Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO15308 | Stigma croci | NA | NA | NA | HerDing* | |||
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | DOI[10.1002/hlca.19270100148] | |||
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruits |
PMID[23305920] |
||
NPO29645 | Gardeniae fructus | NA | NA | NA | TCMSP* | |||
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | TM-MC* | |||
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | TM-MC* | |||
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | TCMID* | |||
NPO15308 | Stigma croci | NA | NA | NA | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | IC50 | = | 140000 | nM | 12398542 |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 17782.8 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 21192.3 | nM | PubChem BioAssay data set | |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 100000 | nM | PubChem BioAssay data set | |
NPT445 | Individual Protein | Peripheral myelin protein 22 | Rattus norvegicus | Potency | 4.1 | nM | PubChem BioAssay data set | |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | > | 100000 | nM | 23305920 |
NPT3041 | Organism | Human enterovirus 71 | Human enterovirus 71 | Survival | >= | 80 | % | 23353754 |
NPT2 | Others | Unspecified | Potency | 33491.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 26806.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 13448.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 26603.2 | nM | PubChem BioAssay data set | ||
NPT261 | Individual Protein | Monoamine oxidase A | Homo sapiens | IC50 | = | 170000 | nM | 24904963 |
NPT582 | Individual Protein | Monoamine oxidase B | Homo sapiens | IC50 | = | 128000 | nM | 24904963 |
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 NPC110072 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 |
---|---|---|
0.9765 | High Similarity | NPC285588 |
0.9302 | High Similarity | NPC475186 |
0.9302 | High Similarity | NPC118077 |
0.8737 | High Similarity | NPC2313 |
0.8737 | High Similarity | NPC57586 |
0.8737 | High Similarity | NPC475655 |
0.8737 | High Similarity | NPC154132 |
0.8737 | High Similarity | NPC475157 |
0.8737 | High Similarity | NPC471637 |
0.8506 | High Similarity | NPC251026 |
0.8495 | Intermediate Similarity | NPC294293 |
0.8488 | Intermediate Similarity | NPC127295 |
0.8488 | Intermediate Similarity | NPC163362 |
0.8478 | Intermediate Similarity | NPC477349 |
0.8409 | Intermediate Similarity | NPC473315 |
0.8409 | Intermediate Similarity | NPC142111 |
0.8384 | Intermediate Similarity | NPC315070 |
0.8367 | Intermediate Similarity | NPC197736 |
0.8352 | Intermediate Similarity | NPC470137 |
0.8315 | Intermediate Similarity | NPC473308 |
0.8298 | Intermediate Similarity | NPC477345 |
0.8298 | Intermediate Similarity | NPC477348 |
0.8298 | Intermediate Similarity | NPC163409 |
0.8298 | Intermediate Similarity | NPC44682 |
0.8298 | Intermediate Similarity | NPC238264 |
0.8242 | Intermediate Similarity | NPC125142 |
0.8222 | Intermediate Similarity | NPC470124 |
0.8182 | Intermediate Similarity | NPC469469 |
0.8132 | Intermediate Similarity | NPC208473 |
0.8125 | Intermediate Similarity | NPC475375 |
0.8125 | Intermediate Similarity | NPC475525 |
0.8125 | Intermediate Similarity | NPC475540 |
0.8125 | Intermediate Similarity | NPC475241 |
0.8125 | Intermediate Similarity | NPC473605 |
0.8125 | Intermediate Similarity | NPC476066 |
0.8125 | Intermediate Similarity | NPC475593 |
0.8125 | Intermediate Similarity | NPC473765 |
0.8125 | Intermediate Similarity | NPC475164 |
0.8111 | Intermediate Similarity | NPC266718 |
0.8111 | Intermediate Similarity | NPC475035 |
0.8043 | Intermediate Similarity | NPC475037 |
0.8021 | Intermediate Similarity | NPC469543 |
