Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[20809147] |
||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | HerDing* | |||
NPO27558 | Podocarpus macrophyllus | Species | Podocarpaceae | Eukaryota | HerDing* | |||
NPO23548 | Leonurus japonicus | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13989 | Uncaria macrophylla | Species | Rubiaceae | Eukaryota | TCMID* | |||
NPO27558 | Podocarpus macrophyllus | Species | Podocarpaceae | Eukaryota | TCMID* | |||
NPO8108.1 | Citrullus lanatus subsp. vulgaris | Subspecies | Cucurbitaceae | Eukaryota | TCMID* | |||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT858 | Cell Line | LNCaP | Homo sapiens | IC50 | = | 151000 | nM | 19138519 |
NPT1280 | Organism | Thrips tabaci | Thrips tabaci | Ratio | = | 1.3 | 17602496 | |
NPT1281 | Organism | Thrips obscuratus | Thrips obscuratus | Ratio | = | 0 | 17602496 | |
NPT1281 | Organism | Thrips obscuratus | Thrips obscuratus | Ratio | = | 1.8 | 17602496 | |
NPT2 | Others | Unspecified | Potency | 436.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27306 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 44668.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 275.4 | nM | PubChem BioAssay data set | ||
NPT603 | Individual Protein | Olfactory receptor 5K1 | Homo sapiens | Inhibition | >= | 75 | % | Patent: WO2013171535 A3 |
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 NPC14002 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 |
---|---|---|
0.98 | High Similarity | NPC5626 |
0.96 | High Similarity | NPC23117 |
0.9074 | High Similarity | NPC311852 |
0.8727 | High Similarity | NPC60772 |
0.8491 | Intermediate Similarity | NPC295777 |
0.8491 | Intermediate Similarity | NPC69898 |
0.8148 | Intermediate Similarity | NPC37644 |
0.8136 | Intermediate Similarity | NPC288253 |
0.8113 | Intermediate Similarity | NPC64866 |
0.8103 | Intermediate Similarity | NPC127582 |
0.807 | Intermediate Similarity | NPC308108 |
0.807 | Intermediate Similarity | NPC170799 |
0.8033 | Intermediate Similarity | NPC176171 |
0.8033 | Intermediate Similarity | NPC92327 |
0.8 | Intermediate Similarity | NPC212210 |
0.7966 | Intermediate Similarity | NPC213152 |
0.7925 | Intermediate Similarity | NPC118788 |
0.7925 | Intermediate Similarity | NPC32351 |
0.7925 | Intermediate Similarity | NPC163984 |
0.7925 | Intermediate Similarity | NPC176819 |
0.7925 | Intermediate Similarity | NPC58970 |
0.7925 | Intermediate Similarity | NPC228776 |
0.7903 | Intermediate Similarity | NPC176107 |
0.7869 | Intermediate Similarity | NPC251118 |
0.7818 | Intermediate Similarity | NPC268564 |
0.78 | Intermediate Similarity | NPC216921 |
0.7778 | Intermediate Similarity | NPC188292 |
0.7778 | Intermediate Similarity | NPC117804 |
0.7778 | Intermediate Similarity | NPC260474 |
0.7778 | Intermediate Similarity | NPC87141 |
0.7705 | Intermediate Similarity | NPC285371 |
0.7705 | Intermediate Similarity | NPC475124 |
0.7705 | Intermediate Similarity | NPC6697 |
0.7656 | Intermediate Similarity | NPC256846 |
0.7627 | Intermediate Similarity | NPC276764 |
0.7627 | Intermediate Similarity | NPC472304 |
0.7619 | Intermediate Similarity | NPC475523 |
0.7586 | Intermediate Similarity | NPC281986 |
0.7586 | Intermediate Similarity | NPC22019 |
