Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO19812 | Pimelea simplex | Species | Thymelaeaceae | Eukaryota | UNPD* | |||
NPO16902 | Dendroctonus brevicomis | Species | Curculionidae | Eukaryota | UNPD* | |||
NPO11741 | Glycosmis parviflora | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO19611 | Ipomoea tuberosa | Species | Convolvulaceae | Eukaryota | UNPD* | |||
NPO18651 | Piper lolot | Species | Piperaceae | Eukaryota | UNPD* | |||
NPO19551 | Cocculus pendulus | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO14131 | Phyllanthus maderaspatensis | Species | Phyllanthaceae | Eukaryota | UNPD* | |||
NPO12352 | Magnolia baillonii | Species | Magnoliaceae | Eukaryota | UNPD* | |||
NPO13189 | Carex folliculata | Species | Cyperaceae | Eukaryota | UNPD* | |||
NPO17984 | Aplysia angasi | Species | Aplysiidae | Eukaryota | UNPD* | |||
NPO10921 | Cercospora ligustri | Species | Mycosphaerellaceae | Eukaryota | UNPD* | |||
NPO18223 | Dictyostelium brefeldianum | Species | NA | Eukaryota | UNPD* | |||
NPO18898 | Madhuca utilis | Species | Sapotaceae | Eukaryota | UNPD* | |||
NPO19146 | Cosmos bipinnatus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO19681 | Hypoxis filiformis | Species | Hypoxidaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1452 | Cell Line | C8166 | Homo sapiens | ED50 | > | 0.2 | nM | 10.1016/S0960-894X(00)80316-9 |
NPT1452 | Cell Line | C8166 | Homo sapiens | TD50 | > | 0.2 | nM | 10.1016/S0960-894X(00)80316-9 |
NPT907 | Individual Protein | Ribonuclease pancreatic | Homo sapiens | Inhibition | = | 38 | % | 18226913 |
NPT907 | Individual Protein | Ribonuclease pancreatic | Homo sapiens | IC50 | = | 197000 | nM | 18226913 |
NPT907 | Individual Protein | Ribonuclease pancreatic | Homo sapiens | Ki | = | 42000 | nM | 18226913 |
NPT2 | Others | Unspecified | Ki | = | 58000 | nM | 214555 |
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 NPC171116 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 |
---|---|---|
0.939 | High Similarity | NPC112842 |
0.939 | High Similarity | NPC71339 |
0.9059 | High Similarity | NPC210456 |
0.9059 | High Similarity | NPC163352 |
0.8667 | High Similarity | NPC318166 |
0.8667 | High Similarity | NPC324516 |
0.8652 | High Similarity | NPC327344 |
0.8372 | Intermediate Similarity | NPC106780 |
0.809 | Intermediate Similarity | NPC43246 |
0.809 | Intermediate Similarity | NPC89051 |
0.8 | Intermediate Similarity | NPC325902 |
0.7742 | Intermediate Similarity | NPC324390 |
0.766 | Intermediate Similarity | NPC322594 |
0.766 | Intermediate Similarity | NPC320249 |
0.75 | Intermediate Similarity | NPC17892 |
0.75 | Intermediate Similarity | NPC36985 |
0.7471 | Intermediate Similarity | NPC329077 |
0.7447 | Intermediate Similarity | NPC315063 |
0.7423 | Intermediate Similarity | NPC317639 |
0.7423 | Intermediate Similarity | NPC283698 |
0.7423 | Intermediate Similarity | NPC73765 |
0.7391 | Intermediate Similarity | NPC325723 |
0.734 | Intermediate Similarity | NPC328806 |
0.7065 | Intermediate Similarity | NPC319753 |
0.6916 | Remote Similarity | NPC155087 |
0.6916 | Remote Similarity | NPC149843 |
0.6887 | Remote Similarity | NPC329277 |
0.681 | Remote Similarity | NPC325750 |
0.6737 | Remote Similarity | NPC229249 |
0.6735 | Remote Similarity | NPC109188 |
0.6667 | Remote Similarity | NPC478024 |
0.6531 | Remote Similarity | NPC190334 |
0.6531 | Remote Similarity | NPC62927 |
0.6471 | Remote Similarity | NPC284651 |
0.6374 | Remote Similarity | NPC315806 |
0.6311 | Remote Similarity | NPC329384 |
0.6281 | Remote Similarity | NPC315058 |
0.6168 | Remote Similarity | NPC328914 |
0.6132 | Remote Similarity | NPC328779 |
0.6129 | Remote Similarity | NPC313962 |
0.6095 | Remote Similarity | NPC226769 |
0.6095 | Remote Similarity | NPC280946 |
0.6095 | Remote Similarity | NPC6166 |
0.6042 | Remote Similarity | NPC316123 |
0.6038 | Remote Similarity | NPC90240 |
0.6038 | Remote Similarity | NPC120887 |
0.5691 | Remote Similarity | NPC245534 |
0.5684 | Remote Similarity | NPC126186 |
0.56 | Remote Similarity | NPC470783 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC171116 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 |
---|---|---|---|
0.939 | High Similarity | NPD280 | Approved |
0.9167 | High Similarity | NPD240 | Phase 3 |
0.907 | High Similarity | NPD841 | Approved |
0.8929 | High Similarity | NPD238 | Clinical (unspecified phase) |
0.8929 | High Similarity | NPD239 | Phase 2 |
0.8721 | High Similarity | NPD170 | Approved |
0.8636 | High Similarity | NPD755 | Phase 3 |
0.8571 | High Similarity | NPD9556 | Approved |
0.8471 | Intermediate Similarity | NPD9561 | Approved |
0.8471 | Intermediate Similarity | NPD9560 | Approved |
0.8444 | Intermediate Similarity | NPD251 | Approved |
0.8372 | Intermediate Similarity | NPD9546 | Phase 2 |
0.8276 | Intermediate Similarity | NPD9533 | Phase 2 |
0.8261 | Intermediate Similarity | NPD501 | Phase 1 |
0.8182 | Intermediate Similarity | NPD9557 | Clinical (unspecified phase) |
0.8161 | Intermediate Similarity | NPD9559 | Phase 1 |
0.8152 | Intermediate Similarity | NPD1686 | Approved |
0.814 | Intermediate Similarity | NPD9558 | Phase 3 |
0.809 | Intermediate Similarity | NPD9580 | Clinical (unspecified phase) |
0.809 | Intermediate Similarity | NPD9581 | Clinical (unspecified phase) |
0.809 | Intermediate Similarity | NPD9562 | Discovery |
0.8 | Intermediate Similarity | NPD502 | Approved |
0.7955 | Intermediate Similarity | NPD9529 | Phase 1 |
0.79 | Intermediate Similarity | NPD1385 | Discontinued |
0.7609 | Intermediate Similarity | NPD1760 | Approved |
0.7609 | Intermediate Similarity | NPD241 | Discontinued |
0.7553 | Intermediate Similarity | NPD9565 | Discontinued |
0.7551 | Intermediate Similarity | NPD5789 | Clinical (unspecified phase) |
0.7423 | Intermediate Similarity | NPD9639 | Clinical (unspecified phase) |
0.7347 | Intermediate Similarity | NPD762 | Discontinued |
0.7087 | Intermediate Similarity | NPD1061 | Clinical (unspecified phase) |
0.701 | Intermediate Similarity | NPD500 | Discontinued |
0.697 | Remote Similarity | NPD1706 | Clinical (unspecified phase) |
0.6887 | Remote Similarity | NPD3129 | Phase 3 |
0.6882 | Remote Similarity | NPD9573 | Phase 2 |
