Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO2837 | Aloe spicata | Species | Asphodelaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 65678.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 2330.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 207.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 58536.2 | nM | PubChem BioAssay data set |
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 NPC87529 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 |
---|---|---|
0.913 | High Similarity | NPC94144 |
0.9091 | High Similarity | NPC88839 |
0.8333 | Intermediate Similarity | NPC23071 |
0.8333 | Intermediate Similarity | NPC256186 |
0.8261 | Intermediate Similarity | NPC110344 |
0.8182 | Intermediate Similarity | NPC236761 |
0.8 | Intermediate Similarity | NPC190797 |
0.8 | Intermediate Similarity | NPC88887 |
0.7826 | Intermediate Similarity | NPC294703 |
0.7727 | Intermediate Similarity | NPC311000 |
0.75 | Intermediate Similarity | NPC299484 |
0.75 | Intermediate Similarity | NPC219266 |
0.7407 | Intermediate Similarity | NPC39869 |
0.7407 | Intermediate Similarity | NPC276332 |
0.7308 | Intermediate Similarity | NPC140389 |
0.72 | Intermediate Similarity | NPC39977 |
0.72 | Intermediate Similarity | NPC52403 |
0.7143 | Intermediate Similarity | NPC52362 |
0.6923 | Remote Similarity | NPC157340 |
0.6923 | Remote Similarity | NPC199270 |
0.6923 | Remote Similarity | NPC114270 |
0.6923 | Remote Similarity | NPC245688 |
0.6786 | Remote Similarity | NPC320326 |
0.6667 | Remote Similarity | NPC275462 |
0.6667 | Remote Similarity | NPC163707 |
0.6667 | Remote Similarity | NPC232554 |
0.6667 | Remote Similarity | NPC213764 |
0.6667 | Remote Similarity | NPC304786 |
0.6552 | Remote Similarity | NPC33415 |
0.6552 | Remote Similarity | NPC301586 |
0.6452 | Remote Similarity | NPC313303 |
0.6429 | Remote Similarity | NPC230726 |
0.6429 | Remote Similarity | NPC128335 |
0.6429 | Remote Similarity | NPC560 |
0.64 | Remote Similarity | NPC106054 |
0.6364 | Remote Similarity | NPC2724 |
0.6364 | Remote Similarity | NPC316685 |
0.6333 | Remote Similarity | NPC270334 |
0.6296 | Remote Similarity | NPC318912 |
0.6296 | Remote Similarity | NPC84750 |
0.6296 | Remote Similarity | NPC237965 |
0.625 | Remote Similarity | NPC152773 |
0.6207 | Remote Similarity | NPC272307 |
0.6129 | Remote Similarity | NPC28077 |
0.6071 | Remote Similarity | NPC82694 |
0.6061 | Remote Similarity | NPC283682 |
0.6 | Remote Similarity | NPC238135 |
0.6 | Remote Similarity | NPC159845 |
0.6 | Remote Similarity | NPC261397 |
0.6 | Remote Similarity | NPC279895 |
0.5938 | Remote Similarity | NPC127074 |
0.5938 | Remote Similarity | NPC197207 |
0.5938 | Remote Similarity | NPC187058 |
0.5938 | Remote Similarity | NPC149070 |
0.5938 | Remote Similarity | NPC182541 |
0.5926 | Remote Similarity | NPC133819 |
0.5882 | Remote Similarity | NPC191084 |
0.5882 | Remote Similarity | NPC250870 |
0.5882 | Remote Similarity | NPC168052 |
0.5862 | Remote Similarity | NPC201132 |
0.5862 | Remote Similarity | NPC190117 |
0.5862 | Remote Similarity | NPC252154 |
0.5862 | Remote Similarity | NPC314668 |
0.5862 | Remote Similarity | NPC317724 |
0.5833 | Remote Similarity | NPC149567 |
0.5806 | Remote Similarity | NPC110884 |
0.5806 | Remote Similarity | NPC327718 |
0.5806 | Remote Similarity | NPC104195 |
0.5806 | Remote Similarity | NPC61066 |
0.5806 | Remote Similarity | NPC122768 |
0.5806 | Remote Similarity | NPC151140 |
0.5714 | Remote Similarity | NPC313405 |
0.5714 | Remote Similarity | NPC61665 |
0.5676 | Remote Similarity | NPC316217 |
0.5676 | Remote Similarity | NPC222792 |
0.5667 | Remote Similarity | NPC324353 |
0.5625 | Remote Similarity | NPC242117 |
0.5625 | Remote Similarity | NPC198126 |
0.5625 | Remote Similarity | NPC236797 |
0.5625 | Remote Similarity | NPC24506 |
0.5625 | Remote Similarity | NPC241404 |
0.5625 | Remote Similarity | NPC185041 |
0.5625 | Remote Similarity | NPC163556 |
0.5625 | Remote Similarity | NPC147096 |
0.5625 | Remote Similarity | NPC225783 |
0.5625 | Remote Similarity | NPC112242 |
0.56 | Remote Similarity | NPC34153 |
0.56 | Remote Similarity | NPC328688 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC87529 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 |
---|---|---|---|
0.7727 | Intermediate Similarity | NPD8223 | Approved |
0.6923 | Remote Similarity | NPD8225 | Phase 3 |
0.6923 | Remote Similarity | NPD8226 | Approved |
0.6667 | Remote Similarity | NPD8224 | Approved |
0.6552 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.6452 | Remote Similarity | NPD8558 | Approved |
0.6452 | Remote Similarity | NPD8557 | Approved |
0.6071 | Remote Similarity | NPD8207 | Approved |
0.5938 | Remote Similarity | NPD8814 | Phase 3 |
0.5882 | Remote Similarity | NPD9112 | Discontinued |
0.5862 | Remote Similarity | NPD57 | Approved |
0.5833 | Remote Similarity | NPD7374 | Approved |
0.5625 | Remote Similarity | NPD8618 | Approved |
PubChem CID   | 75103 |
ChEMBL   | CHEMBL3183047 |
ZINC   |
Molecular Weight:   | 90.07 |
ALogP:   | -0.764 |
MLogP:   | 1.68 |
XLogP:   | -0.553 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 40.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 6 |