Natural Product: NPC220111
Natural Product ID:   | NPC220111 |
Common Name*:   | Imperialine |
IUPAC Name:   | n.a. |
Synonyms:   | Imperialine |
Standard InCHIKey:   | IQDIERHFZVCNRZ-LRCDAWNTSA-N |
Standard InCHI:   | InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/p+1/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1 |
SMILES:   | C[C@H]1CC[C@H]2[C@](C)([C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@H](CC[C@]54C)O)[C@@H]3C[NH+]2C1)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
CHEMBL1623724 |
PubChem CID:   |
442977 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000258] Steroids and steroid derivatives
[CHEMONTID:0002724] Steroidal alkaloids[CHEMONTID:0002729] Cerveratrum-type 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 |
NPO28298 |
Boletinus cavipes |
Species |
Gyrodontaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15217273] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17703773] |
NPO24702 |
Piptadenia pervillei |
Species |
Fabaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[19299148] |
NPO21470 |
Conoideocrella tenuis |
Species |
Clavicipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21473608] |
NPO21470 |
Conoideocrella tenuis |
Species |
Clavicipitaceae |
Eukaryota |
n.a. |
mycelium |
n.a. |
PMID[21473608] |
NPO2715 |
Murraya paniculata |
Species |
Rutaceae |
Eukaryota |
n.a. |
twig |
n.a. |
PMID[24354205] |
NPO2715 |
Murraya paniculata |
Species |
Rutaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[24354205] |
NPO27120 |
Seseli yunnanense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17866 |
Peucedanum rubricaule |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20496 |
Caragana stenophylla |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8471 |
Angelica taiwaniana |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2715 |
Murraya paniculata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22292 |
Fritillaria przewalskii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12746 |
Pleurospermum rivulorum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12273 |
Fritillaria delavayi |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18644 |
Fritillaria walujewii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24185 |
Diospyros lotus |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11228 |
Fritillaria pallidiflora |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9481 |
Strophanthus divaricatus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23972 |
Fritillaria imperialis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1279 |
Fritillaria cirrhosa |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25808.1 |
Fritillaria taipaiensis var. ningxiaensis |
Varieties |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5648 |
Fritillaria ussuriensis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14849 |
Fritillaria unibracteata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1279 |
Fritillaria cirrhosa |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9481 |
Strophanthus divaricatus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23260 |
Fomitopsis spraguei |
Species |
Fomitopsidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14849 |
Fritillaria unibracteata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25334 |
Bulbus fritillariae |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11228 |
Fritillaria pallidiflora |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22292 |
Fritillaria przewalskii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2715 |
Murraya paniculata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20496 |
Caragana stenophylla |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12273 |
Fritillaria delavayi |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24185 |
Diospyros lotus |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12746 |
Pleurospermum rivulorum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17866 |
Peucedanum rubricaule |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23972 |
Fritillaria imperialis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18644 |
Fritillaria walujewii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25808.1 |
Fritillaria taipaiensis var. ningxiaensis |
Varieties |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8471 |
Angelica taiwaniana |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO27120 |
Seseli yunnanense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5648 |
Fritillaria ussuriensis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18644 |
