452543] |
NPT668 |
Individual Protein |
P-glycoprotein 1 |
Homo sapiens |
Papp |
= |
27.97 |
10'-6 cm/s |
PMID[452544] |
NPT668 |
Individual Protein |
P-glycoprotein 1 |
Homo sapiens |
Papp |
= |
24.87 |
10'-6 cm/s |
PMID[452544] |
NPT668 |
Individual Protein |
P-glycoprotein 1 |
Homo sapiens |
Ratio |
= |
0.89 |
n.a. |
PMID[452544] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
440.0 |
nM |
PMID[452545] |
NPT757 |
Organism |
Plasmodium falciparum 3D7 |
Plasmodium falciparum 3D7 |
IC50 |
= |
0.1 |
nM |
PMID[452546] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.146 |
nM |
PMID[452546] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
37.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
58.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
8.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
2.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
49.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
6.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
93.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
91.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
58.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
71.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
41.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
43.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
36.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
39.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
32.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
42.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
48.1 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
GI |
= |
63.0 |
% |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
= |
2000.0 |
nM |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
= |
58000.0 |
nM |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
> |
100000.0 |
nM |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
= |
29000.0 |
nM |
PMID[452547] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
= |
32000.0 |
nM |
PMID[452547] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
19.0 |
n.a. |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
5.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
27.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
62.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
34.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
4.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
75.0 |
% |
PMID[452547] |
NPT610 |
Others |
Molecular identity unknown |
|
Activity |
= |
20.0 |
% |
PMID[452547] |
NPT35 |
Others |
n.a. |
|
LogP |
= |
3.5 |
n.a. |
PMID[452547] |
NPT35 |
Others |
n.a. |
|
Tm |
= |
160.0 |
degrees C |
PMID[452548] |
NPT35 |
Others |
n.a. |
|
T |
= |
136.7 |
degrees C |
PMID[452548] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
= |
2.2 |
nM |
PMID[452548] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
= |
1.2 |
nM |
PMID[452548] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
0.6 |
n.a. |
PMID[452548] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
> |
100000.0 |
nM |
PMID[452548] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
> |
45455.0 |
n.a. |
PMID[452548] |
NPT2 |
Others |
Unspecified |
|
Selectivity Index |
> |
22.0 |
n.a. |
PMID[452549] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.15 |
nM |
PMID[452549] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.11 |
nM |
PMID[452549] |
NPT1173 |
Organism |
Candida albicans SC5314 |
Candida albicans SC5314 |
FICI |
= |
0.145 |
n.a. |
PMID[452550] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
4.32 |
nM |
PMID[452551] |
NPT475 |
Organism |
Plasmodium yoelii |
Plasmodium yoelii |
GI |
= |
100.0 |
% |
PMID[452551] |
NPT475 |
Organism |
Plasmodium yoelii |
Plasmodium yoelii |
TIME |
= |
360.0 |
hr |
PMID[452551] |
NPT475 |
Organism |
Plasmodium yoelii |
Plasmodium yoelii |
Survival |
= |
100.0 |
% |
PMID[452551] |
NPT475 |
Organism |
Plasmodium yoelii |
Plasmodium yoelii |
TIME |
= |
96.0 |
hr |
PMID[452551] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
TIME |
= |
3.0 |
hr |
PMID[452552] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
TIME |
= |
1.0 |
hr |
PMID[452552] |
NPT3901 |
Tissue |
