Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO13199 | Syzygium jambos | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO1304 | Macrozamia macdonnelli | Species | Zamiaceae | Eukaryota | UNPD* | |||
NPO8264 | Holothuria scabra | Species | Holothuriidae | Eukaryota | UNPD* | |||
NPO2032 | Eucalyptus aggregata | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO4135 | Poecillastra sollasi | Species | Vulcanellidae | Eukaryota | UNPD* | |||
NPO7239 | Gnetum parvifolium | Species | Gnetaceae | Eukaryota | UNPD* | |||
NPO606 | Felicia filifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO8799 | Quassia multiflora | Species | Simaroubaceae | Eukaryota | UNPD* | |||
NPO2227 | Clerodendrum splendens | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO3550 | Clerodendrum phlomidis | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO21035 | Crinum oliganthum | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO5112 | Adonis leiosepala | Species | Ranunculaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 125 | ug/ml | 8496702 |
NPT85 | Organism | Filobasidiella neoformans | Cryptococcus neoformans | MIC | = | 31.2 | ug/ml | 8496702 |
NPT168 | Cell Line | P388 | Mus musculus | IC50 | = | 6 | ug/ml | 8496702 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 17 | ug/ml | 8496702 |
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 NPC224072 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 |
---|---|---|
0.9 | High Similarity | NPC39966 |
0.7727 | Intermediate Similarity | NPC166458 |
0.7556 | Intermediate Similarity | NPC316186 |
0.7556 | Intermediate Similarity | NPC34754 |
0.7347 | Intermediate Similarity | NPC471083 |
0.7347 | Intermediate Similarity | NPC247060 |
0.7347 | Intermediate Similarity | NPC50815 |
0.7222 | Intermediate Similarity | NPC152684 |
0.7113 | Intermediate Similarity | NPC240650 |
0.71 | Intermediate Similarity | NPC45365 |
0.71 | Intermediate Similarity | NPC90538 |
0.71 | Intermediate Similarity | NPC293299 |
0.6979 | Remote Similarity | NPC243985 |
0.6979 | Remote Similarity | NPC280710 |
0.6961 | Remote Similarity | NPC55462 |
0.6939 | Remote Similarity | NPC4834 |
0.6931 | Remote Similarity | NPC474583 |
0.6835 | Remote Similarity | NPC29468 |
0.6832 | Remote Similarity | NPC152718 |
0.6832 | Remote Similarity | NPC226509 |
0.68 | Remote Similarity | NPC275686 |
0.6778 | Remote Similarity | NPC475724 |
0.6778 | Remote Similarity | NPC257962 |
0.6768 | Remote Similarity | NPC167419 |
0.6699 | Remote Similarity | NPC469958 |
0.6698 | Remote Similarity | NPC472359 |
0.6633 | Remote Similarity | NPC473314 |
0.6602 | Remote Similarity | NPC474563 |
0.6571 | Remote Similarity | NPC25340 |
0.65 | Remote Similarity | NPC130807 |
0.6476 | Remote Similarity | NPC230677 |
0.6465 | Remote Similarity | NPC477290 |
0.6458 | Remote Similarity | NPC324405 |
0.6449 | Remote Similarity | NPC175585 |
0.6429 | Remote Similarity | NPC69649 |
0.6429 | Remote Similarity | NPC68703 |
0.6422 | Remote Similarity | NPC56796 |
0.6422 | Remote Similarity | NPC80834 |
0.6422 | Remote Similarity | NPC469968 |
0.6404 | Remote Similarity | NPC476308 |
0.6395 | Remote Similarity | NPC34834 |
0.6392 | Remote Similarity | NPC249312 |
0.6386 | Remote Similarity | NPC477525 |
0.6355 | Remote Similarity | NPC140251 |
0.6355 | Remote Similarity | NPC307903 |
0.6337 | Remote Similarity | NPC475503 |
0.6321 | Remote Similarity | NPC258130 |
0.631 | Remote Similarity | NPC279434 |
0.6296 | Remote Similarity | NPC311809 |
0.6279 | Remote Similarity | NPC45060 |
0.6279 | Remote Similarity | NPC280065 |
0.6279 | Remote Similarity | NPC103712 |
0.6279 | Remote Similarity | NPC291196 |
0.6275 | Remote Similarity | NPC475646 |
0.6235 | Remote Similarity | NPC114651 |
0.622 | Remote Similarity | NPC124849 |
0.622 | Remote Similarity | NPC21848 |
