Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO21208 | Solanum chrysotrichum | Species | Solanaceae | Eukaryota | UNPD* | |||
NPO16870 | Athanasia linifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO24668 | Ophiocoma dentata | Species | Ophiocomidae | Eukaryota | UNPD* | |||
NPO27984 | Achillea moschata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO6635 | Deamia testudo | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO20467 | Macaranga barteri | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO26620 | Pulicaria arabica | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO28743 | Ticorea longiflora | NA | NA | NA | UNPD* | |||
NPO29576 | Canavaliae semen | NA | NA | NA | TCMSP* | |||
NPO24886 | Hedysarum multijugum maxim | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO18585 | Sphaerostephanos arbuscula | Species | Thelypteridaceae | Eukaryota | UNPD* | |||
NPO4545 | Canavalia gladiata | Species | Fabaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT3517 | Individual Protein | Nitric oxide synthase, inducible | Homo sapiens | Ki | = | 220000 | nM | 15993059 |
NPT270 | Individual Protein | Nitric oxide synthase, inducible | Mus musculus | IC50 | = | 60000 | nM | 18485715 |
NPT270 | Individual Protein | Nitric oxide synthase, inducible | Mus musculus | IC50 | = | 60000 | nM | 18930653 |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | Potency | = | 1995.3 | nM | PubChem BioAssay data set |
NPT95 | Individual Protein | Muscarinic acetylcholine receptor M1 | Rattus norvegicus | Potency | = | 31.6 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 6 | nM | PubChem BioAssay data set | |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 15848.93 | nM | PubChem BioAssay data set |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | 1584.9 | nM | PubChem BioAssay data set | |
NPT71 | Cell Line | HEK293 | Homo sapiens | Potency | 651 | nM | PubChem BioAssay data set | |
NPT519 | Cell Line | SH-SY5Y | Homo sapiens | Potency | 3548.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 6510.4 | nM | PubChem BioAssay data set | ||
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 9466.2 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 3548.1 | nM | PubChem BioAssay data set | |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 91.69 | % | 23571415 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 101.56 | % | 23571415 |
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 NPC60672 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 | NPC322091 |
0.8776 | High Similarity | NPC136159 |
0.7885 | Intermediate Similarity | NPC153370 |
0.7308 | Intermediate Similarity | NPC208793 |
0.7308 | Intermediate Similarity | NPC285322 |
0.7213 | Intermediate Similarity | NPC322206 |
0.72 | Intermediate Similarity | NPC326992 |
0.72 | Intermediate Similarity | NPC168375 |
0.72 | Intermediate Similarity | NPC121517 |
0.717 | Intermediate Similarity | NPC309658 |
0.7069 | Intermediate Similarity | NPC327831 |
0.6981 | Remote Similarity | NPC329263 |
0.6923 | Remote Similarity | NPC291186 |
0.6923 | Remote Similarity | NPC167986 |
0.6863 | Remote Similarity | NPC237525 |
0.6863 | Remote Similarity | NPC326212 |
0.6863 | Remote Similarity | NPC66043 |
0.6792 | Remote Similarity | NPC132307 |
0.6792 | Remote Similarity | NPC126925 |
0.6792 | Remote Similarity | NPC325097 |
0.6786 | Remote Similarity | NPC270805 |
0.6786 | Remote Similarity | NPC93888 |
0.678 | Remote Similarity | NPC10915 |
0.6769 | Remote Similarity | NPC327985 |
0.6727 | Remote Similarity | NPC181588 |
0.6721 | Remote Similarity | NPC190385 |
0.6667 | Remote Similarity | NPC118459 |
0.6667 | Remote Similarity | NPC327698 |
0.6607 | Remote Similarity | NPC140872 |
0.6607 | Remote Similarity | NPC93081 |
0.6545 | Remote Similarity | NPC49952 |
0.6545 | Remote Similarity | NPC297220 |
