Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT442 | Individual Protein | Ferritin light chain | Equus caballus | Potency | = | 1258.9 | nM | PubChem BioAssay data set |
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 14125.4 | nM | PubChem BioAssay data set |
NPT282 | Individual Protein | MAP kinase ERK2 | Homo sapiens | Potency | = | 199.5 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 5011.9 | 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 NPC306238 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 |
---|---|---|
1.0 | High Similarity | NPC248970 |
0.8333 | Intermediate Similarity | NPC319175 |
0.75 | Intermediate Similarity | NPC136476 |
0.75 | Intermediate Similarity | NPC49952 |
0.75 | Intermediate Similarity | NPC297220 |
0.7391 | Intermediate Similarity | NPC110533 |
0.7391 | Intermediate Similarity | NPC254482 |
0.7391 | Intermediate Similarity | NPC317691 |
0.7391 | Intermediate Similarity | NPC326808 |
0.7347 | Intermediate Similarity | NPC204364 |
0.7333 | Intermediate Similarity | NPC327250 |
0.7321 | Intermediate Similarity | NPC321419 |
0.72 | Intermediate Similarity | NPC227850 |
0.7143 | Intermediate Similarity | NPC260324 |
0.7143 | Intermediate Similarity | NPC213876 |
0.7143 | Intermediate Similarity | NPC185755 |
0.7059 | Intermediate Similarity | NPC193989 |
0.7059 | Intermediate Similarity | NPC170739 |
0.7059 | Intermediate Similarity | NPC152451 |
0.7059 | Intermediate Similarity | NPC328378 |
0.6949 | Remote Similarity | NPC289691 |
0.6939 | Remote Similarity | NPC191136 |
0.6833 | Remote Similarity | NPC325597 |
0.6833 | Remote Similarity | NPC174304 |
0.6792 | Remote Similarity | NPC322946 |
0.6667 | Remote Similarity | NPC317815 |
0.6667 | Remote Similarity | NPC263065 |
0.6667 | Remote Similarity | NPC189178 |
0.6604 | Remote Similarity | NPC114990 |
0.6604 | Remote Similarity | NPC125736 |
0.6545 | Remote Similarity | NPC321118 |
0.6545 | Remote Similarity | NPC316889 |
0.6522 | Remote Similarity | NPC69179 |
0.6471 | Remote Similarity | NPC228932 |
0.6471 | Remote Similarity | NPC198196 |
0.6458 | Remote Similarity | NPC121517 |
0.6458 | Remote Similarity | NPC53449 |
0.6458 | Remote Similarity | NPC168375 |
0.6458 | Remote Similarity | NPC326992 |
0.6429 | Remote Similarity | NPC102815 |
0.6429 | Remote Similarity | NPC322573 |
0.64 | Remote Similarity | NPC198301 |
0.6364 | Remote Similarity | NPC315897 |
0.6364 | Remote Similarity | NPC329495 |
0.6346 | Remote Similarity | NPC118187 |
0.6316 | Remote Similarity | NPC38463 |
0.6304 | Remote Similarity | NPC21290 |
0.6304 | Remote Similarity | NPC116709 |
0.6304 | Remote Similarity | NPC272614 |
0.6296 | Remote Similarity | NPC327239 |
0.625 | Remote Similarity | NPC145235 |
0.625 | Remote Similarity | NPC319046 |
0.6226 | Remote Similarity | NPC318523 |
0.6226 | Remote Similarity | NPC153370 |
0.6207 | Remote Similarity | NPC283786 |
0.6207 | Remote Similarity | NPC318260 |
0.6207 | Remote Similarity | NPC317147 |
0.62 | Remote Similarity | NPC167986 |
0.62 | Remote Similarity | NPC291186 |
0.6182 | Remote Similarity | NPC19576 |
0.6182 | Remote Similarity | NPC29950 |
0.617 | Remote Similarity | NPC25237 |
0.6154 | Remote Similarity | NPC126779 |
0.614 | Remote Similarity | NPC327831 |
0.6102 | Remote Similarity | NPC176164 |
0.6102 | Remote Similarity | NPC189301 |
0.6078 | Remote Similarity | NPC325097 |
0.6078 | Remote Similarity | NPC132307 |
0.6078 | Remote Similarity | NPC126925 |
0.6034 | Remote Similarity | NPC325985 |
0.6034 | Remote Similarity | NPC313263 |
0.6 | Remote Similarity | NPC14778 |
0.6 | Remote Similarity | NPC254541 |
0.6 | Remote Similarity | NPC321468 |
0.6 | Remote Similarity | NPC473599 |
0.6 | Remote Similarity | NPC319110 |
0.6 | Remote Similarity | NPC316826 |
0.6 | Remote Similarity | NPC329181 |
0.6 | Remote Similarity | NPC317143 |
0.6 | Remote Similarity | NPC327748 |
0.5962 | Remote Similarity | NPC327698 |