0.6211 | Remote Similarity | NPC477199 |
0.6203 | Remote Similarity | NPC261158 |
0.6203 | Remote Similarity | NPC104138 |
0.6203 | Remote Similarity | NPC24216 |
0.6203 | Remote Similarity | NPC306420 |
0.6196 | Remote Similarity | NPC471597 |
0.6176 | Remote Similarity | NPC476903 |
0.6176 | Remote Similarity | NPC247220 |
0.6173 | Remote Similarity | NPC312826 |
0.617 | Remote Similarity | NPC283277 |
0.6145 | Remote Similarity | NPC81615 |
0.6136 | Remote Similarity | NPC265789 |
0.6136 | Remote Similarity | NPC476329 |
0.6136 | Remote Similarity | NPC21773 |
0.6129 | Remote Similarity | NPC476560 |
0.6125 | Remote Similarity | NPC11130 |
0.6121 | Remote Similarity | NPC242692 |
0.6118 | Remote Similarity | NPC242945 |
0.6118 | Remote Similarity | NPC37792 |
0.6118 | Remote Similarity | NPC259156 |
0.6111 | Remote Similarity | NPC69383 |
0.6111 | Remote Similarity | NPC169375 |
0.6111 | Remote Similarity | NPC313179 |
0.6111 | Remote Similarity | NPC171148 |
0.6105 | Remote Similarity | NPC477584 |
0.6098 | Remote Similarity | NPC309877 |
0.6092 | Remote Similarity | NPC473893 |
0.6092 | Remote Similarity | NPC471560 |
0.6092 | Remote Similarity | NPC472831 |
0.6092 | Remote Similarity | NPC138409 |
0.6091 | Remote Similarity | NPC476290 |
0.6087 | Remote Similarity | NPC469492 |
0.6078 | Remote Similarity | NPC272732 |
0.6078 | Remote Similarity | NPC303045 |
0.6078 | Remote Similarity | NPC161972 |
0.6078 | Remote Similarity | NPC311164 |
0.6076 | Remote Similarity | NPC471992 |
0.6076 | Remote Similarity | NPC297020 |
0.6076 | Remote Similarity | NPC273023 |
0.6075 | Remote Similarity | NPC119329 |
0.6071 | Remote Similarity | NPC476682 |
0.6068 | Remote Similarity | NPC472458 |
0.6068 | Remote Similarity | NPC469943 |
0.6058 | Remote Similarity | NPC140685 |
0.6047 | Remote Similarity | NPC171225 |
0.6024 | Remote Similarity | NPC469728 |
0.6024 | Remote Similarity | NPC219621 |
0.6023 | Remote Similarity | NPC189745 |
0.6022 | Remote Similarity | NPC469517 |
0.6019 | Remote Similarity | NPC36497 |
0.6 | Remote Similarity | NPC306727 |
0.6 | Remote Similarity | NPC107258 |
0.6 | Remote Similarity | NPC476904 |
0.6 | Remote Similarity | NPC476366 |
0.6 | Remote Similarity | NPC474964 |
0.6 | Remote Similarity | NPC288086 |
0.6 | Remote Similarity | NPC201048 |
0.6 | Remote Similarity | NPC477288 |
0.6 | Remote Similarity | NPC215474 |
0.5982 | Remote Similarity | NPC476269 |
0.5979 | Remote Similarity | NPC75810 |
0.5979 | Remote Similarity | NPC24733 |
0.5978 | Remote Similarity | NPC91594 |
0.5977 | Remote Similarity | NPC249713 |
0.5976 | Remote Similarity | NPC325550 |
0.5976 | Remote Similarity | NPC329003 |
0.5976 | Remote Similarity | NPC326524 |
0.5963 | Remote Similarity | NPC475800 |
0.5962 | Remote Similarity | NPC140300 |
0.5952 | Remote Similarity | NPC174956 |
0.5946 | Remote Similarity | NPC328052 |
0.5946 | Remote Similarity | NPC122926 |
0.5946 | Remote Similarity | NPC113012 |
0.5943 | Remote Similarity | NPC77703 |
0.5943 | Remote Similarity | NPC469457 |
0.5941 | Remote Similarity | NPC476064 |
0.5934 | Remote Similarity | NPC32832 |
0.5934 | Remote Similarity | NPC125828 |
0.593 | Remote Similarity | NPC286669 |
0.593 | Remote Similarity | NPC476039 |
0.593 | Remote Similarity | NPC222366 |
0.5918 | Remote Similarity | NPC474458 |
0.5917 | Remote Similarity | NPC237286 |
0.5914 | Remote Similarity | NPC476314 |
0.5914 | Remote Similarity | NPC83351 |
0.5914 | Remote Similarity | NPC167891 |
0.5909 | Remote Similarity | NPC474248 |
0.5909 | Remote Similarity | NPC159367 |
0.5904 | Remote Similarity | NPC176621 |
0.5893 | Remote Similarity | NPC66862 |
0.5889 | Remote Similarity | NPC314678 |
0.5889 | Remote Similarity | NPC474743 |
0.5889 | Remote Similarity | NPC130665 |
0.5888 | Remote Similarity | NPC469598 |
0.5882 | Remote Similarity | NPC290367 |
0.5882 | Remote Similarity | NPC107540 |
0.5875 | Remote Similarity | NPC242930 |
0.587 | Remote Similarity | NPC244488 |
0.587 | Remote Similarity | NPC247325 |
0.587 | Remote Similarity | NPC265588 |
0.587 | Remote Similarity | NPC253190 |
0.587 | Remote Similarity | NPC470749 |
0.587 | Remote Similarity | NPC7214 |
0.5865 | Remote Similarity | NPC25565 |
0.5865 | Remote Similarity | NPC476449 |
0.5862 | Remote Similarity | NPC197805 |
0.5856 | Remote Similarity | NPC474725 |
0.5854 | Remote Similarity | NPC321030 |
0.5854 | Remote Similarity | NPC210999 |
0.5851 | Remote Similarity | NPC30986 |
0.5851 | Remote Similarity | NPC81306 |
0.5851 | Remote Similarity | NPC47982 |
0.5851 | Remote Similarity | NPC109546 |
0.5851 | Remote Similarity | NPC143182 |
0.5851 | Remote Similarity | NPC84694 |
0.5851 | Remote Similarity | NPC28862 |
0.5851 | Remote Similarity | NPC209430 |
0.5833 | Remote Similarity | NPC241879 |
0.5833 | Remote Similarity | NPC210346 |
0.5833 | Remote Similarity | NPC477583 |
0.5833 | Remote Similarity | NPC41160 |
0.5833 | Remote Similarity | NPC473254 |
0.5826 | Remote Similarity | NPC288629 |
0.5825 | Remote Similarity | NPC116930 |
0.5823 | Remote Similarity | NPC303672 |
0.5814 | Remote Similarity | NPC163678 |
0.581 | Remote Similarity | NPC474164 |
0.581 | Remote Similarity | NPC473501 |
0.581 | Remote Similarity | NPC311242 |
0.581 | Remote Similarity | NPC475439 |
0.5806 | Remote Similarity | NPC470711 |
0.5806 | Remote Similarity | NPC132542 |
0.5806 | Remote Similarity | NPC470758 |
0.5804 | Remote Similarity | NPC72753 |
0.5802 | Remote Similarity | NPC4881 |
0.5795 | Remote Similarity | NPC216460 |
0.5795 | Remote Similarity | NPC208999 |
0.5795 | Remote Similarity | NPC96484 |
0.5794 | Remote Similarity | NPC118275 |
0.5789 | Remote Similarity | NPC87359 |
0.5789 | Remote Similarity | NPC180402 |
0.5789 | Remote Similarity | NPC96362 |
0.5789 | Remote Similarity | NPC234193 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC224072 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 |
---|---|---|---|
0.7717 | Intermediate Similarity | NPD5771 | Approved |
0.6867 | Remote Similarity | NPD791 | Approved |
0.6867 | Remote Similarity | NPD15 | Approved |
0.6804 | Remote Similarity | NPD5769 | Clinical (unspecified phase) |
0.6782 | Remote Similarity | NPD1346 | Approved |
0.6471 | Remote Similarity | NPD1082 | Approved |
0.6311 | Remote Similarity | NPD6404 | Discontinued |
0.622 | Remote Similarity | NPD835 | Approved |
0.622 | Remote Similarity | NPD834 | Approved |
0.6207 | Remote Similarity | NPD6939 | Phase 2 |
0.6207 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.6173 | Remote Similarity | NPD571 | Approved |
0.6145 | Remote Similarity | NPD832 | Approved |
0.6145 | Remote Similarity | NPD833 | Approved |
0.6122 | Remote Similarity | NPD4722 | Approved |
0.6122 | Remote Similarity | NPD4723 | Approved |
0.6111 | Remote Similarity | NPD8264 | Approved |
0.6049 | Remote Similarity | NPD570 | Approved |
0.5842 | Remote Similarity | NPD4001 | Clinical (unspecified phase) |
0.5842 | Remote Similarity | NPD790 | Approved |
0.5802 | Remote Similarity | NPD273 | Approved |
0.5794 | Remote Similarity | NPD4760 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD362 | Phase 1 |
0.578 | Remote Similarity | NPD179 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD6640 | Phase 3 |
0.5726 | Remote Similarity | NPD6914 | Discontinued |
0.561 | Remote Similarity | NPD4219 | Approved |
0.5604 | Remote Similarity | NPD4243 | Approved |
PubChem CID   | 44575909 |
ChEMBL   | CHEMBL483421 |
ZINC   |
Molecular Weight:   | 332.25 |
ALogP:   | 1.6544 |
MLogP:   | 3.22 |
XLogP:   | 4.906 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 65.18 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 24 |