Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO13083 | Toona ciliata | Species | Meliaceae | Eukaryota | TCM_Taiwan* | |||
NPO30541 | Unum usitatissimum | NA | NA | NA | TCM_Taiwan* | |||
NPO15208 | Semen lini | NA | NA | NA | TCMSP* | |||
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 2511.9 | nM | PubChem BioAssay data set |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 6309.6 | nM | PubChem BioAssay data set |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 25118.9 | 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 NPC269823 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 |
---|---|---|
0.9744 | High Similarity | NPC213538 |
0.9744 | High Similarity | NPC256766 |
0.95 | High Similarity | NPC116934 |
0.9474 | High Similarity | NPC255042 |
0.9474 | High Similarity | NPC29091 |
0.9474 | High Similarity | NPC182840 |
0.9474 | High Similarity | NPC103213 |
0.9268 | High Similarity | NPC138935 |
0.9048 | High Similarity | NPC160628 |
0.9048 | High Similarity | NPC140501 |
0.85 | High Similarity | NPC15934 |
0.8261 | Intermediate Similarity | NPC26960 |
0.8261 | Intermediate Similarity | NPC474460 |
0.8261 | Intermediate Similarity | NPC182102 |
0.8085 | Intermediate Similarity | NPC473672 |
0.8085 | Intermediate Similarity | NPC474495 |
0.8043 | Intermediate Similarity | NPC267110 |
0.7949 | Intermediate Similarity | NPC58957 |
0.7907 | Intermediate Similarity | NPC304151 |
0.7907 | Intermediate Similarity | NPC206906 |
0.7778 | Intermediate Similarity | NPC269074 |
0.7755 | Intermediate Similarity | NPC474496 |
0.7692 | Intermediate Similarity | NPC250734 |
0.7609 | Intermediate Similarity | NPC308331 |
0.7609 | Intermediate Similarity | NPC180575 |
0.75 | Intermediate Similarity | NPC473913 |
0.75 | Intermediate Similarity | NPC249670 |
0.75 | Intermediate Similarity | NPC474642 |
0.7451 | Intermediate Similarity | NPC329686 |
0.7447 | Intermediate Similarity | NPC318549 |
0.7381 | Intermediate Similarity | NPC34873 |
0.7381 | Intermediate Similarity | NPC40434 |
0.7368 | Intermediate Similarity | NPC242117 |
0.7347 | Intermediate Similarity | NPC244038 |
0.7292 | Intermediate Similarity | NPC85079 |
0.7292 | Intermediate Similarity | NPC248884 |
0.7292 | Intermediate Similarity | NPC153538 |
0.7292 | Intermediate Similarity | NPC31194 |
0.7234 | Intermediate Similarity | NPC19834 |
0.7234 | Intermediate Similarity | NPC35141 |
0.7234 | Intermediate Similarity | NPC124183 |
0.7234 | Intermediate Similarity | NPC55063 |
0.72 | Intermediate Similarity | NPC35756 |
0.7174 | Intermediate Similarity | NPC101616 |
0.7174 | Intermediate Similarity | NPC304079 |
0.7174 | Intermediate Similarity | NPC6963 |
0.717 | Intermediate Similarity | NPC11130 |
0.717 | Intermediate Similarity | NPC129150 |
0.717 | Intermediate Similarity | NPC268185 |
0.7143 | Intermediate Similarity | NPC477727 |
0.7143 | Intermediate Similarity | NPC199286 |
0.7143 | Intermediate Similarity | NPC471281 |
0.7143 | Intermediate Similarity | NPC291437 |
0.7143 | Intermediate Similarity | NPC328784 |
0.7143 | Intermediate Similarity | NPC72699 |
0.7115 | Intermediate Similarity | NPC474644 |
0.7111 | Intermediate Similarity | NPC108494 |
0.7111 | Intermediate Similarity | NPC68889 |
0.7111 | Intermediate Similarity | NPC209279 |
0.7111 | Intermediate Similarity | NPC180871 |
0.7111 | Intermediate Similarity | NPC51758 |
0.7111 | Intermediate Similarity | NPC194586 |
0.7111 | Intermediate Similarity | NPC67761 |