Fritillaria walujewii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5648 |
Fritillaria ussuriensis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17866 |
Peucedanum rubricaule |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO27120 |
Seseli yunnanense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24185 |
Diospyros lotus |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22292 |
Fritillaria przewalskii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11228 |
Fritillaria pallidiflora |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23972 |
Fritillaria imperialis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12273 |
Fritillaria delavayi |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14849 |
Fritillaria unibracteata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2715 |
Murraya paniculata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12556 |
Fritillaria verticillata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9481 |
Strophanthus divaricatus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22292 |
Fritillaria przewalskii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO4487 |
Fritillaria thunbergii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14135 |
Fritillaria prezewalskii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO12556 |
Fritillaria verticillata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14849 |
Fritillaria unibracteata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1279 |
Fritillaria cirrhosa |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25808 |
Fritillaria taipaiensis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2715 |
Murraya paniculata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18644 |
Fritillaria walujewii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11228 |
Fritillaria pallidiflora |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5648 |
Fritillaria ussuriensis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO12273 |
Fritillaria delavayi |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8515 |
Cenchrus setaceus |
Species |
Poaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1158 |
Isochrysis galbana |
Species |
Isochrysidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23301 |
Salvia macrosiphon |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21470 |
Conoideocrella tenuis |
Species |
Clavicipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20496 |
Caragana stenophylla |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5648 |
Fritillaria ussuriensis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12273 |
Fritillaria delavayi |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24906 |
Inga reticulata |
Species |
Oecophoridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23927 |
Trichopezizella barbata |
Species |
Hyaloscyphaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2795 |
Haplopappus rengifoanus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24423 |
Agaricus albus |
Species |
Agaricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1279 |
Fritillaria cirrhosa |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12556 |
Fritillaria verticillata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22292 |
Fritillaria przewalskii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23260 |
Fomitopsis spraguei |
Species |
Fomitopsidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4487 |
Fritillaria thunbergii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14849 |
Fritillaria unibracteata |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18644 |
Fritillaria walujewii |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24748 |
Choristoneura rosaceana |
Species |
Tortricidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24185 |
Diospyros lotus |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11228 |
Fritillaria pallidiflora |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8471 |
Angelica taiwaniana |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23972 |
Fritillaria imperialis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24702 |
Piptadenia pervillei |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2715 |
Murraya paniculata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28298 |
Boletinus cavipes |
Species |
Gyrodontaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25808 |
Fritillaria taipaiensis |
Species |
Liliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24340 |
Acacia trineura |
Species |
Fabaceae |
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 |