0.7586 | Intermediate Similarity | NPC208749 |
0.7586 | Intermediate Similarity | NPC321568 |
0.7586 | Intermediate Similarity | NPC115385 |
0.7541 | Intermediate Similarity | NPC165695 |
0.7541 | Intermediate Similarity | NPC202118 |
0.7541 | Intermediate Similarity | NPC197238 |
0.75 | Intermediate Similarity | NPC166788 |
0.75 | Intermediate Similarity | NPC310992 |
0.75 | Intermediate Similarity | NPC155198 |
0.7458 | Intermediate Similarity | NPC56905 |
0.7458 | Intermediate Similarity | NPC27610 |
0.7424 | Intermediate Similarity | NPC54123 |
0.7424 | Intermediate Similarity | NPC95863 |
0.7419 | Intermediate Similarity | NPC469662 |
0.7414 | Intermediate Similarity | NPC473733 |
0.7385 | Intermediate Similarity | NPC136473 |
0.7358 | Intermediate Similarity | NPC8610 |
0.7358 | Intermediate Similarity | NPC262558 |
0.7347 | Intermediate Similarity | NPC217923 |
0.7333 | Intermediate Similarity | NPC96551 |
0.7333 | Intermediate Similarity | NPC285594 |
0.7313 | Intermediate Similarity | NPC251705 |
0.7313 | Intermediate Similarity | NPC470044 |
0.7313 | Intermediate Similarity | NPC470045 |
0.7313 | Intermediate Similarity | NPC276336 |
0.7302 | Intermediate Similarity | NPC470329 |
0.7273 | Intermediate Similarity | NPC265782 |
0.7273 | Intermediate Similarity | NPC251929 |
0.7273 | Intermediate Similarity | NPC2634 |
0.7258 | Intermediate Similarity | NPC32285 |
0.7241 | Intermediate Similarity | NPC200258 |
0.7222 | Intermediate Similarity | NPC91962 |
0.7213 | Intermediate Similarity | NPC25853 |
0.7206 | Intermediate Similarity | NPC309852 |
0.7193 | Intermediate Similarity | NPC296311 |
0.717 | Intermediate Similarity | NPC13991 |
0.717 | Intermediate Similarity | NPC114239 |
0.717 | Intermediate Similarity | NPC191337 |
0.717 | Intermediate Similarity | NPC86683 |
0.717 | Intermediate Similarity | NPC241784 |
0.7167 | Intermediate Similarity | NPC266295 |
0.7167 | Intermediate Similarity | NPC94991 |
0.7167 | Intermediate Similarity | NPC30215 |
0.7164 | Intermediate Similarity | NPC5701 |
0.7164 | Intermediate Similarity | NPC474562 |
0.7164 | Intermediate Similarity | NPC225467 |
0.7164 | Intermediate Similarity | NPC234707 |
0.7164 | Intermediate Similarity | NPC115023 |
0.7143 | Intermediate Similarity | NPC52449 |
0.7143 | Intermediate Similarity | NPC169275 |
0.7143 | Intermediate Similarity | NPC4638 |
0.7121 | Intermediate Similarity | NPC139397 |
0.7101 | Intermediate Similarity | NPC293803 |
0.7101 | Intermediate Similarity | NPC476346 |
0.7097 | Intermediate Similarity | NPC60565 |
0.7077 | Intermediate Similarity | NPC290350 |
0.7077 | Intermediate Similarity | NPC4370 |
0.7059 | Intermediate Similarity | NPC153660 |
0.7059 | Intermediate Similarity | NPC474228 |
0.7059 | Intermediate Similarity | NPC303613 |
0.7059 | Intermediate Similarity | NPC186042 |
0.7049 | Intermediate Similarity | NPC259261 |
0.7037 | Intermediate Similarity | NPC14917 |
0.7037 | Intermediate Similarity | NPC236355 |
0.7037 | Intermediate Similarity | NPC4079 |
0.7015 | Intermediate Similarity | NPC260040 |
0.7015 | Intermediate Similarity | NPC159577 |
0.7015 | Intermediate Similarity | NPC35734 |
0.7015 | Intermediate Similarity | NPC282593 |
0.7015 | Intermediate Similarity | NPC307176 |