0.8 | Intermediate Similarity | NPC320552 |
0.7979 | Intermediate Similarity | NPC473311 |
0.7979 | Intermediate Similarity | NPC327253 |
0.7917 | Intermediate Similarity | NPC159698 |
0.7857 | Intermediate Similarity | NPC475332 |
0.7835 | Intermediate Similarity | NPC170204 |
0.7826 | Intermediate Similarity | NPC475034 |
0.7812 | Intermediate Similarity | NPC472196 |
0.7812 | Intermediate Similarity | NPC238090 |
0.7812 | Intermediate Similarity | NPC472195 |
0.7708 | Intermediate Similarity | NPC477749 |
0.7708 | Intermediate Similarity | NPC476075 |
0.7708 | Intermediate Similarity | NPC476084 |
0.7692 | Intermediate Similarity | NPC193765 |
0.764 | Intermediate Similarity | NPC477314 |
0.7629 | Intermediate Similarity | NPC159092 |
0.7614 | Intermediate Similarity | NPC326661 |
0.7604 | Intermediate Similarity | NPC118078 |
0.7604 | Intermediate Similarity | NPC303451 |
0.7604 | Intermediate Similarity | NPC6414 |
0.7528 | Intermediate Similarity | NPC110813 |
0.7526 | Intermediate Similarity | NPC114172 |
0.7526 | Intermediate Similarity | NPC471324 |
0.7526 | Intermediate Similarity | NPC206679 |
0.75 | Intermediate Similarity | NPC477748 |
0.7453 | Intermediate Similarity | NPC133625 |
0.7449 | Intermediate Similarity | NPC109406 |
0.7449 | Intermediate Similarity | NPC61201 |
0.7449 | Intermediate Similarity | NPC320089 |
0.7444 | Intermediate Similarity | NPC133377 |
0.7426 | Intermediate Similarity | NPC198422 |
0.7426 | Intermediate Similarity | NPC40182 |
0.7423 | Intermediate Similarity | NPC202886 |
0.7419 | Intermediate Similarity | NPC38295 |
0.7419 | Intermediate Similarity | NPC470313 |
0.7419 | Intermediate Similarity | NPC156089 |
0.7419 | Intermediate Similarity | NPC473500 |
0.74 | Intermediate Similarity | NPC255410 |
0.7387 | Intermediate Similarity | NPC470515 |
0.7386 | Intermediate Similarity | NPC472173 |
0.7379 | Intermediate Similarity | NPC222062 |
0.7379 | Intermediate Similarity | NPC201191 |
0.7347 | Intermediate Similarity | NPC472124 |
0.7347 | Intermediate Similarity | NPC472125 |
0.7347 | Intermediate Similarity | NPC469410 |
0.7347 | Intermediate Similarity | NPC472126 |
0.734 | Intermediate Similarity | NPC288471 |
0.7333 | Intermediate Similarity | NPC476740 |
0.7333 | Intermediate Similarity | NPC82251 |
0.7333 | Intermediate Similarity | NPC476738 |
0.7327 | Intermediate Similarity | NPC120299 |
0.7321 | Intermediate Similarity | NPC470915 |
0.7321 | Intermediate Similarity | NPC470517 |
0.7321 | Intermediate Similarity | NPC470911 |
0.7308 | Intermediate Similarity | NPC474581 |
0.7308 | Intermediate Similarity | NPC473816 |
0.7308 | Intermediate Similarity | NPC118761 |
0.7308 | Intermediate Similarity | NPC197541 |
0.7308 | Intermediate Similarity | NPC284929 |
0.7308 | Intermediate Similarity | NPC475367 |
0.7308 | Intermediate Similarity | NPC309398 |
0.7308 | Intermediate Similarity | NPC234304 |
0.7308 | Intermediate Similarity | NPC267869 |
0.73 | Intermediate Similarity | NPC300710 |
0.7292 | Intermediate Similarity | NPC316138 |
0.7292 | Intermediate Similarity | NPC313658 |
0.7283 | Intermediate Similarity | NPC133226 |
0.7283 | Intermediate Similarity | NPC470147 |
0.7265 | Intermediate Similarity | NPC162925 |
0.7265 | Intermediate Similarity | NPC87153 |
0.7257 | Intermediate Similarity | NPC135369 |
0.7255 | Intermediate Similarity | NPC475653 |
0.7255 | Intermediate Similarity | NPC203627 |
0.7245 | Intermediate Similarity | NPC307699 |
0.7241 | Intermediate Similarity | NPC474078 |
0.7228 | Intermediate Similarity | NPC143446 |
0.7228 | Intermediate Similarity | NPC173329 |
0.7228 | Intermediate Similarity | NPC288350 |
0.7222 | Intermediate Similarity | NPC229655 |
0.7204 | Intermediate Similarity | NPC236649 |