0.6796 | Remote Similarity | NPD223 | Clinical (unspecified phase) |
0.6792 | Remote Similarity | NPD3128 | Phase 3 |
0.6768 | Remote Similarity | NPD285 | Discontinued |
0.6737 | Remote Similarity | NPD9601 | Approved |
0.6737 | Remote Similarity | NPD205 | Approved |
0.6735 | Remote Similarity | NPD1331 | Approved |
0.6729 | Remote Similarity | NPD1428 | Phase 2 |
0.6702 | Remote Similarity | NPD2691 | Clinical (unspecified phase) |
0.6699 | Remote Similarity | NPD3121 | Phase 2 |
0.6699 | Remote Similarity | NPD192 | Phase 2 |
0.6667 | Remote Similarity | NPD7756 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD9555 | Phase 2 |
0.6667 | Remote Similarity | NPD267 | Discontinued |
0.6667 | Remote Similarity | NPD9503 | Approved |
0.6667 | Remote Similarity | NPD7914 | Suspended |
0.6667 | Remote Similarity | NPD9504 | Approved |
0.66 | Remote Similarity | NPD6943 | Clinical (unspecified phase) |
0.6579 | Remote Similarity | NPD7992 | Clinical (unspecified phase) |
0.6542 | Remote Similarity | NPD2633 | Phase 1 |
0.6531 | Remote Similarity | NPD9604 | Approved |
0.6531 | Remote Similarity | NPD9603 | Phase 3 |
0.6531 | Remote Similarity | NPD9602 | Phase 3 |
0.6509 | Remote Similarity | NPD7651 | Approved |
0.6486 | Remote Similarity | NPD1805 | Phase 2 |
0.6486 | Remote Similarity | NPD1804 | Phase 2 |
0.6476 | Remote Similarity | NPD765 | Discontinued |
0.6465 | Remote Similarity | NPD301 | Discontinued |
0.6465 | Remote Similarity | NPD9553 | Approved |
0.6465 | Remote Similarity | NPD9554 | Approved |
0.6421 | Remote Similarity | NPD9600 | Approved |
0.6389 | Remote Similarity | NPD4743 | Phase 2 |
0.6374 | Remote Similarity | NPD9653 | Clinical (unspecified phase) |
0.6373 | Remote Similarity | NPD279 | Clinical (unspecified phase) |
0.6348 | Remote Similarity | NPD3139 | Phase 3 |
0.6311 | Remote Similarity | NPD215 | Discontinued |
0.6306 | Remote Similarity | NPD6693 | Phase 3 |
0.63 | Remote Similarity | NPD723 | Phase 2 |
0.6289 | Remote Similarity | NPD9572 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD9585 | Discontinued |
0.6264 | Remote Similarity | NPD9405 | Approved |
0.6261 | Remote Similarity | NPD3138 | Phase 3 |
0.619 | Remote Similarity | NPD514 | Clinical (unspecified phase) |
0.6168 | Remote Similarity | NPD1454 | Phase 3 |
0.6168 | Remote Similarity | NPD1455 | Phase 3 |
0.6154 | Remote Similarity | NPD6936 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD6935 | Phase 3 |
0.6146 | Remote Similarity | NPD9429 | Discontinued |
0.6102 | Remote Similarity | NPD6918 | Phase 1 |
0.6064 | Remote Similarity | NPD9407 | Approved |
0.5893 | Remote Similarity | NPD6946 | Approved |
0.5888 | Remote Similarity | NPD2621 | Clinical (unspecified phase) |
0.5672 | Remote Similarity | NPD7761 | Suspended |
0.5644 | Remote Similarity | NPD882 | Phase 2 |
0.5644 | Remote Similarity | NPD883 | Phase 2 |
PubChem CID   | 464365 |
ChEMBL   | CHEMBL266234 |
ZINC   |
Molecular Weight:   | 284.10 |
ALogP:   | -1.3916 |
MLogP:   | 1.9 |
XLogP:   | -0.689 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 108.66 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 20 |