Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO11591 | Rhododendron simiarum | Species | Ericaceae | Eukaryota | UNPD* | |||
NPO15095 | Hippophae rhamnoides | Species | Elaeagnaceae | Eukaryota | UNPD* | |||
NPO7783 | Agathosma affinis | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO17716 | Calendula arvensis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO16097 | Ottonia corcovadensis | NA | NA | NA | UNPD* | |||
NPO19125 | Hoppea dichotoma | Species | Gentianaceae | Eukaryota | UNPD* | |||
NPO18376 | Oryctolagus cuniculus | Species | Leporidae | Eukaryota | UNPD* | |||
NPO1307 | Rabdosia trichocarpa | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO15968 | Annella mollis | Species | Subergorgiidae | Eukaryota | UNPD* | |||
NPO16964 | Aplophyllum tenue | NA | NA | NA | UNPD* | |||
NPO16826 | Streptomyces refuineus | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO18705 | Sinularia crassa | Species | Alcyoniidae | Eukaryota | UNPD* | |||
NPO10708 | Colchicum kesselringii | Species | Colchicaceae | Eukaryota | UNPD* | |||
NPO18789 | Cosmos caudatus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO15604 | Bombax oleagineum | Species | Malvaceae | Eukaryota | UNPD* | |||
NPO18846 | Gastrolobium grandiflorum | Species | Fabaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT910 | Individual Protein | Cholesteryl ester transfer protein | Homo sapiens | IC50 | = | 46800 | nM | 10.1016/S0960-894X(97)00248-5 |
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 NPC103712 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 | NPC291196 |
0.9412 | High Similarity | NPC288086 |
0.8594 | High Similarity | NPC329003 |
0.8594 | High Similarity | NPC326524 |
0.8594 | High Similarity | NPC325550 |
0.8533 | High Similarity | NPC82799 |
0.8472 | Intermediate Similarity | NPC264417 |
0.8472 | Intermediate Similarity | NPC217095 |
0.8438 | Intermediate Similarity | NPC321030 |
0.806 | Intermediate Similarity | NPC29468 |
0.7971 | Intermediate Similarity | NPC477525 |
0.7969 | Intermediate Similarity | NPC242930 |
0.7941 | Intermediate Similarity | NPC55068 |
0.791 | Intermediate Similarity | NPC130807 |
0.7703 | Intermediate Similarity | NPC314678 |
0.7619 | Intermediate Similarity | NPC209047 |
0.7619 | Intermediate Similarity | NPC74672 |
0.7619 | Intermediate Similarity | NPC242503 |
0.7619 | Intermediate Similarity | NPC139782 |
0.7619 | Intermediate Similarity | NPC43074 |
0.7531 | Intermediate Similarity | NPC477199 |
0.7529 | Intermediate Similarity | NPC111567 |
0.7529 | Intermediate Similarity | NPC263545 |
0.7529 | Intermediate Similarity | NPC473581 |
0.7529 | Intermediate Similarity | NPC475125 |
0.7529 | Intermediate Similarity | NPC15851 |
0.7529 | Intermediate Similarity | NPC186840 |
0.7529 | Intermediate Similarity | NPC473950 |
0.7529 | Intermediate Similarity | NPC309898 |
0.7529 | Intermediate Similarity | NPC473604 |
0.75 | Intermediate Similarity | NPC474312 |
0.7429 | Intermediate Similarity | NPC471023 |
0.7429 | Intermediate Similarity | NPC316674 |
