Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29304 | Pseudosindora palustris | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO29501 | Pinus oocarpa | Species | Pinaceae | Eukaryota | UNPD* | |||
NPO13962 | Corydalis turtschaninovii | Species | Papaveraceae | Eukaryota | UNPD* | |||
NPO29092 | Machilus japonica | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO16292 | Trichosanthes anguina | Species | Cucurbitaceae | Eukaryota | UNPD* | |||
NPO15777 | Didymella pinodes | Species | Didymellaceae | Eukaryota | UNPD* | |||
NPO3251 | Jacobaea maritima | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO29425 | Teucrium africanum | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO29316 | Thalictrum baicalense | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | UNPD* | |||
NPO18060 | Plexaura flava | Species | Plexauridae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2540 | Organism | Balanus amphitrite | Balanus amphitrite | ED50 | = | 0.25 | ug/ml | 10.1021/np9606097 |
NPT3550 | Organism | Halocynthia roretzi | Halocynthia roretzi | ED50 | = | 4.5 | ug/ml | 10.1021/np9606097 |
NPT2 | Others | Unspecified | MIC | = | 13000 | nM | 10.1021/np960516p | |
NPT2 | Others | Unspecified | MIC | > | 200000 | nM | 10.1021/np960516p |
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 NPC157096 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 |
---|---|---|
0.8936 | High Similarity | NPC473768 |
0.875 | High Similarity | NPC93639 |
0.8605 | High Similarity | NPC27444 |
0.8605 | High Similarity | NPC103236 |
0.8605 | High Similarity | NPC329762 |
0.8333 | Intermediate Similarity | NPC471275 |
0.8333 | Intermediate Similarity | NPC302310 |
0.8333 | Intermediate Similarity | NPC153538 |
0.8333 | Intermediate Similarity | NPC471276 |
0.8333 | Intermediate Similarity | NPC471280 |
0.8333 | Intermediate Similarity | NPC125122 |
0.8298 | Intermediate Similarity | NPC124183 |
0.8298 | Intermediate Similarity | NPC35141 |
0.8261 | Intermediate Similarity | NPC101616 |
0.8222 | Intermediate Similarity | NPC149668 |
0.8163 | Intermediate Similarity | NPC471281 |
0.8163 | Intermediate Similarity | NPC72699 |
0.8163 | Intermediate Similarity | NPC477727 |
0.8163 | Intermediate Similarity | NPC199286 |
0.8039 | Intermediate Similarity | NPC26102 |
0.8039 | Intermediate Similarity | NPC477724 |
0.8039 | Intermediate Similarity | NPC187361 |
0.8 | Intermediate Similarity | NPC76198 |
0.8 | Intermediate Similarity | NPC224148 |
0.8 | Intermediate Similarity | NPC197272 |
0.8 | Intermediate Similarity | NPC170776 |
0.8 | Intermediate Similarity | NPC294278 |
0.8 | Intermediate Similarity | NPC256656 |
0.8 | Intermediate Similarity | NPC329608 |
0.8 | Intermediate Similarity | NPC151782 |
0.8 | Intermediate Similarity | NPC165447 |
0.8 | Intermediate Similarity | NPC9273 |
0.8 | Intermediate Similarity | NPC89824 |
0.8 | Intermediate Similarity | NPC475477 |
0.8 | Intermediate Similarity | NPC29234 |
0.8 | Intermediate Similarity | NPC55383 |
0.8 | Intermediate Similarity | NPC477723 |
0.8 | Intermediate Similarity | NPC471959 |
0.7959 | Intermediate Similarity | NPC31194 |
0.7959 | Intermediate Similarity | NPC475153 |
0.7959 | Intermediate Similarity | NPC248884 |
0.7959 | Intermediate Similarity | NPC85079 |
0.7917 | Intermediate Similarity | NPC55063 |
0.7917 | Intermediate Similarity | NPC19834 |
0.7885 | Intermediate Similarity | NPC473532 |
0.7872 | Intermediate Similarity | NPC108195 |
0.78 | Intermediate Similarity | NPC291437 |
0.78 | Intermediate Similarity | NPC473913 |
0.78 | Intermediate Similarity | NPC328784 |
0.78 | Intermediate Similarity | NPC249670 |