Chorioallantoic membrane |
Gallus gallus |
Activity |
= |
2.8 |
% |
PMID[452553] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
5.5 |
nM |
PMID[452554] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
5.9 |
nM |
PMID[452554] |
NPT21742 |
CELL-LINE |
L02 |
Homo sapiens |
IC50 |
= |
34000.0 |
nM |
PMID[452555] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
2.4 |
nM |
PMID[452556] |
NPT2262 |
Organism |
Human herpesvirus 5 strain AD169 |
Human herpesvirus 5 strain AD169 |
EC50 |
> |
10000.0 |
nM |
PMID[452556] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.4 |
nM |
PMID[452557] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.3 |
nM |
PMID[452557] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
38091.0 |
n.a. |
PMID[452557] |
NPT474 |
Organism |
Plasmodium berghei |
Plasmodium berghei |
ED50 |
= |
1.95 |
mg.kg-1 |
PMID[452558] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
3.0 |
nM |
PMID[452558] |
NPT2 |
Others |
Unspecified |
|
IC50 |
= |
4.1 |
nM |
PMID[452558] |
NPT2262 |
Organism |
Human herpesvirus 5 strain AD169 |
Human herpesvirus 5 strain AD169 |
EC50 |
> |
10000.0 |
nM |
PMID[452559] |
NPT2 |
Others |
Unspecified |
|
IC50 |
= |
15000.0 |
nM |
PMID[452561] |
NPT21742 |
CELL-LINE |
L02 |
Homo sapiens |
IC50 |
> |
50000.0 |
nM |
PMID[452562] |
NPT2 |
Others |
Unspecified |
|
RatioGI50 |
= |
10.0 |
n.a. |
PMID[452563] |
NPT20555 |
ORGANISM |
SARS-CoV-2 |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
-5.76 |
% |
PMID[452564] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
2.4 |
nM |
PMID[452565] |
NPT2 |
Others |
Unspecified |
|
IC50 |
= |
1.17 |
ug.mL-1 |
PMID[452567] |
NPT27 |
Others |
Unspecified |
|
T1/2 |
< |
1.0 |
hr |
PMID[452568] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
2.6 |
nM |
PMID[452569] |
NPT1750 |
Organism |
Human herpesvirus 5 |
Human herpesvirus 5 |
EC50 |
> |
10000.0 |
nM |
PMID[452569] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.5 |
nM |
PMID[452570] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.4 |
nM |
PMID[452570] |
NPT2254 |
Organism |
Schistosoma mansoni |
Schistosoma mansoni |
Activity |
= |
66.0 |
% |
PMID[452571] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
4.7 |
nM |
PMID[452572] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
4.2 |
nM |
PMID[452572] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
5.47 |
nM |
PMID[452573] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
5.86 |
nM |
PMID[452573] |
NPT474 |
Organism |
Plasmodium berghei |
Plasmodium berghei |
ED50 |
= |
1.3 |
mg.kg-1 |
PMID[452574] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.9 |
nM |
PMID[452575] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
1.6 |
nM |
PMID[452575] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
1.8 |
n.a. |
PMID[452575] |
NPT20556 |
SINGLE PROTEIN |
Replicase polyprotein 1ab |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
5.717 |
% |
PMID[452576] |
NPT20555 |
ORGANISM |
SARS-CoV-2 |
Severe acute respiratory syndrome coronavirus 2 |
Inhibition |
= |
0.15 |
% |
PMID[452577] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.11 |
nM |
PMID[452578] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
0.15 |
nM |
PMID[452578] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
> |
22000.0 |
n.a. |
PMID[452578] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
1.4 |
nM |
PMID[452579] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
5.0 |
n.a. |
PMID[452580] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
> |
10.0 |
ug.mL-1 |
PMID[452581] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
17.4 |
nM |
PMID[452582] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
EC50 |
= |
37.4 |
nM |
PMID[452582] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
2.0 |
nM |
PMID[452583] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
62.0 |
n.a. |
PMID[452583] |
NPT2 |
Others |
Unspecified |
|
Ratio IC50 |
= |
57.0 |
n.a. |
PMID[452583] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
2.7 |
nM |
PMID[452584] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
2.68 |
nM |
PMID[452584] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
3.2 |
nM |