0.7361 | Intermediate Similarity | NPC113224 |
0.7361 | Intermediate Similarity | NPC129995 |
0.7361 | Intermediate Similarity | NPC315141 |
0.7356 | Intermediate Similarity | NPC3568 |
0.7356 | Intermediate Similarity | NPC256570 |
0.7356 | Intermediate Similarity | NPC282088 |
0.7356 | Intermediate Similarity | NPC157353 |
0.7356 | Intermediate Similarity | NPC17290 |
0.7356 | Intermediate Similarity | NPC54961 |
0.7356 | Intermediate Similarity | NPC156782 |
0.7356 | Intermediate Similarity | NPC192066 |
0.7356 | Intermediate Similarity | NPC158445 |
0.7326 | Intermediate Similarity | NPC182632 |
0.7326 | Intermediate Similarity | NPC282705 |
0.7286 | Intermediate Similarity | NPC47333 |
0.7246 | Intermediate Similarity | NPC312826 |
0.7215 | Intermediate Similarity | NPC474833 |
0.72 | Intermediate Similarity | NPC324638 |
0.7195 | Intermediate Similarity | NPC228638 |
0.7191 | Intermediate Similarity | NPC197294 |
0.7191 | Intermediate Similarity | NPC183449 |
0.7191 | Intermediate Similarity | NPC8098 |
0.7183 | Intermediate Similarity | NPC477106 |
0.7162 | Intermediate Similarity | NPC474812 |
0.7159 | Intermediate Similarity | NPC262312 |
0.7159 | Intermediate Similarity | NPC23454 |
0.7159 | Intermediate Similarity | NPC35269 |
0.7159 | Intermediate Similarity | NPC70323 |
0.7121 | Intermediate Similarity | NPC474496 |
0.7121 | Intermediate Similarity | NPC270041 |
0.7093 | Intermediate Similarity | NPC39290 |
0.7093 | Intermediate Similarity | NPC159369 |
0.7067 | Intermediate Similarity | NPC280065 |
0.7067 | Intermediate Similarity | NPC45060 |
0.7059 | Intermediate Similarity | NPC473847 |
0.7059 | Intermediate Similarity | NPC470967 |
0.7059 | Intermediate Similarity | NPC471960 |
0.7059 | Intermediate Similarity | NPC470969 |
0.7059 | Intermediate Similarity | NPC477661 |
0.7059 | Intermediate Similarity | NPC475384 |
0.7059 | Intermediate Similarity | NPC161838 |
0.7059 | Intermediate Similarity | NPC470966 |
0.7059 | Intermediate Similarity | NPC470968 |
0.7015 | Intermediate Similarity | NPC49059 |
0.7015 | Intermediate Similarity | NPC256209 |
0.7 | Intermediate Similarity | NPC45313 |
0.6977 | Remote Similarity | NPC316186 |
0.697 | Remote Similarity | NPC188341 |
0.697 | Remote Similarity | NPC49494 |
0.6957 | Remote Similarity | NPC470970 |
0.6933 | Remote Similarity | NPC249713 |
0.6932 | Remote Similarity | NPC61894 |
0.6932 | Remote Similarity | NPC475603 |
0.6912 | Remote Similarity | NPC473725 |
0.6912 | Remote Similarity | NPC477726 |
0.6912 | Remote Similarity | NPC473721 |
0.6912 | Remote Similarity | NPC477725 |
0.6912 | Remote Similarity | NPC473910 |
0.6912 | Remote Similarity | NPC473896 |
0.6912 | Remote Similarity | NPC475353 |
0.6912 | Remote Similarity | NPC473735 |
0.6857 | Remote Similarity | NPC325734 |
0.6849 | Remote Similarity | NPC235311 |
0.6849 | Remote Similarity | NPC253468 |
0.6842 | Remote Similarity | NPC471022 |
0.6835 | Remote Similarity | NPC3094 |
0.6835 | Remote Similarity | NPC476924 |
0.6818 | Remote Similarity | NPC473672 |
0.6818 | Remote Similarity | NPC261571 |
