Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota |
PMID[25518943] |
|||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | TM-MC* | |||
NPO10021 | Nerium oleander | Species | Apocynaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 61659.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 69.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27306 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 38.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 19.5 | nM | PubChem BioAssay data set | ||
NPT74 | Individual Protein | Proto-oncogene c-JUN | Homo sapiens | Potency | 61644.8 | 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 NPC177022 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 |
---|---|---|
0.9444 | High Similarity | NPC221022 |
0.9118 | High Similarity | NPC283682 |
0.8684 | High Similarity | NPC160261 |
0.8684 | High Similarity | NPC469759 |
0.8235 | Intermediate Similarity | NPC236797 |
0.8235 | Intermediate Similarity | NPC185041 |
0.8235 | Intermediate Similarity | NPC112242 |
0.8235 | Intermediate Similarity | NPC147096 |
0.8235 | Intermediate Similarity | NPC163556 |
0.8235 | Intermediate Similarity | NPC24506 |
0.8235 | Intermediate Similarity | NPC225783 |
0.8108 | Intermediate Similarity | NPC61665 |
0.8108 | Intermediate Similarity | NPC328441 |
0.8095 | Intermediate Similarity | NPC473914 |
0.8095 | Intermediate Similarity | NPC87439 |
0.8049 | Intermediate Similarity | NPC144891 |
0.8 | Intermediate Similarity | NPC126915 |
0.7907 | Intermediate Similarity | NPC84030 |
0.7907 | Intermediate Similarity | NPC176309 |
0.7907 | Intermediate Similarity | NPC198540 |
0.7907 | Intermediate Similarity | NPC147343 |
0.7907 | Intermediate Similarity | NPC287550 |
0.7907 | Intermediate Similarity | NPC223468 |
0.7857 | Intermediate Similarity | NPC215358 |
0.7778 | Intermediate Similarity | NPC291158 |
0.7778 | Intermediate Similarity | NPC319034 |
0.7778 | Intermediate Similarity | NPC72324 |
0.7778 | Intermediate Similarity | NPC272998 |
0.7778 | Intermediate Similarity | NPC1748 |
0.7778 | Intermediate Similarity | NPC193062 |
0.7778 | Intermediate Similarity | NPC185538 |
0.7778 | Intermediate Similarity | NPC139131 |
0.7778 | Intermediate Similarity | NPC181516 |
0.7778 | Intermediate Similarity | NPC66124 |
0.7778 | Intermediate Similarity | NPC205141 |
0.7647 | Intermediate Similarity | NPC279895 |
0.75 | Intermediate Similarity | NPC122962 |
0.75 | Intermediate Similarity | NPC267243 |
0.7368 | Intermediate Similarity | NPC97967 |
0.7353 | Intermediate Similarity | NPC276332 |
0.7353 | Intermediate Similarity | NPC39869 |
0.7333 | Intermediate Similarity | NPC314087 |
0.7297 | Intermediate Similarity | NPC152759 |
0.7297 | Intermediate Similarity | NPC12231 |
0.725 | Intermediate Similarity | NPC469712 |
0.725 | Intermediate Similarity | NPC469714 |
0.725 | Intermediate Similarity | NPC473568 |
0.7179 | Intermediate Similarity | NPC474914 |
0.7179 | Intermediate Similarity | NPC474392 |
0.7045 | Intermediate Similarity | NPC240994 |
0.7 | Intermediate Similarity | NPC74352 |
0.6977 | Remote Similarity | NPC474125 |
0.6977 | Remote Similarity | NPC474126 |
0.6944 | Remote Similarity | NPC110884 |
0.6939 | Remote Similarity | NPC161473 |
0.6889 | Remote Similarity | NPC108441 |
0.6889 | Remote Similarity | NPC314679 |
0.6889 | Remote Similarity | NPC77550 |
0.6875 | Remote Similarity | NPC307022 |
0.68 | Remote Similarity | NPC286752 |
0.68 | Remote Similarity | NPC53209 |
0.6765 | Remote Similarity | NPC275462 |
0.6739 | Remote Similarity | NPC14552 |
0.6667 | Remote Similarity | NPC471269 |
0.6667 | Remote Similarity | NPC178223 |