PMID[452584] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
3.7 |
nM |
PMID[452584] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
5.6 |
nM |
PMID[452584] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
5.2 |
nM |
PMID[452584] |
NPT6 |
Organism |
Plasmodium falciparum |
Plasmodium falciparum |
IC50 |
= |
5.9 |
nM |
PMID[452584] |
NPT2 |
Others |
Unspecified |
|
GI50 |
= |
3320 |
nM |
PMID[26741854] |
☑ 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 ![](images/questionmark.png)
●  The left chart: Distribution of similarity level between NPC53868 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 | 570 |
0.1-0.2 | 5212 |
0.2-0.3 | 14930 |
0.3-0.4 | 11554 |
0.4-0.5 | 5689 |
0.5-0.6 | 4044 |
0.6-0.7 | 657 |
0.7-0.8 | 20 |
0.8-0.85 | 6 |
0.85-0.9 | 4 |
0.9-0.95 | 3 |
0.95-1 | 8 |
  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 NPC53868 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 601 |
0.1-0.2 | 4650 |
0.2-0.3 | 2840 |
0.3-0.4 | 626 |
0.4-0.5 | 333 |
0.5-0.6 | 86 |
0.6-0.7 | 5 |
0.7-0.8 | 0 |
0.8-0.85 | 2 |
0.85-0.9 | 2 |
0.9-0.95 | 3 |
0.95-1 | 2 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |
1.0 |
High Similarity |
NPD1811 |
Approved |
1.0 |
High Similarity |
NPD1810 |
Approved |
0.9275 |
High Similarity |
NPD2686 |
Approved |
0.9275 |
High Similarity |
NPD2254 |
Approved |
0.9275 |
High Similarity |
NPD2687 |
Approved |
0.859 |
High Similarity |
NPD3670 |
Clinical (unspecified phase) |
0.859 |
High Similarity |
NPD3669 |
Approved |
0.8101 |
Intermediate Similarity |
NPD1779 |
Approved |
0.8101 |
Intermediate Similarity |
NPD1780 |
Approved |
0.7162 |
Intermediate Similarity |
NPD371 |
Approved |
0.6923 |
Remote Similarity |
NPD8171 |
Discontinued |
0.6706 |
Remote Similarity |
NPD6928 |
Phase 2 |
0.6625 |
Remote Similarity |
NPD7532 |
Clinical (unspecified phase) |
0.64 |
Remote Similarity |
NPD3710 |
Phase 2 |
0.625 |
Remote Similarity |
NPD890 |
Clinical (unspecified phase) |
0.625 |
Remote Similarity |
NPD892 |
Phase 3 |
0.625 |
Remote Similarity |
NPD893 |
Approved |
0.625 |
Remote Similarity |
NPD891 |
Phase 3 |
0.625 |
Remote Similarity |
NPD888 |
Phase 3 |
0.6238 |
Remote Similarity |
NPD8170 |
Clinical (unspecified phase) |
0.6098 |
Remote Similarity |
NPD4267 |
Clinical (unspecified phase) |
0.6087 |
Remote Similarity |
NPD385 |
Approved |
0.6087 |
Remote Similarity |
NPD384 |
Approved |
0.6 |
Remote Similarity |
NPD8132 |
Clinical (unspecified phase) |
0.5972 |
Remote Similarity |
NPD905 |
Approved |
0.5972 |
Remote Similarity |
NPD904 |
Phase 3 |
0.5942 |
Remote Similarity |
NPD386 |
Approved |
0.5942 |
Remote Similarity |
NPD388 |
Approved |
0.5926 |
Remote Similarity |
NPD8133 |
Approved |
0.5897 |
Remote Similarity |
NPD6123 |
Approved |
0.5811 |
Remote Similarity |
NPD894 |
Approved |
0.5811 |
Remote Similarity |
NPD889 |
Approved |
0.5811 |
Remote Similarity |
NPD887 |
Approved |
0.5811 |
Remote Similarity |
NPD895 |
Approved |
0.581 |
Remote Similarity |
NPD6412 |
Phase 2 |
0.5789 |
Remote Similarity |
NPD2267 |
Suspended |
0.5766 |
Remote Similarity |
NPD8295 |
Clinical (unspecified phase) |
0.5758 |
Remote Similarity |
NPD7991 |
Discontinued |
0.5752 |
Remote Similarity |
NPD8294 |
Approved |
0.5752 |
Remote Similarity |
NPD8377 |
Approved |
0.5733 |
Remote Similarity |
NPD7346 |
Approved |
0.573 |
Remote Similarity |
NPD6114 |
Approved |
0.573 |
Remote Similarity |
NPD6115 |
Approved |
0.573 |
Remote Similarity |
NPD6118 |
Approved |
0.573 |
Remote Similarity |
NPD6697 |
Approved |
0.5714 |
Remote Similarity |
NPD7327 |
Approved |
0.5714 |
Remote Similarity |
NPD7328 |
Approved |
0.5702 |
Remote Similarity |
NPD8379 |
Approved |
0.5702 |
Remote Similarity |
NPD8378 |
Approved |
0.5702 |
Remote Similarity |
NPD8033 |
Approved |
0.5702 |
Remote Similarity |
NPD8335 |
Approved |
0.5702 |
Remote Similarity |
NPD8380 |
Approved |
0.5702 |
Remote Similarity |
NPD8296 |
Approved |
0.5696 |
Remote Similarity |
NPD1145 |
Discontinued |
0.5676 |
Remote Similarity |
NPD2269 |
Approved |
0.5664 |
Remote Similarity |
NPD7516 |
Approved |
0.5652 |
Remote Similarity |
NPD367 |
Approved |
0.5618 |
Remote Similarity |
NPD6116 |
Phase 1 |
0.5607
|
Remote Similarity |
NPD6686 |
Approved |