Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO7727 | Momordicae fructus | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT203 | Individual Protein | Carboxylesterase 2 | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
NPT166 | Individual Protein | Acyl coenzyme A:cholesterol acyltransferase | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
NPT2610 | Individual Protein | Acyl coenzyme A:cholesterol acyltransferase | Oryctolagus cuniculus | Ki | > | 100000 | nM | 15828829 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
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 NPC121215 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 |
---|---|---|
0.9091 | High Similarity | NPC248190 |
0.7812 | Intermediate Similarity | NPC100997 |
0.7632 | Intermediate Similarity | NPC223315 |
0.7317 | Intermediate Similarity | NPC18397 |
0.7188 | Intermediate Similarity | NPC307594 |
0.7188 | Intermediate Similarity | NPC227197 |
0.7 | Intermediate Similarity | NPC141634 |
0.697 | Remote Similarity | NPC79591 |
0.6875 | Remote Similarity | NPC30338 |
0.6875 | Remote Similarity | NPC91093 |
0.6667 | Remote Similarity | NPC66624 |
0.6667 | Remote Similarity | NPC321646 |
0.6562 | Remote Similarity | NPC185768 |
0.6562 | Remote Similarity | NPC254524 |
0.6562 | Remote Similarity | NPC33928 |
0.6522 | Remote Similarity | NPC20017 |
0.6429 | Remote Similarity | NPC135077 |
0.6429 | Remote Similarity | NPC59570 |
0.6429 | Remote Similarity | NPC215118 |
0.6429 | Remote Similarity | NPC45270 |
0.641 | Remote Similarity | NPC218357 |
0.6304 | Remote Similarity | NPC40249 |
0.6304 | Remote Similarity | NPC83187 |
0.6304 | Remote Similarity | NPC173996 |
0.6304 | Remote Similarity | NPC98246 |
0.6304 | Remote Similarity | NPC131981 |
0.6304 | Remote Similarity | NPC285814 |
0.625 | Remote Similarity | NPC222945 |
0.625 | Remote Similarity | NPC83723 |
0.625 | Remote Similarity | NPC32603 |
0.6216 | Remote Similarity | NPC168982 |
0.6176 | Remote Similarity | NPC129976 |
0.617 | Remote Similarity | NPC294440 |
0.6111 | Remote Similarity | NPC295442 |
0.6111 | Remote Similarity | NPC287782 |
0.6098 | Remote Similarity | NPC252843 |
0.6053 | Remote Similarity | NPC228727 |
0.6042 | Remote Similarity | NPC258672 |
0.6042 | Remote Similarity | NPC293343 |
0.6042 | Remote Similarity | NPC247786 |
0.6 | Remote Similarity | NPC171783 |
0.5952 | Remote Similarity | NPC38930 |
0.5946 | Remote Similarity | NPC222997 |
0.5946 | Remote Similarity | NPC29561 |
0.5946 | Remote Similarity | NPC79887 |
0.5946 | Remote Similarity | NPC4962 |
0.5946 | Remote Similarity | NPC42403 |
0.5946 | Remote Similarity | NPC221192 |
0.5946 | Remote Similarity | NPC153439 |
0.5946 | Remote Similarity | NPC196434 |
0.5938 | Remote Similarity | NPC141986 |
0.5909 | Remote Similarity | NPC248763 |
0.5909 | Remote Similarity | NPC325452 |
0.5897 | Remote Similarity | NPC94196 |
0.5854 | Remote Similarity | NPC301919 |
0.5814 | Remote Similarity | NPC3531 |
0.58 | Remote Similarity | NPC274182 |
0.5769 | Remote Similarity | NPC319589 |
0.5769 | Remote Similarity | NPC53245 |
0.5769 | Remote Similarity | NPC288296 |
0.5745 | Remote Similarity | NPC282440 |
0.5714 | Remote Similarity | NPC69245 |
0.5686 | Remote Similarity | NPC471751 |
0.5676 | Remote Similarity | NPC38859 |
0.5676 | Remote Similarity | NPC198118 |
0.5641 | Remote Similarity | NPC225318 |
0.5641 | Remote Similarity | NPC268596 |
0.5641 | Remote Similarity | NPC280532 |
0.5641 | Remote Similarity | NPC149101 |
0.5641 | Remote Similarity | NPC76608 |
0.5641 | Remote Similarity | NPC16578 |
0.5625 | Remote Similarity | NPC236355 |
0.5625 | Remote Similarity | NPC59846 |
0.5625 | Remote Similarity | NPC4079 |
0.5625 | Remote Similarity | NPC147212 |
0.5625 | Remote Similarity | NPC14917 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC121215 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 |
---|---|---|---|
0.65 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.641 | Remote Similarity | NPD9447 | Approved |
0.6304 | Remote Similarity | NPD344 | Approved |
0.6304 | Remote Similarity | NPD343 | Approved |
0.6304 | Remote Similarity | NPD345 | Approved |
0.5814 | Remote Similarity | NPD9450 | Approved |
0.5814 | Remote Similarity | NPD77 | Approved |
0.5682 | Remote Similarity | NPD9635 | Discontinued |
PubChem CID   | 13005 |
ChEMBL   | CHEMBL363186 |
ZINC   |
Molecular Weight:   | 112.05 |
ALogP:   | -0.1632 |
MLogP:   | 1.9 |
XLogP:   | -0.685 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 34.14 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 8 |