0.6545 | Remote Similarity | NPC136476 |
0.6538 | Remote Similarity | NPC53449 |
0.6491 | Remote Similarity | NPC316231 |
0.6491 | Remote Similarity | NPC324825 |
0.6491 | Remote Similarity | NPC328378 |
0.6491 | Remote Similarity | NPC112890 |
0.6462 | Remote Similarity | NPC103130 |
0.6462 | Remote Similarity | NPC226453 |
0.6452 | Remote Similarity | NPC93861 |
0.6452 | Remote Similarity | NPC327895 |
0.6452 | Remote Similarity | NPC43169 |
0.6452 | Remote Similarity | NPC112224 |
0.6441 | Remote Similarity | NPC197087 |
0.6441 | Remote Similarity | NPC190184 |
0.6441 | Remote Similarity | NPC329495 |
0.6429 | Remote Similarity | NPC316168 |
0.6415 | Remote Similarity | NPC219143 |
0.6415 | Remote Similarity | NPC226265 |
0.6406 | Remote Similarity | NPC118429 |
0.64 | Remote Similarity | NPC116709 |
0.64 | Remote Similarity | NPC21290 |
0.64 | Remote Similarity | NPC272614 |
0.6379 | Remote Similarity | NPC125736 |
0.6364 | Remote Similarity | NPC278881 |
0.6333 | Remote Similarity | NPC321118 |
0.6333 | Remote Similarity | NPC316889 |
0.6316 | Remote Similarity | NPC227850 |
0.6275 | Remote Similarity | NPC63621 |
0.6271 | Remote Similarity | NPC202525 |
0.625 | Remote Similarity | NPC185755 |
0.625 | Remote Similarity | NPC213876 |
0.6212 | Remote Similarity | NPC106216 |
0.6212 | Remote Similarity | NPC88898 |
0.6207 | Remote Similarity | NPC170739 |
0.6207 | Remote Similarity | NPC43204 |
0.6207 | Remote Similarity | NPC84636 |
0.6207 | Remote Similarity | NPC174246 |
0.6207 | Remote Similarity | NPC152451 |
0.6207 | Remote Similarity | NPC62045 |
0.6207 | Remote Similarity | NPC193989 |
0.6207 | Remote Similarity | NPC226027 |
0.6207 | Remote Similarity | NPC245027 |
0.6207 | Remote Similarity | NPC162620 |
0.6182 | Remote Similarity | NPC198301 |
0.6176 | Remote Similarity | NPC118524 |
0.6167 | Remote Similarity | NPC245768 |
0.6154 | Remote Similarity | NPC18188 |
0.6154 | Remote Similarity | NPC273037 |
0.6129 | Remote Similarity | NPC325985 |
0.6129 | Remote Similarity | NPC38463 |
0.6102 | Remote Similarity | NPC137958 |
0.6102 | Remote Similarity | NPC273330 |
0.6102 | Remote Similarity | NPC315977 |
0.6094 | Remote Similarity | NPC320598 |
0.6094 | Remote Similarity | NPC321536 |
0.6034 | Remote Similarity | NPC327542 |
0.6029 | Remote Similarity | NPC325534 |
0.6 | Remote Similarity | NPC133183 |
0.6 | Remote Similarity | NPC68974 |
0.5968 | Remote Similarity | NPC2801 |
0.5942 | Remote Similarity | NPC78312 |
0.5942 | Remote Similarity | NPC221764 |
0.5942 | Remote Similarity | NPC135539 |
0.5942 | Remote Similarity | NPC196359 |
0.5938 | Remote Similarity | NPC176164 |
0.5938 | Remote Similarity | NPC189301 |
0.5932 | Remote Similarity | NPC286989 |
0.5902 | Remote Similarity | NPC317815 |
0.5862 | Remote Similarity | NPC204364 |
0.5857 | Remote Similarity | NPC107224 |
0.5846 | Remote Similarity | NPC317143 |
0.5846 | Remote Similarity | NPC316826 |
0.5846 | Remote Similarity | NPC327748 |
0.5846 | Remote Similarity | NPC254541 |
0.5846 | Remote Similarity | NPC321468 |
0.5833 | Remote Similarity | NPC114990 |
0.5833 | Remote Similarity | NPC328457 |
0.5833 | Remote Similarity | NPC319175 |
0.5818 | Remote Similarity | NPC326808 |
0.5818 | Remote Similarity | NPC110533 |
0.5818 | Remote Similarity | NPC254482 |
0.5818 | Remote Similarity | NPC317691 |
0.5806 | Remote Similarity | NPC183845 |
0.5806 | Remote Similarity | NPC279661 |
0.58 | Remote Similarity | NPC114517 |
0.5781 | Remote Similarity | NPC278209 |
0.5781 | Remote Similarity | NPC317147 |
0.5781 | Remote Similarity | NPC318260 |
0.5769 | Remote Similarity | NPC9294 |
0.5758 | Remote Similarity | NPC327170 |
0.5758 | Remote Similarity | NPC143722 |
0.5758 | Remote Similarity | NPC329564 |
0.5758 | Remote Similarity | NPC321419 |
0.5738 | Remote Similarity | NPC155156 |
0.5738 | Remote Similarity | NPC200550 |
0.5714 | Remote Similarity | NPC107645 |