0.6818 | Remote Similarity | NPC474495 |
0.6813 | Remote Similarity | NPC475503 |
0.6812 | Remote Similarity | NPC261158 |
0.6812 | Remote Similarity | NPC24216 |
0.6812 | Remote Similarity | NPC306420 |
0.6812 | Remote Similarity | NPC104138 |
0.6806 | Remote Similarity | NPC145627 |
0.6765 | Remote Similarity | NPC473532 |
0.6761 | Remote Similarity | NPC150505 |
0.6761 | Remote Similarity | NPC74617 |
0.6739 | Remote Similarity | NPC475646 |
0.6719 | Remote Similarity | NPC319709 |
0.6719 | Remote Similarity | NPC289484 |
0.6714 | Remote Similarity | NPC168308 |
0.6714 | Remote Similarity | NPC302569 |
0.6667 | Remote Similarity | NPC273023 |
0.6667 | Remote Similarity | NPC297020 |
0.6625 | Remote Similarity | NPC62293 |
0.6625 | Remote Similarity | NPC140327 |
0.6625 | Remote Similarity | NPC212008 |
0.6625 | Remote Similarity | NPC51055 |
0.6618 | Remote Similarity | NPC187361 |
0.6618 | Remote Similarity | NPC477724 |
0.6618 | Remote Similarity | NPC26102 |
0.6591 | Remote Similarity | NPC34754 |
0.6582 | Remote Similarity | NPC305223 |
0.6567 | Remote Similarity | NPC151782 |
0.6567 | Remote Similarity | NPC129263 |
0.6562 | Remote Similarity | NPC76976 |
0.6528 | Remote Similarity | NPC122239 |
0.6522 | Remote Similarity | NPC110732 |
0.6522 | Remote Similarity | NPC132669 |
0.6522 | Remote Similarity | NPC269800 |
0.6522 | Remote Similarity | NPC184014 |
0.6522 | Remote Similarity | NPC246519 |
0.6522 | Remote Similarity | NPC44193 |
0.6522 | Remote Similarity | NPC14234 |
0.6495 | Remote Similarity | NPC74035 |
0.6486 | Remote Similarity | NPC470965 |
0.6471 | Remote Similarity | NPC39966 |
0.6429 | Remote Similarity | NPC201128 |
0.6429 | Remote Similarity | NPC79367 |
0.6418 | Remote Similarity | NPC72699 |
0.6389 | Remote Similarity | NPC226848 |
0.6386 | Remote Similarity | NPC473972 |
0.6386 | Remote Similarity | NPC473971 |
0.6386 | Remote Similarity | NPC475363 |
0.6377 | Remote Similarity | NPC34577 |
0.6377 | Remote Similarity | NPC303672 |
0.6364 | Remote Similarity | NPC470663 |
0.6364 | Remote Similarity | NPC195165 |
0.6351 | Remote Similarity | NPC475984 |
0.6324 | Remote Similarity | NPC89824 |
0.6324 | Remote Similarity | NPC471959 |
0.6324 | Remote Similarity | NPC71053 |
0.6324 | Remote Similarity | NPC329608 |
0.6324 | Remote Similarity | NPC477723 |
0.6324 | Remote Similarity | NPC256656 |
0.6324 | Remote Similarity | NPC294278 |
0.6324 | Remote Similarity | NPC197272 |
0.6324 | Remote Similarity | NPC165447 |
0.6324 | Remote Similarity | NPC76198 |
0.6324 | Remote Similarity | NPC224148 |
0.6324 | Remote Similarity | NPC475477 |
0.6324 | Remote Similarity | NPC9273 |
0.6324 | Remote Similarity | NPC59408 |
0.6324 | Remote Similarity | NPC170776 |
0.6316 | Remote Similarity | NPC136164 |
0.6316 | Remote Similarity | NPC308844 |
0.6316 | Remote Similarity | NPC245947 |
0.6316 | Remote Similarity | NPC255863 |
0.6301 | Remote Similarity | NPC475931 |
0.6289 | Remote Similarity | NPC477198 |
0.6282 | Remote Similarity | NPC23721 |
0.6279 | Remote Similarity | NPC224072 |
0.6279 | Remote Similarity | NPC469838 |