1 |
IC50 |
2 |
Kd |
1 |
Others |
26 |
Potency |
1 |
Activity Type |
# Activity |
Individual Protein |
4 |
Others |
1 |
TISSUE |
26 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT66 |
Individual Protein |
Acetylcholinesterase |
Electrophorus electricus |
Inhibition |
= |
24.89 |
% |
PMID[520142] |
NPT66 |
Individual Protein |
Acetylcholinesterase |
Electrophorus electricus |
IC50 |
> |
100000.0 |
nM |
PMID[520145] |
NPT67 |
Individual Protein |
Cholinesterase |
Equus caballus |
Inhibition |
= |
6.5 |
% |
PMID[520142] |
NPT2 |
Others |
Unspecified |
|
Potency |
n.a. |
35481.3 |
nM |
PMID[520143] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
6.4 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
0.55 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
0.58 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
50.7 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
2.44 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
6.8 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
7.2 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
14.5 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
28.1 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
35.3 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
40.4 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
45.7 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
0.48 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
0.52 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
0.5 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Kd |
= |
3.89 |
nM |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
EC50 |
= |
4400.0 |
nM |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
6.0 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
0.49 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
6.3 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
2.43 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
5.7 |
% |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
2.42 |
g |
PMID[520144] |
NPT25436 |
TISSUE |
Trachea |
Rattus norvegicus |
Activity |
= |
2.41 |
g |
PMID[520144] |
NPT67 |
Individual Protein |
Cholinesterase |
Equus caballus |
IC50 |
> |
100000.0 |
nM |
PMID[520145] |
☑ 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 NPC220111 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 | 171 |
0.1-0.2 | 2422 |
0.2-0.3 | 17631 |
0.3-0.4 | 11138 |
0.4-0.5 | 5939 |
0.5-0.6 | 4537 |
0.6-0.7 | 775 |
0.7-0.8 | 75 |
0.8-0.85 | 5 |
0.85-0.9 | 1 |
0.9-0.95 | 2 |
0.95-1 | 1 |
  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 NPC220111 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 111 |
0.1-0.2 | 1498 |
0.2-0.3 | 4775 |
0.3-0.4 | 1956 |
0.4-0.5 | 525 |
0.5-0.6 | 221 |
0.6-0.7 | 50 |
0.7-0.8 | 12 |
0.8-0.85 | 2 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |
0.8431 |
Intermediate Similarity |
NPD6920 |
Discontinued |
0.8095 |
Intermediate Similarity |
NPD6415 |
Discontinued |
0.75 |
Intermediate Similarity |
NPD7646 |
Clinical (unspecified phase) |
0.7257 |
Intermediate Similarity |
NPD8298 |
Phase 2 |
0.7253 |
Intermediate Similarity |
NPD4808 |
Clinical (unspecified phase) |
0.7253 |
Intermediate Similarity |
NPD4809 |
Clinical (unspecified phase) |
0.7248 |
Intermediate Similarity |
NPD8040 |
Discontinued |
0.7064 |
Intermediate Similarity |
NPD7912 |
Approved |
0.7064 |
Intermediate Similarity |
NPD7986 |
Approved |
0.7064 |
Intermediate Similarity |
NPD7911 |
Approved |
0.7064 |
Intermediate Similarity |
NPD7987 |
Approved |
0.7033 |
Intermediate Similarity |
NPD3699 |
Clinical (unspecified phase) |
0.7033 |
Intermediate Similarity |
NPD3700 |
Clinical (unspecified phase) |
0.6944 |
Remote Similarity |
NPD8418 |
Phase 2 |
0.6923 |
Remote Similarity |
NPD5361 |
Clinical (unspecified phase) |
0.6923 |
Remote Similarity |
NPD5360 |
Phase 3 |
0.6915 |
Remote Similarity |
NPD6113 |
Clinical (unspecified phase) |
0.6875 |
Remote Similarity |
NPD7990 |
Approved |
0.6875 |
Remote Similarity |
NPD7989 |
Approved |
0.6774 |
Remote Similarity |
NPD4245 |
Approved |
0.6774 |
Remote Similarity |
NPD4244 |
Approved |
0.6774 |
Remote Similarity |
NPD4789 |
Approved |
0.6771 |
Remote Similarity |
NPD6117 |
Approved |
0.6724 |
Remote Similarity |
NPD8078 |
Approved |
0.6724 |
Remote Similarity |
NPD8077 |
Approved |
0.6701 |
Remote Similarity |
NPD6116 |
Phase 1 |
0.6667 |
Remote Similarity |
NPD3698 |
Phase 2 |
0.6667 |
Remote Similarity |
NPD3703 |
Phase 2 |
0.6633 |
Remote Similarity |
NPD6697 |
Approved |
0.6633 |
Remote Similarity |
NPD6115 |
Approved |
0.6633 |
Remote Similarity |