0.7204 | Intermediate Similarity | NPC21693 |
0.7203 | Intermediate Similarity | NPC77651 |
0.7203 | Intermediate Similarity | NPC28069 |
0.72 | Intermediate Similarity | NPC256368 |
0.7196 | Intermediate Similarity | NPC473807 |
0.7191 | Intermediate Similarity | NPC477309 |
0.7191 | Intermediate Similarity | NPC477316 |
0.7191 | Intermediate Similarity | NPC477308 |
0.7191 | Intermediate Similarity | NPC477315 |
0.7191 | Intermediate Similarity | NPC477304 |
0.7191 | Intermediate Similarity | NPC477312 |
0.7191 | Intermediate Similarity | NPC477305 |
0.7191 | Intermediate Similarity | NPC477313 |
0.7182 | Intermediate Similarity | NPC473159 |
0.7174 | Intermediate Similarity | NPC180725 |
0.7174 | Intermediate Similarity | NPC470149 |
0.7174 | Intermediate Similarity | NPC470148 |
0.7155 | Intermediate Similarity | NPC471090 |
0.7143 | Intermediate Similarity | NPC198918 |
0.7143 | Intermediate Similarity | NPC290276 |
0.7143 | Intermediate Similarity | NPC124878 |
0.7143 | Intermediate Similarity | NPC10883 |
0.7143 | Intermediate Similarity | NPC475711 |
0.7143 | Intermediate Similarity | NPC204214 |
0.7143 | Intermediate Similarity | NPC92283 |
0.7143 | Intermediate Similarity | NPC63404 |
0.7143 | Intermediate Similarity | NPC35338 |
0.7143 | Intermediate Similarity | NPC10121 |
0.7143 | Intermediate Similarity | NPC147032 |
0.7143 | Intermediate Similarity | NPC231888 |
0.7143 | Intermediate Similarity | NPC474026 |
0.7115 | Intermediate Similarity | NPC198992 |
0.7115 | Intermediate Similarity | NPC476611 |
0.7113 | Intermediate Similarity | NPC199382 |
0.7111 | Intermediate Similarity | NPC477306 |
0.7094 | Intermediate Similarity | NPC297950 |
0.7094 | Intermediate Similarity | NPC179261 |
0.7091 | Intermediate Similarity | NPC470825 |
0.7083 | Intermediate Similarity | NPC471025 |
0.7079 | Intermediate Similarity | NPC477311 |
0.7079 | Intermediate Similarity | NPC132938 |
0.7079 | Intermediate Similarity | NPC477303 |
0.7079 | Intermediate Similarity | NPC55652 |
0.7071 | Intermediate Similarity | NPC470573 |
0.7071 | Intermediate Similarity | NPC120021 |
0.7071 | Intermediate Similarity | NPC270908 |
0.7071 | Intermediate Similarity | NPC231710 |
0.7071 | Intermediate Similarity | NPC65665 |
0.7071 | Intermediate Similarity | NPC216826 |
0.7071 | Intermediate Similarity | NPC117596 |
0.7065 | Intermediate Similarity | NPC248775 |
0.7059 | Intermediate Similarity | NPC306041 |
0.7048 | Intermediate Similarity | NPC195510 |
0.7048 | Intermediate Similarity | NPC473596 |
0.7048 | Intermediate Similarity | NPC13171 |
0.7045 | Intermediate Similarity | NPC476012 |
0.7045 | Intermediate Similarity | NPC52268 |
0.7045 | Intermediate Similarity | NPC53760 |
0.7043 | Intermediate Similarity | NPC183353 |
0.7043 | Intermediate Similarity | NPC469812 |
0.7041 | Intermediate Similarity | NPC248312 |
0.7037 | Intermediate Similarity | NPC219900 |
0.7037 | Intermediate Similarity | NPC392 |
0.7037 | Intermediate Similarity | NPC177524 |
0.703 | Intermediate Similarity | NPC2003 |
0.703 | Intermediate Similarity | NPC25701 |
0.703 | Intermediate Similarity | NPC472198 |
0.7025 | Intermediate Similarity | NPC471024 |
0.7021 | Intermediate Similarity | NPC280367 |
0.7019 | Intermediate Similarity | NPC22149 |
0.7019 | Intermediate Similarity | NPC255677 |
0.7019 | Intermediate Similarity | NPC306344 |
0.7018 | Intermediate Similarity | NPC470914 |
0.701 | Intermediate Similarity | NPC47937 |
0.7009 | Intermediate Similarity | NPC239961 |
0.7 | Intermediate Similarity | NPC126897 |
0.7 | Intermediate Similarity | NPC472197 |
0.7 | Intermediate Similarity | NPC107654 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC110072 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 |
---|---|---|---|
0.76 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.7245 | Intermediate Similarity | NPD7838 | Discovery |
0.7043 | Intermediate Similarity | NPD8517 | Approved |
0.7043 | Intermediate Similarity | NPD8516 | Approved |
0.7043 | Intermediate Similarity | NPD8515 | Approved |
0.7037 | Intermediate Similarity | NPD6686 | Approved |
0.7 | Intermediate Similarity | NPD8413 | Clinical (unspecified phase) |
0.6897 | Remote Similarity | NPD8513 | Phase 3 |
0.6752 | Remote Similarity | NPD7503 | Approved |
0.6733 | Remote Similarity | NPD6698 | Approved |
0.6733 | Remote Similarity | NPD46 | Approved |
0.6667 | Remote Similarity | NPD8377 | Approved |
0.6667 | Remote Similarity | NPD8294 | Approved |
0.6639 | Remote Similarity | NPD7830 | Approved |
0.6639 | Remote Similarity | NPD7829 | Approved |
0.661 | Remote Similarity | NPD8296 | Approved |
0.661 | Remote Similarity | NPD8335 | Approved |
0.661 | Remote Similarity | NPD8379 | Approved |
0.661 | Remote Similarity | NPD8380 | Approved |
0.661 | Remote Similarity | NPD8378 | Approved |
0.6588 | Remote Similarity | NPD6123 | Approved |
0.6471 | Remote Similarity | NPD8033 | Approved |
0.6458 | Remote Similarity | NPD7329 | Approved |
0.6356 | Remote Similarity | NPD7328 | Approved |
0.6356 | Remote Similarity | NPD7327 | Approved |
0.6346 | Remote Similarity | NPD7983 | Approved |
0.6303 | Remote Similarity | NPD7516 | Approved |
0.6293 | Remote Similarity | NPD8133 | Approved |
0.621 | Remote Similarity | NPD8448 | Approved |
0.6198 | Remote Similarity | NPD8444 | Approved |
0.619 | Remote Similarity | NPD8392 | Approved |
0.619 | Remote Similarity | NPD8391 | Approved |
0.619 | Remote Similarity | NPD8390 | Approved |
0.6139 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6129 | Remote Similarity | NPD8451 | Approved |
0.6129 | Remote Similarity | NPD7507 | Approved |
0.6098 | Remote Similarity | NPD8328 | Phase 3 |
0.6095 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.6083 | Remote Similarity | NPD7641 | Discontinued |
0.608 | Remote Similarity | NPD8074 | Phase 3 |
0.6053 | Remote Similarity | NPD6412 | Phase 2 |
0.6036 | Remote Similarity | NPD5344 | Discontinued |
0.5984 | Remote Similarity | NPD7319 | Approved |
0.5963 | Remote Similarity | NPD7839 | Suspended |
0.5946 | Remote Similarity | NPD6648 | Approved |
0.5932 | Remote Similarity | NPD6429 | Approved |
0.5932 | Remote Similarity | NPD6430 | Approved |
0.592 | Remote Similarity | NPD8340 | Approved |
0.592 | Remote Similarity | NPD8341 | Approved |
0.592 | Remote Similarity | NPD8299 | Approved |
0.592 | Remote Similarity | NPD8342 | Approved |
0.5882 | Remote Similarity | NPD7266 | Discontinued |
0.5882 | Remote Similarity | NPD7346 | Approved |
0.584 | Remote Similarity | NPD7642 | Approved |
0.5812 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD1407 | Approved |
0.5789 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.5776 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD892 | Phase 3 |
0.5765 | Remote Similarity | NPD893 | Approved |
0.5765 | Remote Similarity | NPD888 | Phase 3 |
0.5765 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD891 | Phase 3 |
0.567 | Remote Similarity | NPD3181 | Approved |
0.5667 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5647 | Remote Similarity | NPD2269 | Approved |
0.561 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
PubChem CID   | 5281233 |
ChEMBL   | CHEMBL446785 |
ZINC   |
Molecular Weight:   | 976.38 |
ALogP:   | -2.722 |
MLogP:   | 3.66 |
XLogP:   | -1.214 |
# Rotatable Bonds:   | 38 |
Polar Surface Area:   | 391.2 |
# H-Bond Aceptor:   | 24 |
# H-Bond Donor:   | 14 |
# Rings:   | 4 |
# Heavy Atoms:   | 68 |