Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29687 | Houttuyniae herba | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT776 | Organism | Spodoptera littoralis | Spodoptera littoralis | LC50 | > | 100 | ug/ml | 10.1303/aez.2010.425 |
NPT3472 | Organism | Theba pisana | Theba pisana | LD50 | = | 130.51 | ug | 10.1303/aez.2010.425 |
NPT3472 | Organism | Theba pisana | Theba pisana | LC50 | = | 7.72 | ug/ml | 10.1303/aez.2010.425 |
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 NPC56917 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 | NPC51758 |
0.9 | High Similarity | NPC88079 |
0.9 | High Similarity | NPC68889 |
0.9 | High Similarity | NPC194586 |
0.9 | High Similarity | NPC180871 |
0.9 | High Similarity | NPC108494 |
0.9 | High Similarity | NPC67761 |
0.9 | High Similarity | NPC209279 |
0.7857 | Intermediate Similarity | NPC188596 |
0.766 | Intermediate Similarity | NPC474460 |
0.7381 | Intermediate Similarity | NPC255042 |
0.7381 | Intermediate Similarity | NPC182840 |
0.7381 | Intermediate Similarity | NPC29091 |
0.7381 | Intermediate Similarity | NPC103213 |
0.7347 | Intermediate Similarity | NPC68014 |
0.7347 | Intermediate Similarity | NPC35756 |
0.7111 | Intermediate Similarity | NPC116934 |
0.7059 | Intermediate Similarity | NPC474127 |
0.7045 | Intermediate Similarity | NPC269823 |
0.7 | Intermediate Similarity | NPC208638 |
0.6977 | Remote Similarity | NPC15934 |
0.6957 | Remote Similarity | NPC138935 |
0.6923 | Remote Similarity | NPC227135 |
0.6889 | Remote Similarity | NPC256766 |
0.6889 | Remote Similarity | NPC213538 |
0.6829 | Remote Similarity | NPC58957 |
0.6809 | Remote Similarity | NPC160628 |
0.6809 | Remote Similarity | NPC140501 |
0.675 | Remote Similarity | NPC63121 |
0.675 | Remote Similarity | NPC197356 |
0.6744 | Remote Similarity | NPC40434 |
0.6744 | Remote Similarity | NPC34873 |
0.6735 | Remote Similarity | NPC267110 |
0.6667 | Remote Similarity | NPC177112 |
0.6667 | Remote Similarity | NPC71755 |
0.6667 | Remote Similarity | NPC71506 |
0.6604 | Remote Similarity | NPC329686 |
0.66 | Remote Similarity | NPC221467 |
0.66 | Remote Similarity | NPC329773 |
0.6596 | Remote Similarity | NPC304079 |
0.6596 | Remote Similarity | NPC6963 |
0.6585 | Remote Similarity | NPC250734 |
0.6585 | Remote Similarity | NPC81989 |
0.6545 | Remote Similarity | NPC181872 |
0.6522 | Remote Similarity | NPC304151 |
0.6522 | Remote Similarity | NPC206906 |
0.6512 | Remote Similarity | NPC185839 |
0.65 | Remote Similarity | NPC206088 |
0.65 | Remote Similarity | NPC66577 |
0.6471 | Remote Similarity | NPC214584 |
0.6471 | Remote Similarity | NPC244038 |
0.6471 | Remote Similarity | NPC473672 |
0.6471 | Remote Similarity | NPC26906 |
0.6471 | Remote Similarity | NPC474495 |
0.6458 | Remote Similarity | NPC210560 |
0.6458 | Remote Similarity | NPC24824 |
0.6458 | Remote Similarity | NPC165651 |
0.641 | Remote Similarity | NPC138113 |
0.64 | Remote Similarity | NPC91765 |
0.64 | Remote Similarity | NPC153538 |
0.64 | Remote Similarity | NPC15912 |
0.6383 | Remote Similarity | NPC216921 |
0.6383 | Remote Similarity | NPC15162 |
0.6364 | Remote Similarity | NPC180840 |
0.6346 | Remote Similarity | NPC35519 |
0.6346 | Remote Similarity | NPC181255 |
0.6346 | Remote Similarity | NPC229046 |
0.6346 | Remote Similarity | NPC40417 |
0.6346 | Remote Similarity | NPC179169 |
0.6346 | Remote Similarity | NPC306195 |
0.6346 | Remote Similarity | NPC294358 |
0.6346 | Remote Similarity | NPC157781 |
0.6346 | Remote Similarity | NPC46565 |
0.6327 | Remote Similarity | NPC55063 |
0.6327 | Remote Similarity | NPC19834 |
0.6327 | Remote Similarity | NPC308331 |
0.6316 | Remote Similarity | NPC258788 |
0.6296 | Remote Similarity | NPC251666 |
0.6296 | Remote Similarity | NPC232247 |
0.6279 | Remote Similarity | NPC79544 |
0.6279 | Remote Similarity | NPC38497 |
0.6275 | Remote Similarity | NPC182102 |
0.6275 | Remote Similarity | NPC27264 |
0.6275 | Remote Similarity | NPC26960 |
0.6275 | Remote Similarity | NPC328784 |
0.6275 | Remote Similarity | NPC72699 |
0.6275 | Remote Similarity | NPC291437 |
0.625 | Remote Similarity | NPC226848 |
0.625 | Remote Similarity | NPC155025 |
0.625 | Remote Similarity | NPC60288 |
0.625 | Remote Similarity | NPC101616 |
0.6226 | Remote Similarity | NPC474496 |
0.6226 | Remote Similarity | NPC217188 |
0.6207 | Remote Similarity | NPC55376 |
0.62 | Remote Similarity | NPC91044 |
0.619 | Remote Similarity | NPC12889 |
0.6182 | Remote Similarity | NPC48891 |
0.6182 | Remote Similarity | NPC274396 |
0.617 | Remote Similarity | NPC46248 |
0.617 | Remote Similarity | NPC249801 |
0.6154 | Remote Similarity | NPC262789 |
0.6154 | Remote Similarity | NPC71053 |
0.6154 | Remote Similarity | NPC43053 |
0.6154 | Remote Similarity | NPC148056 |
0.6154 | Remote Similarity | NPC64176 |
0.6154 | Remote Similarity | NPC151782 |
0.6154 | Remote Similarity | NPC59408 |
0.6154 | Remote Similarity | NPC288991 |
0.6154 | Remote Similarity | NPC93639 |
0.614 | Remote Similarity | NPC122239 |
0.614 | Remote Similarity | NPC475931 |
0.6122 | Remote Similarity | NPC269074 |
0.6111 | Remote Similarity | NPC184014 |
0.6111 | Remote Similarity | NPC246519 |
0.6111 | Remote Similarity | NPC132669 |
0.6111 | Remote Similarity | NPC189677 |
0.6111 | Remote Similarity | NPC44193 |
0.6111 | Remote Similarity | NPC269800 |
0.6111 | Remote Similarity | NPC14234 |
0.6102 | Remote Similarity | NPC174956 |
0.6078 | Remote Similarity | NPC248884 |
0.6078 | Remote Similarity | NPC31194 |
0.6078 | Remote Similarity | NPC85079 |
0.6078 | Remote Similarity | NPC62755 |
0.6066 | Remote Similarity | NPC267027 |
0.6042 | Remote Similarity | NPC270796 |
0.6042 | Remote Similarity | NPC252978 |
0.6038 | Remote Similarity | NPC151919 |
0.6034 | Remote Similarity | NPC66020 |
0.6034 | Remote Similarity | NPC471081 |
0.6034 | Remote Similarity | NPC99487 |
0.6034 | Remote Similarity | NPC176621 |
0.6034 | Remote Similarity | NPC240506 |
0.6034 | Remote Similarity | NPC469694 |
0.6 | Remote Similarity | NPC35141 |
0.6 | Remote Similarity | NPC300593 |
0.6 | Remote Similarity | NPC92863 |
0.6 | Remote Similarity | NPC180575 |
0.6 | Remote Similarity | NPC281590 |
0.6 | Remote Similarity | NPC297280 |
0.6 | Remote Similarity | NPC124183 |
0.6 | Remote Similarity | NPC298299 |
0.6 | Remote Similarity | NPC148163 |
0.6 | Remote Similarity | NPC155880 |
0.6 | Remote Similarity | NPC130209 |
0.6 | Remote Similarity | NPC148216 |
0.6 | Remote Similarity | NPC87137 |
0.6 | Remote Similarity | NPC218525 |
0.6 | Remote Similarity | NPC474644 |
0.6 | Remote Similarity | NPC115959 |
0.6 | Remote Similarity | NPC123965 |
0.5968 | Remote Similarity | NPC73603 |
0.5965 | Remote Similarity | NPC471619 |
0.5962 | Remote Similarity | NPC267692 |
0.5962 | Remote Similarity | NPC473913 |
0.5962 | Remote Similarity | NPC474642 |
0.5962 | Remote Similarity | NPC249670 |
0.5962 | Remote Similarity | NPC131623 |
0.5962 | Remote Similarity | NPC225974 |
0.5962 | Remote Similarity | NPC307435 |
0.5962 | Remote Similarity | NPC20934 |
0.5962 | Remote Similarity | NPC288381 |
0.5957 | Remote Similarity | NPC221250 |
0.5952 | Remote Similarity | NPC266979 |
0.5952 | Remote Similarity | NPC213749 |
0.5932 | Remote Similarity | NPC64985 |
0.5932 | Remote Similarity | NPC225342 |
0.5932 | Remote Similarity | NPC207007 |
0.5932 | Remote Similarity | NPC68679 |
0.5932 | Remote Similarity | NPC469728 |
0.5932 | Remote Similarity | NPC321867 |
0.5932 | Remote Similarity | NPC210346 |
0.5918 | Remote Similarity | NPC108195 |
0.5909 | Remote Similarity | NPC282119 |
0.5902 | Remote Similarity | NPC308844 |
0.5893 | Remote Similarity | NPC249645 |
0.5893 | Remote Similarity | NPC4881 |
0.5893 | Remote Similarity | NPC473865 |
0.5893 | Remote Similarity | NPC474643 |
0.5893 | Remote Similarity | NPC55412 |
0.587 | Remote Similarity | NPC277382 |
0.587 | Remote Similarity | NPC171978 |
0.587 | Remote Similarity | NPC217923 |
0.5862 | Remote Similarity | NPC469321 |
0.5854 | Remote Similarity | NPC28077 |
0.5854 | Remote Similarity | NPC242117 |
0.5849 | Remote Similarity | NPC243539 |
0.5849 | Remote Similarity | NPC54542 |
0.5849 | Remote Similarity | NPC304223 |
0.5849 | Remote Similarity | NPC145032 |
0.5849 | Remote Similarity | NPC267340 |
0.5849 | Remote Similarity | NPC178586 |
0.5849 | Remote Similarity | NPC48162 |
0.5833 | Remote Similarity | NPC474480 |
0.5833 | Remote Similarity | NPC81615 |
0.5833 | Remote Similarity | NPC473508 |
0.5833 | Remote Similarity | NPC190049 |
0.5818 | Remote Similarity | NPC256209 |
0.5818 | Remote Similarity | NPC110732 |
0.5818 | Remote Similarity | NPC49059 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC56917 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 |
---|---|---|---|
0.6809 | Remote Similarity | NPD4265 | Approved |
0.64 | Remote Similarity | NPD4220 | Pre-registration |
0.6304 | Remote Similarity | NPD9301 | Approved |
0.6304 | Remote Similarity | NPD9300 | Approved |
0.6222 | Remote Similarity | NPD5783 | Phase 3 |
0.6042 | Remote Similarity | NPD5326 | Phase 3 |
0.6 | Remote Similarity | NPD342 | Phase 1 |
0.5932 | Remote Similarity | NPD368 | Approved |
0.5893 | Remote Similarity | NPD4219 | Approved |
0.58 | Remote Similarity | NPD4222 | Approved |
0.58 | Remote Similarity | NPD39 | Approved |
0.569 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
PubChem CID   | 76323864 |
ChEMBL   | CHEMBL2288244 |
ZINC   |
Molecular Weight:   | 140.12 |
ALogP:   | 2.0204 |
MLogP:   | 2.34 |
XLogP:   | 1.899 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 10 |