0.6667 | Remote Similarity | NPC55023 |
0.6667 | Remote Similarity | NPC67508 |
0.6667 | Remote Similarity | NPC283655 |
0.6667 | Remote Similarity | NPC52362 |
0.6667 | Remote Similarity | NPC313795 |
0.6667 | Remote Similarity | NPC159845 |
0.6667 | Remote Similarity | NPC277917 |
0.6667 | Remote Similarity | NPC166894 |
0.6667 | Remote Similarity | NPC84824 |
0.6667 | Remote Similarity | NPC89069 |
0.6596 | Remote Similarity | NPC477878 |
0.6596 | Remote Similarity | NPC324793 |
0.6538 | Remote Similarity | NPC24443 |
0.6522 | Remote Similarity | NPC210560 |
0.6522 | Remote Similarity | NPC165651 |
0.6522 | Remote Similarity | NPC24824 |
0.6471 | Remote Similarity | NPC256186 |
0.6471 | Remote Similarity | NPC23071 |
0.6458 | Remote Similarity | NPC95969 |
0.6458 | Remote Similarity | NPC127997 |
0.6458 | Remote Similarity | NPC316035 |
0.6458 | Remote Similarity | NPC294858 |
0.6429 | Remote Similarity | NPC197039 |
0.6429 | Remote Similarity | NPC316546 |
0.6415 | Remote Similarity | NPC135438 |
0.6415 | Remote Similarity | NPC236588 |
0.6415 | Remote Similarity | NPC150713 |
0.6415 | Remote Similarity | NPC322148 |
0.6415 | Remote Similarity | NPC119425 |
0.6415 | Remote Similarity | NPC291147 |
0.6415 | Remote Similarity | NPC29976 |
0.6383 | Remote Similarity | NPC21844 |
0.6364 | Remote Similarity | NPC325452 |
0.6364 | Remote Similarity | NPC248763 |
0.6327 | Remote Similarity | NPC131623 |
0.6296 | Remote Similarity | NPC87296 |
0.6296 | Remote Similarity | NPC475515 |
0.6296 | Remote Similarity | NPC475830 |
0.6296 | Remote Similarity | NPC47663 |
0.6296 | Remote Similarity | NPC10017 |
0.6296 | Remote Similarity | NPC215671 |
0.6296 | Remote Similarity | NPC476735 |
0.6286 | Remote Similarity | NPC213764 |
0.6279 | Remote Similarity | NPC471282 |
0.6279 | Remote Similarity | NPC3531 |
0.625 | Remote Similarity | NPC100445 |
0.625 | Remote Similarity | NPC13105 |
0.6216 | Remote Similarity | NPC223195 |
0.6182 | Remote Similarity | NPC475968 |
0.6182 | Remote Similarity | NPC122239 |
0.6182 | Remote Similarity | NPC185116 |
0.6176 | Remote Similarity | NPC52403 |
0.6154 | Remote Similarity | NPC272426 |
0.6136 | Remote Similarity | NPC152008 |
0.6111 | Remote Similarity | NPC560 |
0.6087 | Remote Similarity | NPC15162 |
0.6087 | Remote Similarity | NPC252978 |
0.6087 | Remote Similarity | NPC302939 |
0.6087 | Remote Similarity | NPC287331 |
0.6087 | Remote Similarity | NPC76051 |
0.6071 | Remote Similarity | NPC240506 |
0.6071 | Remote Similarity | NPC475412 |
0.6038 | Remote Similarity | NPC130209 |
0.6038 | Remote Similarity | NPC148163 |
0.6038 | Remote Similarity | NPC148216 |
0.6 | Remote Similarity | NPC142103 |
0.6 | Remote Similarity | NPC305182 |
0.5965 | Remote Similarity | NPC172622 |
0.5965 | Remote Similarity | NPC185547 |
0.5965 | Remote Similarity | NPC147524 |
0.5965 | Remote Similarity | NPC95804 |
0.5965 | Remote Similarity | NPC475807 |
0.5965 | Remote Similarity | NPC225342 |
0.5965 | Remote Similarity | NPC218585 |
0.5965 | Remote Similarity | NPC71460 |
0.5965 | Remote Similarity | NPC148174 |
0.5962 | Remote Similarity | NPC72722 |
0.5962 | Remote Similarity | NPC102336 |
0.5962 | Remote Similarity | NPC192962 |
0.5962 | Remote Similarity | NPC36002 |
0.5957 | Remote Similarity | NPC62014 |
0.5957 | Remote Similarity | NPC469781 |
0.5893 | Remote Similarity | NPC475821 |
0.5893 | Remote Similarity | NPC470363 |
0.5882 | Remote Similarity | NPC274261 |
0.5882 | Remote Similarity | NPC291724 |
0.5882 | Remote Similarity | NPC88839 |
0.5882 | Remote Similarity | NPC251335 |
0.587 | Remote Similarity | NPC222078 |
0.587 | Remote Similarity | NPC82843 |