0.78 | Intermediate Similarity | NPC474642 |
0.7736 | Intermediate Similarity | NPC477726 |
0.7736 | Intermediate Similarity | NPC475353 |
0.7736 | Intermediate Similarity | NPC473725 |
0.7736 | Intermediate Similarity | NPC473896 |
0.7736 | Intermediate Similarity | NPC473735 |
0.7736 | Intermediate Similarity | NPC477725 |
0.7736 | Intermediate Similarity | NPC473721 |
0.7736 | Intermediate Similarity | NPC473910 |
0.7708 | Intermediate Similarity | NPC276825 |
0.7647 | Intermediate Similarity | NPC59408 |
0.7647 | Intermediate Similarity | NPC71053 |
0.7593 | Intermediate Similarity | NPC475384 |
0.7593 | Intermediate Similarity | NPC470968 |
0.7593 | Intermediate Similarity | NPC477661 |
0.7593 | Intermediate Similarity | NPC470969 |
0.7593 | Intermediate Similarity | NPC473847 |
0.7593 | Intermediate Similarity | NPC471960 |
0.7593 | Intermediate Similarity | NPC470966 |
0.7593 | Intermediate Similarity | NPC470967 |
0.7593 | Intermediate Similarity | NPC161838 |
0.7547 | Intermediate Similarity | NPC48058 |
0.7547 | Intermediate Similarity | NPC110732 |
0.7547 | Intermediate Similarity | NPC256209 |
0.7547 | Intermediate Similarity | NPC49059 |
0.75 | Intermediate Similarity | NPC142092 |
0.7455 | Intermediate Similarity | NPC121034 |
0.7455 | Intermediate Similarity | NPC470970 |
0.7447 | Intermediate Similarity | NPC304151 |
0.7447 | Intermediate Similarity | NPC31121 |
0.7407 | Intermediate Similarity | NPC146551 |
0.7407 | Intermediate Similarity | NPC470963 |
0.7407 | Intermediate Similarity | NPC152668 |
0.7407 | Intermediate Similarity | NPC471239 |
0.7407 | Intermediate Similarity | NPC474513 |
0.7358 | Intermediate Similarity | NPC284224 |
0.7347 | Intermediate Similarity | NPC269074 |
0.7308 | Intermediate Similarity | NPC129263 |
0.7273 | Intermediate Similarity | NPC213767 |
0.7273 | Intermediate Similarity | NPC311648 |
0.7273 | Intermediate Similarity | NPC470964 |
0.7234 | Intermediate Similarity | NPC473625 |
0.72 | Intermediate Similarity | NPC180575 |
0.7193 | Intermediate Similarity | NPC473866 |
0.7143 | Intermediate Similarity | NPC473539 |
0.7143 | Intermediate Similarity | NPC48968 |
0.7143 | Intermediate Similarity | NPC474413 |
0.7143 | Intermediate Similarity | NPC594 |
0.7111 | Intermediate Similarity | NPC216416 |
0.7091 | Intermediate Similarity | NPC474644 |
0.7037 | Intermediate Similarity | NPC475723 |
0.7037 | Intermediate Similarity | NPC34577 |
0.6964 | Remote Similarity | NPC474643 |
0.6964 | Remote Similarity | NPC473865 |
0.6957 | Remote Similarity | NPC34873 |
0.6957 | Remote Similarity | NPC40434 |
0.6949 | Remote Similarity | NPC475984 |
0.6909 | Remote Similarity | NPC300121 |
0.6897 | Remote Similarity | NPC473652 |
0.6852 | Remote Similarity | NPC473705 |
0.6842 | Remote Similarity | NPC265551 |
0.6842 | Remote Similarity | NPC212730 |
0.6842 | Remote Similarity | NPC193975 |
0.6842 | Remote Similarity | NPC323436 |
0.6842 | Remote Similarity | NPC472445 |
0.6833 | Remote Similarity | NPC470965 |
0.6809 | Remote Similarity | NPC306850 |
0.6809 | Remote Similarity | NPC15934 |
0.6792 | Remote Similarity | NPC473487 |
0.6792 | Remote Similarity | NPC20934 |
0.6792 | Remote Similarity | NPC288381 |
0.6786 | Remote Similarity | NPC281590 |
0.6786 | Remote Similarity | NPC227135 |
0.678 | Remote Similarity | NPC471278 |
0.6744 | Remote Similarity | NPC196831 |
0.6739 | Remote Similarity | NPC174396 |
0.6735 | Remote Similarity | NPC206906 |
0.6727 | Remote Similarity | NPC61177 |
0.6667 | Remote Similarity | NPC76976 |
0.6667 | Remote Similarity | NPC474495 |
0.6667 | Remote Similarity | NPC200772 |
0.6667 | Remote Similarity | NPC474362 |