0.7111 | Intermediate Similarity | NPC88079 |
0.7105 | Intermediate Similarity | NPC115959 |
0.7105 | Intermediate Similarity | NPC123965 |
0.7059 | Intermediate Similarity | NPC217188 |
0.7045 | Intermediate Similarity | NPC56917 |
0.7045 | Intermediate Similarity | NPC329762 |
0.7045 | Intermediate Similarity | NPC103236 |
0.7045 | Intermediate Similarity | NPC27444 |
0.7037 | Intermediate Similarity | NPC223679 |
0.7037 | Intermediate Similarity | NPC181872 |
0.7037 | Intermediate Similarity | NPC226848 |
0.7021 | Intermediate Similarity | NPC24824 |
0.7021 | Intermediate Similarity | NPC210560 |
0.7021 | Intermediate Similarity | NPC221379 |
0.7021 | Intermediate Similarity | NPC165651 |
0.7021 | Intermediate Similarity | NPC76976 |
0.7 | Intermediate Similarity | NPC151782 |
0.7 | Intermediate Similarity | NPC76198 |
0.7 | Intermediate Similarity | NPC224148 |
0.7 | Intermediate Similarity | NPC329608 |
0.7 | Intermediate Similarity | NPC170776 |
0.7 | Intermediate Similarity | NPC256656 |
0.7 | Intermediate Similarity | NPC294278 |
0.7 | Intermediate Similarity | NPC165447 |
0.7 | Intermediate Similarity | NPC71053 |
0.7 | Intermediate Similarity | NPC9273 |
0.7 | Intermediate Similarity | NPC89824 |
0.7 | Intermediate Similarity | NPC59408 |
0.7 | Intermediate Similarity | NPC475477 |
0.7 | Intermediate Similarity | NPC197272 |
0.7 | Intermediate Similarity | NPC55383 |
0.7 | Intermediate Similarity | NPC477723 |
0.7 | Intermediate Similarity | NPC471959 |
0.7 | Intermediate Similarity | NPC93639 |
0.6981 | Remote Similarity | NPC474643 |
0.6981 | Remote Similarity | NPC55412 |
0.6981 | Remote Similarity | NPC249645 |
0.6981 | Remote Similarity | NPC473865 |
0.6939 | Remote Similarity | NPC471276 |
0.6939 | Remote Similarity | NPC471280 |
0.6939 | Remote Similarity | NPC471275 |
0.6939 | Remote Similarity | NPC125122 |
0.6923 | Remote Similarity | NPC189677 |
0.6909 | Remote Similarity | NPC475931 |
0.6909 | Remote Similarity | NPC122239 |
0.6875 | Remote Similarity | NPC197467 |
0.6863 | Remote Similarity | NPC142092 |
0.6863 | Remote Similarity | NPC208638 |
0.6852 | Remote Similarity | NPC249850 |
0.6852 | Remote Similarity | NPC294938 |
0.6852 | Remote Similarity | NPC135863 |
0.6852 | Remote Similarity | NPC293437 |
0.6809 | Remote Similarity | NPC12907 |
0.6809 | Remote Similarity | NPC108195 |
0.68 | Remote Similarity | NPC225974 |
0.68 | Remote Similarity | NPC288381 |
0.68 | Remote Similarity | NPC20934 |
0.68 | Remote Similarity | NPC475071 |
0.6792 | Remote Similarity | NPC298299 |
0.6792 | Remote Similarity | NPC251666 |
0.6792 | Remote Similarity | NPC130209 |
0.6792 | Remote Similarity | NPC148216 |
0.6792 | Remote Similarity | NPC232247 |
0.6792 | Remote Similarity | NPC148163 |
0.6786 | Remote Similarity | NPC130807 |
0.6786 | Remote Similarity | NPC471081 |
0.675 | Remote Similarity | NPC471327 |
0.6739 | Remote Similarity | NPC149668 |
0.6731 | Remote Similarity | NPC61177 |
0.6727 | Remote Similarity | NPC21946 |
0.6727 | Remote Similarity | NPC254095 |
0.6667 | Remote Similarity | NPC47946 |
0.6667 | Remote Similarity | NPC129263 |
0.6667 | Remote Similarity | NPC29468 |
0.6667 | Remote Similarity | NPC276825 |
0.6667 | Remote Similarity | NPC26600 |
0.6667 | Remote Similarity | NPC12319 |
0.6667 | Remote Similarity | NPC48891 |
0.6667 | Remote Similarity | NPC18205 |
0.6607 | Remote Similarity | NPC82465 |
0.6604 | Remote Similarity | NPC49059 |
0.6604 | Remote Similarity | NPC48058 |