0.5862 | Remote Similarity | NPC474155 |
0.5862 | Remote Similarity | NPC211291 |
0.5862 | Remote Similarity | NPC133368 |
0.5862 | Remote Similarity | NPC209686 |
0.5862 | Remote Similarity | NPC473759 |
0.5862 | Remote Similarity | NPC473508 |
0.5862 | Remote Similarity | NPC236099 |
0.5862 | Remote Similarity | NPC290791 |
0.5862 | Remote Similarity | NPC114891 |
0.5862 | Remote Similarity | NPC279200 |
0.5862 | Remote Similarity | NPC249078 |
0.5862 | Remote Similarity | NPC292419 |
0.5854 | Remote Similarity | NPC474089 |
0.5854 | Remote Similarity | NPC474120 |
0.5854 | Remote Similarity | NPC139569 |
0.5849 | Remote Similarity | NPC32222 |
0.5849 | Remote Similarity | NPC202146 |
0.5833 | Remote Similarity | NPC30195 |
0.5833 | Remote Similarity | NPC172053 |
0.5833 | Remote Similarity | NPC190797 |
0.5833 | Remote Similarity | NPC232554 |
0.5833 | Remote Similarity | NPC76976 |
0.5833 | Remote Similarity | NPC12438 |
0.5814 | Remote Similarity | NPC277333 |
0.5814 | Remote Similarity | NPC69245 |
0.5789 | Remote Similarity | NPC112398 |
0.5789 | Remote Similarity | NPC325345 |
0.5789 | Remote Similarity | NPC99487 |
0.5789 | Remote Similarity | NPC66020 |
0.5769 | Remote Similarity | NPC306195 |
0.5769 | Remote Similarity | NPC179169 |
0.5769 | Remote Similarity | NPC181255 |
0.5769 | Remote Similarity | NPC35519 |
0.5769 | Remote Similarity | NPC244869 |
0.5769 | Remote Similarity | NPC300235 |
0.5769 | Remote Similarity | NPC476136 |
0.5769 | Remote Similarity | NPC157781 |
0.5769 | Remote Similarity | NPC476149 |
0.5763 | Remote Similarity | NPC290367 |
0.5763 | Remote Similarity | NPC199937 |
0.5763 | Remote Similarity | NPC159654 |
0.5763 | Remote Similarity | NPC167995 |
0.5763 | Remote Similarity | NPC69149 |
0.5763 | Remote Similarity | NPC309300 |
0.5763 | Remote Similarity | NPC68656 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC177022 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 |
---|---|---|---|
0.7907 | Intermediate Similarity | NPD385 | Approved |
0.7907 | Intermediate Similarity | NPD384 | Approved |
0.7778 | Intermediate Similarity | NPD2272 | Approved |
0.7778 | Intermediate Similarity | NPD5383 | Approved |
0.7381 | Intermediate Similarity | NPD1462 | Approved |
0.7317 | Intermediate Similarity | NPD1460 | Approved |
0.6889 | Remote Similarity | NPD388 | Approved |
0.6889 | Remote Similarity | NPD634 | Phase 3 |
0.6889 | Remote Similarity | NPD386 | Approved |
0.6279 | Remote Similarity | NPD9450 | Approved |
0.6279 | Remote Similarity | NPD77 | Approved |
0.6182 | Remote Similarity | NPD3198 | Approved |
0.6154 | Remote Similarity | NPD907 | Approved |
0.6154 | Remote Similarity | NPD1461 | Approved |
0.6154 | Remote Similarity | NPD908 | Approved |
0.6154 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6136 | Remote Similarity | NPD7536 | Approved |
0.6087 | Remote Similarity | NPD367 | Approved |
0.6078 | Remote Similarity | NPD3186 | Phase 1 |
0.6038 | Remote Similarity | NPD342 | Phase 1 |
0.5909 | Remote Similarity | NPD9453 | Phase 3 |
0.5882 | Remote Similarity | NPD7348 | Clinical (unspecified phase) |
0.5849 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD8988 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD371 | Approved |
0.5763 | Remote Similarity | NPD7909 | Approved |
0.5714 | Remote Similarity | NPD3211 | Approved |
0.5667 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD9426 | Discontinued |
PubChem CID   | 19800 |
ChEMBL   | CHEMBL3183262 |
ZINC   |
Molecular Weight:   | 186.20 |
ALogP:   | -1.869 |
MLogP:   | 2.67 |
XLogP:   | 5.131 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 13 |