0.7 | Intermediate Similarity | NPC69408 |
0.7 | Intermediate Similarity | NPC474463 |
0.7 | Intermediate Similarity | NPC192427 |
0.7 | Intermediate Similarity | NPC1254 |
0.6981 | Remote Similarity | NPC25771 |
0.6981 | Remote Similarity | NPC477686 |
0.6964 | Remote Similarity | NPC116906 |
0.6964 | Remote Similarity | NPC15325 |
0.6957 | Remote Similarity | NPC474796 |
0.6957 | Remote Similarity | NPC329866 |
0.6957 | Remote Similarity | NPC474797 |
0.6923 | Remote Similarity | NPC242945 |
0.6923 | Remote Similarity | NPC323005 |
0.6923 | Remote Similarity | NPC259156 |
0.6912 | Remote Similarity | NPC21944 |
0.6912 | Remote Similarity | NPC181204 |
0.6912 | Remote Similarity | NPC305501 |
0.6912 | Remote Similarity | NPC190035 |
0.6909 | Remote Similarity | NPC124851 |
0.6866 | Remote Similarity | NPC182815 |
0.6863 | Remote Similarity | NPC183670 |
0.6863 | Remote Similarity | NPC111474 |
0.6857 | Remote Similarity | NPC473171 |
0.6852 | Remote Similarity | NPC296337 |
0.6842 | Remote Similarity | NPC27438 |
0.6842 | Remote Similarity | NPC236623 |
0.6825 | Remote Similarity | NPC228574 |
0.6825 | Remote Similarity | NPC294304 |
0.6825 | Remote Similarity | NPC469728 |
0.6825 | Remote Similarity | NPC317025 |
0.6825 | Remote Similarity | NPC329416 |
0.6825 | Remote Similarity | NPC475795 |
0.6825 | Remote Similarity | NPC326645 |
0.6825 | Remote Similarity | NPC97322 |
0.6825 | Remote Similarity | NPC317177 |
0.6812 | Remote Similarity | NPC29542 |
0.6812 | Remote Similarity | NPC130016 |
0.6812 | Remote Similarity | NPC323437 |
0.6812 | Remote Similarity | NPC201562 |
0.6812 | Remote Similarity | NPC180015 |
0.6812 | Remote Similarity | NPC56747 |
0.6812 | Remote Similarity | NPC109576 |
0.6806 | Remote Similarity | NPC105197 |
0.6792 | Remote Similarity | NPC301972 |
0.6792 | Remote Similarity | NPC292463 |
0.6786 | Remote Similarity | NPC17518 |
0.678 | Remote Similarity | NPC100809 |
0.678 | Remote Similarity | NPC209431 |
0.6769 | Remote Similarity | NPC107258 |
0.6765 | Remote Similarity | NPC246722 |
0.6765 | Remote Similarity | NPC151045 |
0.6761 | Remote Similarity | NPC469793 |
0.6761 | Remote Similarity | NPC26504 |
0.6761 | Remote Similarity | NPC470525 |
0.6761 | Remote Similarity | NPC469796 |
0.6731 | Remote Similarity | NPC144023 |
0.6727 | Remote Similarity | NPC100380 |
0.6724 | Remote Similarity | NPC471751 |
0.6721 | Remote Similarity | NPC267626 |
0.6721 | Remote Similarity | NPC49575 |
0.6721 | Remote Similarity | NPC55004 |
0.6721 | Remote Similarity | NPC230823 |
0.6721 | Remote Similarity | NPC193695 |
0.6719 | Remote Similarity | NPC472306 |
0.6719 | Remote Similarity | NPC167256 |
0.6716 | Remote Similarity | NPC142754 |
0.6716 | Remote Similarity | NPC82477 |
0.6716 | Remote Similarity | NPC296697 |
0.6716 | Remote Similarity | NPC39157 |
0.6716 | Remote Similarity | NPC20610 |
0.6714 | Remote Similarity | NPC215050 |
0.6714 | Remote Similarity | NPC255021 |
0.6714 | Remote Similarity | NPC22134 |
0.6714 | Remote Similarity | NPC20025 |
0.6712 | Remote Similarity | NPC19900 |
0.6712 | Remote Similarity | NPC190211 |
0.6667 | Remote Similarity | NPC176621 |
0.6667 | Remote Similarity | NPC202189 |
0.6667 | Remote Similarity | NPC185587 |