0.6604 | Remote Similarity | NPC256209 |
0.6604 | Remote Similarity | NPC473532 |
0.6604 | Remote Similarity | NPC110732 |
0.66 | Remote Similarity | NPC62755 |
0.6596 | Remote Similarity | NPC252978 |
0.6591 | Remote Similarity | NPC180840 |
0.6585 | Remote Similarity | NPC63121 |
0.6585 | Remote Similarity | NPC197356 |
0.6545 | Remote Similarity | NPC71755 |
0.6531 | Remote Similarity | NPC128280 |
0.6522 | Remote Similarity | NPC188596 |
0.6512 | Remote Similarity | NPC79544 |
0.6481 | Remote Similarity | NPC477725 |
0.6481 | Remote Similarity | NPC227135 |
0.6481 | Remote Similarity | NPC473725 |
0.6481 | Remote Similarity | NPC281590 |
0.6481 | Remote Similarity | NPC470963 |
0.6481 | Remote Similarity | NPC473896 |
0.6481 | Remote Similarity | NPC477726 |
0.6481 | Remote Similarity | NPC473735 |
0.6481 | Remote Similarity | NPC152668 |
0.6481 | Remote Similarity | NPC474513 |
0.6481 | Remote Similarity | NPC473721 |
0.6481 | Remote Similarity | NPC146551 |
0.6481 | Remote Similarity | NPC473910 |
0.6481 | Remote Similarity | NPC475353 |
0.6429 | Remote Similarity | NPC99088 |
0.6429 | Remote Similarity | NPC81989 |
0.6429 | Remote Similarity | NPC155025 |
0.6429 | Remote Similarity | NPC305759 |
0.6429 | Remote Similarity | NPC173592 |
0.6415 | Remote Similarity | NPC34577 |
0.641 | Remote Similarity | NPC138325 |
0.6383 | Remote Similarity | NPC46248 |
0.6383 | Remote Similarity | NPC249801 |
0.6379 | Remote Similarity | NPC55376 |
0.6364 | Remote Similarity | NPC185839 |
0.6364 | Remote Similarity | NPC470968 |
0.6364 | Remote Similarity | NPC161838 |
0.6364 | Remote Similarity | NPC475384 |
0.6364 | Remote Similarity | NPC470964 |
0.6364 | Remote Similarity | NPC470967 |
0.6364 | Remote Similarity | NPC477661 |
0.6364 | Remote Similarity | NPC473847 |
0.6364 | Remote Similarity | NPC470966 |
0.6364 | Remote Similarity | NPC470969 |
0.6364 | Remote Similarity | NPC471960 |
0.6364 | Remote Similarity | NPC311648 |
0.6333 | Remote Similarity | NPC282760 |
0.6333 | Remote Similarity | NPC308844 |
0.6333 | Remote Similarity | NPC19569 |
0.6333 | Remote Similarity | NPC477525 |
0.6327 | Remote Similarity | NPC270706 |
0.6316 | Remote Similarity | NPC322002 |
0.6316 | Remote Similarity | NPC322186 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC269823 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 |
---|---|---|---|
0.9048 | High Similarity | NPD4265 | Approved |
0.6981 | Remote Similarity | NPD4219 | Approved |
0.6939 | Remote Similarity | NPD4220 | Pre-registration |
0.6818 | Remote Similarity | NPD5783 | Phase 3 |
0.68 | Remote Similarity | NPD2268 | Discontinued |
0.6792 | Remote Similarity | NPD342 | Phase 1 |
0.6667 | Remote Similarity | NPD6927 | Phase 3 |
0.6207 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6102 | Remote Similarity | NPD368 | Approved |
0.6 | Remote Similarity | NPD39 | Approved |
0.6 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD5326 | Phase 3 |
0.5862 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD6096 | Approved |
0.58 | Remote Similarity | NPD6097 | Approved |
0.5769 | Remote Similarity | NPD5343 | Approved |
0.5686 | Remote Similarity | NPD4222 | Approved |
0.5625 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD1153 | Clinical (unspecified phase) |
PubChem CID   | 5281365 |
ChEMBL   | CHEMBL478589 |
ZINC   |
Molecular Weight:   | 290.26 |
ALogP:   | 4.8041 |
MLogP:   | 3.55 |
XLogP:   | 6.168 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |