Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO7657 | Plectranthus ornatus | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO8424 | Juniperus foetidissima | Species | Cupressaceae | Eukaryota | UNPD* | |||
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO24555 | Coleogyne ramosissima | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO23815 | Isolona campanulata | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO4982 | Notholirion bulbuliferum | Species | Liliaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1652 | Individual Protein | Serum paraoxonase/arylesterase 1 | Homo sapiens | Activity | = | 67.1 | umol/min/mg | 18572410 |
NPT947 | Individual Protein | Carbonic anhydrase I | Homo sapiens | Ki | = | 9600 | nM | 22137345 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Ki | > | 100000 | nM | 22137345 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Ki | = | 3660 | nM | 22137345 |
NPT2 | Others | Unspecified | Potency | 54941 | 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 NPC99700 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 |
---|---|---|
0.8182 | Intermediate Similarity | NPC286695 |
0.7879 | Intermediate Similarity | NPC12904 |
0.7742 | Intermediate Similarity | NPC143211 |
0.7742 | Intermediate Similarity | NPC248233 |
0.7714 | Intermediate Similarity | NPC289344 |
0.75 | Intermediate Similarity | NPC321699 |
0.75 | Intermediate Similarity | NPC80396 |
0.75 | Intermediate Similarity | NPC154642 |
0.7429 | Intermediate Similarity | NPC154396 |
0.7419 | Intermediate Similarity | NPC166804 |
0.7143 | Intermediate Similarity | NPC133771 |
0.7143 | Intermediate Similarity | NPC322892 |
0.7097 | Intermediate Similarity | NPC3693 |
0.7097 | Intermediate Similarity | NPC41485 |
0.7097 | Intermediate Similarity | NPC28246 |
0.7097 | Intermediate Similarity | NPC32280 |
0.7059 | Intermediate Similarity | NPC21374 |
0.7027 | Intermediate Similarity | NPC80641 |
0.6977 | Remote Similarity | NPC326957 |
0.697 | Remote Similarity | NPC234005 |
0.6944 | Remote Similarity | NPC57499 |
0.6923 | Remote Similarity | NPC81263 |
0.6923 | Remote Similarity | NPC80234 |
0.6923 | Remote Similarity | NPC94368 |
0.6923 | Remote Similarity | NPC223249 |
0.6857 | Remote Similarity | NPC40965 |
0.6842 | Remote Similarity | NPC206924 |
0.6842 | Remote Similarity | NPC14608 |
0.6774 | Remote Similarity | NPC110107 |
0.6765 | Remote Similarity | NPC174368 |
0.6757 | Remote Similarity | NPC317203 |
0.6757 | Remote Similarity | NPC155872 |
0.675 | Remote Similarity | NPC165533 |
0.675 | Remote Similarity | NPC149299 |
0.675 | Remote Similarity | NPC250028 |
0.675 | Remote Similarity | NPC256163 |
0.675 | Remote Similarity | NPC40597 |
0.6667 | Remote Similarity | NPC168714 |
0.6667 | Remote Similarity | NPC41007 |
0.6667 | Remote Similarity | NPC108238 |
0.6667 | Remote Similarity | NPC125575 |
0.6667 | Remote Similarity | NPC178643 |
0.6667 | Remote Similarity | NPC35371 |
0.6585 | Remote Similarity | NPC53541 |
0.6486 | Remote Similarity | NPC286498 |
0.6471 | Remote Similarity | NPC317739 |
0.6471 | Remote Similarity | NPC281943 |
0.6452 | Remote Similarity | NPC8187 |
0.6452 | Remote Similarity | NPC23508 |
0.6452 | Remote Similarity | NPC203105 |
0.6429 | Remote Similarity | NPC203531 |
0.6429 | Remote Similarity | NPC176500 |
0.6429 | Remote Similarity | NPC236579 |
0.6364 | Remote Similarity | NPC127134 |
0.6364 | Remote Similarity | NPC201132 |
0.6316 | Remote Similarity | NPC196442 |
0.6316 | Remote Similarity | NPC223374 |
0.6316 | Remote Similarity | NPC86545 |
0.6316 | Remote Similarity | NPC301398 |