0.5962 | Remote Similarity | NPC118459 |
0.5957 | Remote Similarity | NPC9294 |
0.5952 | Remote Similarity | NPC320704 |
0.5932 | Remote Similarity | NPC82239 |
0.5909 | Remote Similarity | NPC16947 |
0.5902 | Remote Similarity | NPC329564 |
0.5902 | Remote Similarity | NPC327170 |
0.5833 | Remote Similarity | NPC63621 |
0.5806 | Remote Similarity | NPC477644 |
0.58 | Remote Similarity | NPC66043 |
0.58 | Remote Similarity | NPC237525 |
0.58 | Remote Similarity | NPC326212 |
0.5789 | Remote Similarity | NPC190184 |
0.5789 | Remote Similarity | NPC197087 |
0.5769 | Remote Similarity | NPC43264 |
0.5741 | Remote Similarity | NPC282097 |
0.5738 | Remote Similarity | NPC321536 |
0.5738 | Remote Similarity | NPC320598 |
0.5714 | Remote Similarity | NPC327252 |
0.566 | Remote Similarity | NPC329263 |
0.5645 | Remote Similarity | NPC143722 |
0.5625 | Remote Similarity | NPC145658 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC306238 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 |
---|---|---|---|
1.0 | High Similarity | NPD8870 | Approved |
0.9111 | High Similarity | NPD9213 | Approved |
0.9111 | High Similarity | NPD9214 | Phase 3 |
0.907 | High Similarity | NPD8869 | Approved |
0.8723 | High Similarity | NPD329 | Discontinued |
0.8 | Intermediate Similarity | NPD9420 | Clinical (unspecified phase) |
0.7551 | Intermediate Similarity | NPD8577 | Discontinued |
0.7391 | Intermediate Similarity | NPD8215 | Approved |
0.7391 | Intermediate Similarity | NPD8214 | Approved |
0.7308 | Intermediate Similarity | NPD9386 | Approved |
0.7143 | Intermediate Similarity | NPD8801 | Approved |
0.7143 | Intermediate Similarity | NPD8982 | Approved |
0.7059 | Intermediate Similarity | NPD8802 | Approved |
0.7059 | Intermediate Similarity | NPD9021 | Approved |
0.7059 | Intermediate Similarity | NPD8803 | Clinical (unspecified phase) |
0.6949 | Remote Similarity | NPD364 | Discontinued |
0.6863 | Remote Similarity | NPD8873 | Approved |
0.6833 | Remote Similarity | NPD348 | Approved |
0.6792 | Remote Similarity | NPD9441 | Phase 2 |
0.6667 | Remote Similarity | NPD9204 | Approved |
0.6667 | Remote Similarity | NPD9205 | Approved |
0.6613 | Remote Similarity | NPD886 | Clinical (unspecified phase) |
0.6604 | Remote Similarity | NPD9025 | Approved |
0.6545 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD9020 | Approved |
0.6406 | Remote Similarity | NPD1815 | Discontinued |
0.6364 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD8211 | Approved |
0.6304 | Remote Similarity | NPD8210 | Phase 3 |
0.625 | Remote Similarity | NPD337 | Discontinued |
0.625 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4241 | Registered |
0.6226 | Remote Similarity | NPD8614 | Approved |
0.6212 | Remote Similarity | NPD2262 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD8805 | Approved |
0.62 | Remote Similarity | NPD8804 | Approved |
0.6182 | Remote Similarity | NPD61 | Approved |
0.6182 | Remote Similarity | NPD8846 | Approved |
0.6182 | Remote Similarity | NPD8847 | Approved |
0.6154 | Remote Similarity | NPD4242 | Approved |
0.6122 | Remote Similarity | NPD58 | Approved |
0.6122 | Remote Similarity | NPD8806 | Approved |
0.6102 | Remote Similarity | NPD9433 | Approved |
0.6078 | Remote Similarity | NPD8798 | Approved |
0.5962 | Remote Similarity | NPD9658 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD8800 | Approved |
0.5833 | Remote Similarity | NPD8848 | Approved |
0.5806 | Remote Similarity | NPD574 | Approved |
0.5789 | Remote Similarity | NPD8785 | Approved |
0.5714 | Remote Similarity | NPD575 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD397 | Phase 2 |
PubChem CID   | 94364 |
ChEMBL   | CHEMBL507900 |
ZINC   |
Molecular Weight:   | 163.03 |
ALogP:   | 0.054 |
MLogP:   | 1.46 |
XLogP:   | 0.047 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 108.69 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 10 |