NPD6118 |
Approved |
0.6633 |
Remote Similarity |
NPD6114 |
Approved |
0.6593 |
Remote Similarity |
NPD3171 |
Clinical (unspecified phase) |
0.6574 |
Remote Similarity |
NPD7991 |
Discontinued |
0.6555 |
Remote Similarity |
NPD7754 |
Approved |
0.6555 |
Remote Similarity |
NPD7755 |
Approved |
0.6526 |
Remote Similarity |
NPD4758 |
Discontinued |
0.6465 |
Remote Similarity |
NPD3671 |
Phase 1 |
0.6455 |
Remote Similarity |
NPD7920 |
Phase 3 |
0.6455 |
Remote Similarity |
NPD7919 |
Phase 3 |
0.64 |
Remote Similarity |
NPD7155 |
Clinical (unspecified phase) |
0.6396 |
Remote Similarity |
NPD8088 |
Phase 1 |
0.6364 |
Remote Similarity |
NPD5349 |
Clinical (unspecified phase) |
0.6346 |
Remote Similarity |
NPD7520 |
Clinical (unspecified phase) |
0.63 |
Remote Similarity |
NPD5364 |
Discontinued |
0.626 |
Remote Similarity |
NPD7518 |
Approved |
0.626 |
Remote Similarity |
NPD7517 |
Approved |
0.626 |
Remote Similarity |
NPD7519 |
Approved |
0.6207 |
Remote Similarity |
NPD7333 |
Discontinued |
0.6204 |
Remote Similarity |
NPD6934 |
Discontinued |
0.6186 |
Remote Similarity |
NPD6081 |
Approved |
0.617 |
Remote Similarity |
NPD4224 |
Phase 2 |
0.6162 |
Remote Similarity |
NPD3702 |
Approved |
0.616 |
Remote Similarity |
NPD6908 |
Approved |
0.616 |
Remote Similarity |
NPD6909 |
Approved |
0.6154 |
Remote Similarity |
NPD4788 |
Approved |
0.6146 |
Remote Similarity |
NPD4267 |
Clinical (unspecified phase) |
0.6132 |
Remote Similarity |
NPD8308 |
Discontinued |
0.6095 |
Remote Similarity |
NPD4786 |
Approved |
0.6082 |
Remote Similarity |
NPD4787 |
Phase 1 |
0.602 |
Remote Similarity |
NPD5777 |
Approved |
0.6016 |
Remote Similarity |
NPD6940 |
Discontinued |
0.6 |
Remote Similarity |
NPD8035 |
Phase 2 |
0.6 |
Remote Similarity |
NPD8034 |
Phase 2 |
0.5983 |
Remote Similarity |
NPD8170 |
Clinical (unspecified phase) |
0.5981 |
Remote Similarity |
NPD3618 |
Phase 1 |
0.5979 |
Remote Similarity |
NPD3725 |
Approved |
0.5979 |
Remote Similarity |
NPD3726 |
Approved |
0.5965 |
Remote Similarity |
NPD3101 |
Approved |
0.5965 |
Remote Similarity |
NPD3102 |
Approved |
0.5965 |
Remote Similarity |
NPD3104 |
Approved |
0.5965 |
Remote Similarity |
NPD3103 |
Approved |
0.5963 |
Remote Similarity |
NPD5328 |
Approved |
0.5905 |
Remote Similarity |
NPD3667 |
Approved |
0.5856 |
Remote Similarity |
NPD6079 |
Approved |
0.5825 |
Remote Similarity |
NPD4777 |
Suspended |
0.5825 |
Remote Similarity |
NPD4776 |
Phase 2 |
0.5812 |
Remote Similarity |
NPD8086 |
Approved |
0.5812 |
Remote Similarity |
NPD8139 |
Approved |
0.5812 |
Remote Similarity |
NPD8085 |
Approved |
0.5812 |
Remote Similarity |
NPD8082 |
Approved |
0.5812 |
Remote Similarity |
NPD8084 |
Approved |
0.5812 |
Remote Similarity |
NPD8138 |
Approved |
0.5812 |
Remote Similarity |
NPD8083 |
Approved |
0.5804 |
Remote Similarity |
NPD4202 |
Approved |
0.58 |
Remote Similarity |
NPD355 |
Phase 2 |
0.5789 |
Remote Similarity |
NPD7751 |
Phase 1 |
0.578 |
Remote Similarity |
NPD621 |
Discontinued |
0.5766 |
Remote Similarity |
NPD6701 |
Clinical (unspecified phase) |
0.5766 |
Remote Similarity |
NPD6700 |
Approved |
0.5763 |
Remote Similarity |
NPD8276 |
Approved |
0.5763 |
Remote Similarity |
NPD8275 |
Approved |
0.575 |
Remote Similarity |
NPD8140 |
Approved |
0.5728 |
Remote Similarity |
NPD8144 |
Approved |
0.5728 |
Remote Similarity |
NPD8143 |
Approved |
0.5714 |
Remote Similarity |
NPD6703 |
Approved |
0.5714 |
Remote Similarity |
NPD6705 |
Phase 1 |
0.5714 |
Remote Similarity |
NPD6702 |
Approved |
0.5714 |
Remote Similarity |
NPD8081 |
Approved |
0.5714 |
Remote Similarity |
NPD6928 |
Phase 2 |
0.5714 |
Remote Similarity |
NPD7515 |
Phase 2 |
0.5702 |
Remote Similarity |
NPD8174 |
Phase 2 |
0.5692 |
Remote Similarity |
NPD7122 |
Discontinued |
0.5667 |
Remote Similarity |
NPD8393 |
Approved |
0.5664 |
Remote Similarity |
NPD6399 |
Phase 3 |
0.5659 |
Remote Similarity |
NPD6921 |
Approved |
0.5657 |
Remote Similarity |
NPD2697 |
Approved |
0.5657 |
Remote Similarity |
NPD2694 |
Approved |
0.5657 |
Remote Similarity |
NPD2695 |
Approved |
0.5657 |
Remote Similarity |
NPD2696 |
Approved |
0.5652 |
Remote Similarity |
NPD4697 |
Phase 3 |
0.5648 |
Remote Similarity |
NPD3666 |
Approved |
0.5648 |
Remote Similarity |
NPD3133 |
Approved |
0.5648 |
Remote Similarity |
NPD3665 |
Phase 1 |
0.5645 |
Remote Similarity |
NPD7335 |
Phase 2 |
0.5645 |
Remote Similarity |
NPD7336 |
Phase 2 |
0.5645 |
Remote Similarity |
NPD7337 |
Clinical (unspecified phase) |
0.562 |
Remote Similarity |
NPD8307 |
Discontinued |
0.5603
|
Remote Similarity |
NPD4755 |
Approved |