0.6286 | Remote Similarity | NPC180423 |
0.6286 | Remote Similarity | NPC248139 |
0.6286 | Remote Similarity | NPC127696 |
0.625 | Remote Similarity | NPC305660 |
0.625 | Remote Similarity | NPC22903 |
0.625 | Remote Similarity | NPC54980 |
0.625 | Remote Similarity | NPC201622 |
0.6216 | Remote Similarity | NPC175342 |
0.6216 | Remote Similarity | NPC328710 |
0.6216 | Remote Similarity | NPC18224 |
0.6216 | Remote Similarity | NPC217218 |
0.6176 | Remote Similarity | NPC283626 |
0.6136 | Remote Similarity | NPC273545 |
0.6136 | Remote Similarity | NPC287231 |
0.6136 | Remote Similarity | NPC47363 |
0.6111 | Remote Similarity | NPC5934 |
0.6111 | Remote Similarity | NPC198126 |
0.6111 | Remote Similarity | NPC265882 |
0.6111 | Remote Similarity | NPC302611 |
0.6098 | Remote Similarity | NPC31551 |
0.6098 | Remote Similarity | NPC219536 |
0.6053 | Remote Similarity | NPC127142 |
0.6053 | Remote Similarity | NPC7814 |
0.6 | Remote Similarity | NPC128996 |
0.6 | Remote Similarity | NPC308301 |
0.6 | Remote Similarity | NPC172042 |
0.6 | Remote Similarity | NPC63182 |
0.6 | Remote Similarity | NPC105329 |
0.6 | Remote Similarity | NPC145045 |
0.6 | Remote Similarity | NPC88135 |
0.6 | Remote Similarity | NPC282440 |
0.6 | Remote Similarity | NPC159398 |
0.6 | Remote Similarity | NPC52700 |
0.5957 | Remote Similarity | NPC46254 |
0.5952 | Remote Similarity | NPC161097 |
0.5952 | Remote Similarity | NPC28598 |
0.5952 | Remote Similarity | NPC12156 |
0.5897 | Remote Similarity | NPC156630 |
0.5882 | Remote Similarity | NPC211250 |
0.5882 | Remote Similarity | NPC149209 |
0.587 | Remote Similarity | NPC249754 |
0.5854 | Remote Similarity | NPC325454 |
0.5854 | Remote Similarity | NPC316546 |
0.5778 | Remote Similarity | NPC38891 |
0.5778 | Remote Similarity | NPC242655 |
0.5758 | Remote Similarity | NPC164646 |
0.5758 | Remote Similarity | NPC8368 |
0.575 | Remote Similarity | NPC155263 |
0.575 | Remote Similarity | NPC134782 |
0.5682 | Remote Similarity | NPC325102 |
0.566 | Remote Similarity | NPC220922 |
0.5652 | Remote Similarity | NPC12438 |
0.5652 | Remote Similarity | NPC30195 |
0.5641 | Remote Similarity | NPC140229 |
0.5625 | Remote Similarity | NPC163345 |
0.5625 | Remote Similarity | NPC250919 |
0.5625 | Remote Similarity | NPC26253 |
0.561 | Remote Similarity | NPC158179 |
0.561 | Remote Similarity | NPC109026 |
0.561 | Remote Similarity | NPC252843 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC99700 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 |
---|---|---|---|
0.6486 | Remote Similarity | NPD900 | Approved |
0.6364 | Remote Similarity | NPD8989 | Approved |
0.6286 | Remote Similarity | NPD62 | Approved |
0.6136 | Remote Similarity | NPD2699 | Approved |
0.6129 | Remote Similarity | NPD8615 | Phase 2 |
0.6129 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD8618 | Approved |
0.6111 | Remote Similarity | NPD8856 | Phase 2 |
0.6053 | Remote Similarity | NPD8857 | Approved |
0.5897 | Remote Similarity | NPD9447 | Approved |
0.5833 | Remote Similarity | NPD9212 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD8617 | Approved |
0.5833 | Remote Similarity | NPD8619 | Approved |
0.5745 | Remote Similarity | NPD5343 | Approved |
0.5745 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD2266 | Phase 2 |
0.5714 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD8959 | Approved |
0.561 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
PubChem CID   | 10953 |
ChEMBL   | CHEMBL452383 |
ZINC   |
Molecular Weight:   | 100.05 |
ALogP:   | -0.6207 |
MLogP:   | 1.79 |
XLogP:   | 0.577 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 7 |