0.6667 | Remote Similarity | NPC473672 |
0.6667 | Remote Similarity | NPC474202 |
0.6667 | Remote Similarity | NPC201948 |
0.6667 | Remote Similarity | NPC168407 |
0.661 | Remote Similarity | NPC222852 |
0.66 | Remote Similarity | NPC116934 |
0.66 | Remote Similarity | NPC252978 |
0.6557 | Remote Similarity | NPC29697 |
0.6552 | Remote Similarity | NPC474577 |
0.6552 | Remote Similarity | NPC52012 |
0.6552 | Remote Similarity | NPC44542 |
0.6545 | Remote Similarity | NPC35756 |
0.65 | Remote Similarity | NPC321919 |
0.65 | Remote Similarity | NPC81896 |
0.6481 | Remote Similarity | NPC225974 |
0.6481 | Remote Similarity | NPC474460 |
0.6444 | Remote Similarity | NPC62779 |
0.6429 | Remote Similarity | NPC217188 |
0.6429 | Remote Similarity | NPC474496 |
0.6415 | Remote Similarity | NPC471958 |
0.64 | Remote Similarity | NPC249801 |
0.64 | Remote Similarity | NPC46248 |
0.6393 | Remote Similarity | NPC321838 |
0.6393 | Remote Similarity | NPC271282 |
0.6393 | Remote Similarity | NPC325929 |
0.6393 | Remote Similarity | NPC66460 |
0.6393 | Remote Similarity | NPC477829 |
0.6346 | Remote Similarity | NPC160628 |
0.6346 | Remote Similarity | NPC140501 |
0.6333 | Remote Similarity | NPC329424 |
0.6333 | Remote Similarity | NPC278202 |
0.6333 | Remote Similarity | NPC322186 |
0.6296 | Remote Similarity | NPC267110 |
0.6296 | Remote Similarity | NPC474445 |
0.6271 | Remote Similarity | NPC471279 |
0.6271 | Remote Similarity | NPC471277 |
0.625 | Remote Similarity | NPC129458 |
0.625 | Remote Similarity | NPC295765 |
0.625 | Remote Similarity | NPC236872 |
0.623 | Remote Similarity | NPC477430 |
0.6222 | Remote Similarity | NPC63121 |
0.6222 | Remote Similarity | NPC197356 |
0.6207 | Remote Similarity | NPC317899 |
0.62 | Remote Similarity | NPC269823 |
0.619 | Remote Similarity | NPC470320 |
0.619 | Remote Similarity | NPC476658 |
0.619 | Remote Similarity | NPC226592 |
0.617 | Remote Similarity | NPC79544 |
0.6167 | Remote Similarity | NPC181872 |
0.6167 | Remote Similarity | NPC469373 |
0.6154 | Remote Similarity | NPC267514 |
0.6154 | Remote Similarity | NPC473752 |
0.6154 | Remote Similarity | NPC138935 |
0.6154 | Remote Similarity | NPC145755 |
0.614 | Remote Similarity | NPC10081 |
0.614 | Remote Similarity | NPC225066 |
0.614 | Remote Similarity | NPC475560 |
0.6129 | Remote Similarity | NPC64971 |
0.6122 | Remote Similarity | NPC103213 |
0.6122 | Remote Similarity | NPC182840 |
0.6122 | Remote Similarity | NPC255042 |
0.6122 | Remote Similarity | NPC29091 |
0.6102 | Remote Similarity | NPC472808 |
0.6102 | Remote Similarity | NPC327388 |
0.6102 | Remote Similarity | NPC324224 |
0.6094 | Remote Similarity | NPC176215 |
0.6094 | Remote Similarity | NPC476654 |
0.6094 | Remote Similarity | NPC296436 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC157096 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 |
---|---|---|---|
0.6346 | Remote Similarity | NPD4265 | Approved |
0.619 | Remote Similarity | NPD3197 | Phase 1 |
0.6167 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD6109 | Phase 1 |
0.6038 | Remote Similarity | NPD39 | Approved |
0.5968 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5781 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD4222 | Approved |
0.5714 | Remote Similarity | NPD3173 | Approved |
0.5667 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD5326 | Phase 3 |
PubChem CID   | 11151732 |
ChEMBL   | CHEMBL464329 |
ZINC   |
Molecular Weight:   | 332.18 |
ALogP:   | 2.8747 |
MLogP:   | 3.77 |
XLogP:   | 6.37 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 40.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 25 |