Natural Product: NPC133162 Species Source| Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
|---|
Biological Activity| Activity Type | # Activity |
|---|---|
| AC50 | 6 |
| ED50 | 4 |
| IC50 | 66 |
| Ki | 35 |
| LD50 | 1 |
| Others | 21 |
| Potency | 69 |
| Activity Type | # Activity |
|---|---|
| Cell Line | 2 |
| Individual Protein | 131 |
| Organism | 26 |
| Others | 40 |
| Protein Family | 3 |
| Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
|---|
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
|---|---|---|---|---|---|---|---|---|
| NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 29855.4 | nM | PubChem BioAssay data set | |
| NPT104 | Individual Protein | Cerebroside-sulfatase | Homo sapiens | Potency | 33807.8 | nM | PubChem BioAssay data set | |
| NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
| NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
| NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 12589.25 | nM | PubChem BioAssay data set |
| NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 15848.93 | nM | PubChem BioAssay data set |
| NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | IC50 | = | 2300 | nM | 12502361 |
| NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | IC50 | = | 2600 | nM | 15481972 |
| NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Potency | = | 3162.3 | nM | PubChem BioAssay data set |
| NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
Similar Natural Products in NPASSSimilarity 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 NPC133162 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 | 265 |
| 0.1-0.2 | 1896 |
| 0.2-0.3 | 7939 |
| 0.3-0.4 | 13656 |
| 0.4-0.5 | 5955 |
| 0.5-0.6 | 964 |
| 0.6-0.7 | 151 |
| 0.7-0.8 | 60 |
| 0.8-0.85 | 3 |
| 0.85-0.9 | 0 |
| 0.9-0.95 | 0 |
| 0.95-1 | 0 |
| Similarity Score | Similarity Level | Natural Product ID |
|---|
Similar Clinical/Approved DrugsSimilarity level is defined by Tanimoto coefficient (Tc) between two molecules.
● The left chart: Distribution of similarity level between NPC133162 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
| range | Tanimoto Coefficient |
|---|---|
| 0-0.1 | 216 |
| 0.1-0.2 | 806 |
| 0.2-0.3 | 1181 |
| 0.3-0.4 | 3140 |
| 0.4-0.5 | 2408 |
| 0.5-0.6 | 1030 |
| 0.6-0.7 | 251 |
| 0.7-0.8 | 89 |
| 0.8-0.85 | 26 |
| 0.85-0.9 | 6 |
| 0.9-0.95 | 6 |
| 0.95-1 | 2 |
| Similarity Score | Similarity Level | Drug ID | Developmental Stage |
|---|
| Molecular Weight: | 263.17 |
| ALogP: | -0.1975 |
| MLogP: | 3.44 |
| XLogP: | 8.036 |
| # Rotatable Bonds: | 4 |
| Polar Surface Area: | 12.03 |
| # H-Bond Aceptor: | 1 |
| # H-Bond Donor: | 1 |
| # Rings: | 3 |
| # Heavy Atoms: | 20 |