0.6279 | Remote Similarity | NPC469833 |
0.6277 | Remote Similarity | NPC175614 |
0.6269 | Remote Similarity | NPC248884 |
0.6269 | Remote Similarity | NPC85079 |
0.6269 | Remote Similarity | NPC31194 |
0.6269 | Remote Similarity | NPC153538 |
0.6267 | Remote Similarity | NPC182758 |
0.6267 | Remote Similarity | NPC29697 |
0.625 | Remote Similarity | NPC252978 |
0.6237 | Remote Similarity | NPC473314 |
0.6235 | Remote Similarity | NPC207657 |
0.6234 | Remote Similarity | NPC187315 |
0.6232 | Remote Similarity | NPC195986 |
0.6216 | Remote Similarity | NPC6795 |
0.6216 | Remote Similarity | NPC327112 |
0.6203 | Remote Similarity | NPC127145 |
0.6203 | Remote Similarity | NPC470436 |
0.6203 | Remote Similarity | NPC475930 |
0.6197 | Remote Similarity | NPC317899 |
0.6197 | Remote Similarity | NPC471992 |
0.6196 | Remote Similarity | NPC319473 |
0.6184 | Remote Similarity | NPC470320 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC103712 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 |
---|---|---|---|
0.7941 | Intermediate Similarity | NPD3210 | Clinical (unspecified phase) |
0.7619 | Intermediate Similarity | NPD8522 | Clinical (unspecified phase) |
0.72 | Intermediate Similarity | NPD3212 | Clinical (unspecified phase) |
0.6719 | Remote Similarity | NPD3211 | Approved |
0.6351 | Remote Similarity | NPD6949 | Clinical (unspecified phase) |
0.6216 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6105 | Remote Similarity | NPD4228 | Discovery |
0.6061 | Remote Similarity | NPD1152 | Phase 2 |
0.6061 | Remote Similarity | NPD4265 | Approved |
0.6019 | Remote Similarity | NPD6421 | Discontinued |
0.6 | Remote Similarity | NPD3215 | Phase 1 |
0.5957 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5922 | Remote Similarity | NPD6413 | Approved |
0.5914 | Remote Similarity | NPD6095 | Approved |
0.5914 | Remote Similarity | NPD6094 | Approved |
0.5865 | Remote Similarity | NPD6420 | Discontinued |
0.5854 | Remote Similarity | NPD3187 | Discontinued |
0.5825 | Remote Similarity | NPD6406 | Approved |
0.5769 | Remote Similarity | NPD3197 | Phase 1 |
0.5765 | Remote Similarity | NPD818 | Approved |
0.5765 | Remote Similarity | NPD819 | Approved |
0.5729 | Remote Similarity | NPD5771 | Approved |
0.5714 | Remote Similarity | NPD3214 | Discontinued |
0.567 | Remote Similarity | NPD4814 | Discontinued |
0.5647 | Remote Similarity | NPD8264 | Approved |
0.5632 | Remote Similarity | NPD4268 | Approved |
0.5632 | Remote Similarity | NPD4271 | Approved |
0.5632 | Remote Similarity | NPD3732 | Approved |
0.5631 | Remote Similarity | NPD5357 | Phase 1 |
0.5631 | Remote Similarity | NPD6640 | Phase 3 |
0.561 | Remote Similarity | NPD15 | Approved |
0.561 | Remote Similarity | NPD1082 | Approved |
0.561 | Remote Similarity | NPD791 | Approved |
PubChem CID   | 14331917 |
ChEMBL   | CHEMBL37460 |
ZINC   |
Molecular Weight:   | 535.50 |
ALogP:   | -5.1237 |
MLogP:   | 4.76 |
XLogP:   | 13.912 |
# Rotatable Bonds:   | 34 |
Polar Surface Area:   | 73.05 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 38 |