0.5714 | Remote Similarity | NPC276294 |
0.5714 | Remote Similarity | NPC102815 |
0.5714 | Remote Similarity | NPC322573 |
0.569 | Remote Similarity | NPC198196 |
0.566 | Remote Similarity | NPC69179 |
0.5634 | Remote Similarity | NPC81647 |
0.5634 | Remote Similarity | NPC319046 |
0.5625 | Remote Similarity | NPC313263 |
0.5614 | Remote Similarity | NPC323974 |
0.5606 | Remote Similarity | NPC473599 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC60672 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 |
---|---|---|---|
0.7885 | Intermediate Similarity | NPD8614 | Approved |
0.7308 | Intermediate Similarity | NPD8610 | Approved |
0.6923 | Remote Similarity | NPD8805 | Approved |
0.6923 | Remote Similarity | NPD8804 | Approved |
0.6792 | Remote Similarity | NPD8798 | Approved |
0.6786 | Remote Similarity | NPD8624 | Approved |
0.6731 | Remote Similarity | NPD8609 | Approved |
0.6727 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.6721 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.6607 | Remote Similarity | NPD8808 | Approved |
0.6607 | Remote Similarity | NPD8809 | Approved |
0.6491 | Remote Similarity | NPD9044 | Approved |
0.6462 | Remote Similarity | NPD9048 | Approved |
0.6462 | Remote Similarity | NPD9045 | Approved |
0.6462 | Remote Similarity | NPD9047 | Approved |
0.6462 | Remote Similarity | NPD9046 | Phase 3 |
0.6441 | Remote Similarity | NPD8785 | Approved |
0.6429 | Remote Similarity | NPD8209 | Phase 2 |
0.6429 | Remote Similarity | NPD8208 | Clinical (unspecified phase) |
0.6415 | Remote Similarity | NPD8216 | Approved |
0.6415 | Remote Similarity | NPD8217 | Clinical (unspecified phase) |
0.6406 | Remote Similarity | NPD9014 | Approved |
0.64 | Remote Similarity | NPD8210 | Phase 3 |
0.64 | Remote Similarity | NPD8211 | Approved |
0.625 | Remote Similarity | NPD8801 | Approved |
0.625 | Remote Similarity | NPD8982 | Approved |
0.6207 | Remote Similarity | NPD8802 | Approved |
0.6207 | Remote Similarity | NPD9018 | Approved |
0.6207 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.6207 | Remote Similarity | NPD9021 | Approved |
0.6207 | Remote Similarity | NPD9017 | Approved |
0.6207 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD9232 | Phase 2 |
0.6176 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD9231 | Phase 3 |
0.6176 | Remote Similarity | NPD9233 | Phase 3 |
0.6154 | Remote Similarity | NPD8623 | Phase 1 |
0.6111 | Remote Similarity | NPD366 | Approved |
0.6102 | Remote Similarity | NPD8872 | Phase 3 |
0.6102 | Remote Similarity | NPD8871 | Approved |
0.6102 | Remote Similarity | NPD9025 | Approved |
0.6066 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.6029 | Remote Similarity | NPD8952 | Approved |
0.5942 | Remote Similarity | NPD8868 | Approved |
0.5942 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD9433 | Approved |
0.5902 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.5902 | Remote Similarity | NPD8851 | Phase 1 |
0.5857 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.5857 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.5818 | Remote Similarity | NPD8214 | Approved |
0.5818 | Remote Similarity | NPD8215 | Approved |
0.5763 | Remote Similarity | NPD8873 | Approved |
0.569 | Remote Similarity | NPD9020 | Approved |
0.5634 | Remote Similarity | NPD337 | Discontinued |
0.5625 | Remote Similarity | NPD8980 | Approved |
0.5625 | Remote Similarity | NPD8979 | Approved |
0.5625 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD4829 | Discontinued |
0.5614 | Remote Similarity | NPD9019 | Approved |
PubChem CID   | 46224610;439202 |
ChEMBL   | CHEMBL443732 |
ZINC   |
Molecular Weight:   | 176.09 |
ALogP:   | -2.0468 |
MLogP:   | 1.24 |
XLogP:   | -3.019 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 134.45 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 5 |
# Rings:   | 0 |
# Heavy Atoms:   | 12 |