0.6667 | Remote Similarity | NPC470078 |
0.6667 | Remote Similarity | NPC275472 |
0.6667 | Remote Similarity | NPC248411 |
0.6667 | Remote Similarity | NPC97377 |
0.6667 | Remote Similarity | NPC135648 |
0.6667 | Remote Similarity | NPC267514 |
0.6667 | Remote Similarity | NPC133253 |
0.6667 | Remote Similarity | NPC145755 |
0.6667 | Remote Similarity | NPC255781 |
0.6667 | Remote Similarity | NPC304983 |
0.6667 | Remote Similarity | NPC474539 |
0.6667 | Remote Similarity | NPC181587 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC14002 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 |
---|---|---|---|
0.807 | Intermediate Similarity | NPD287 | Approved |
0.7273 | Intermediate Similarity | NPD4691 | Approved |
0.7206 | Intermediate Similarity | NPD4058 | Approved |
0.7121 | Intermediate Similarity | NPD4137 | Phase 3 |
0.7015 | Intermediate Similarity | NPD4747 | Approved |
0.6957 | Remote Similarity | NPD4687 | Approved |
0.6912 | Remote Similarity | NPD5276 | Approved |
0.6825 | Remote Similarity | NPD4193 | Approved |
0.6825 | Remote Similarity | NPD4194 | Approved |
0.6825 | Remote Similarity | NPD4192 | Approved |
0.6825 | Remote Similarity | NPD4191 | Approved |
0.6716 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6714 | Remote Similarity | NPD5733 | Approved |
0.6712 | Remote Similarity | NPD4195 | Approved |
0.6604 | Remote Similarity | NPD1799 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD319 | Phase 1 |
0.64 | Remote Similarity | NPD4695 | Discontinued |
0.6364 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.629 | Remote Similarity | NPD4219 | Approved |
0.6207 | Remote Similarity | NPD8262 | Approved |
0.6125 | Remote Similarity | NPD5690 | Phase 2 |
0.6119 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6104 | Remote Similarity | NPD8028 | Phase 2 |
0.6049 | Remote Similarity | NPD3573 | Approved |
0.6038 | Remote Similarity | NPD5783 | Phase 3 |
0.6026 | Remote Similarity | NPD4221 | Approved |
0.6026 | Remote Similarity | NPD4223 | Phase 3 |
0.5942 | Remote Similarity | NPD7331 | Phase 2 |
0.5926 | Remote Similarity | NPD4623 | Approved |
0.5926 | Remote Similarity | NPD4519 | Discontinued |
0.5875 | Remote Similarity | NPD3665 | Phase 1 |
0.5875 | Remote Similarity | NPD4197 | Approved |
0.5875 | Remote Similarity | NPD3666 | Approved |
0.5875 | Remote Similarity | NPD3133 | Approved |
0.5811 | Remote Similarity | NPD4784 | Approved |
0.5811 | Remote Similarity | NPD4785 | Approved |
0.5802 | Remote Similarity | NPD5329 | Approved |
0.5769 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD6079 | Approved |
0.5753 | Remote Similarity | NPD4243 | Approved |
0.5733 | Remote Similarity | NPD8264 | Approved |
0.5732 | Remote Similarity | NPD4688 | Approved |
0.5732 | Remote Similarity | NPD3618 | Phase 1 |
0.5732 | Remote Similarity | NPD4693 | Phase 3 |
0.5732 | Remote Similarity | NPD7146 | Approved |
0.5732 | Remote Similarity | NPD4690 | Approved |
0.5732 | Remote Similarity | NPD5205 | Approved |
0.5732 | Remote Similarity | NPD5280 | Approved |
0.5732 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD4689 | Approved |
0.5732 | Remote Similarity | NPD7521 | Approved |
0.5732 | Remote Similarity | NPD7334 | Approved |
0.5732 | Remote Similarity | NPD4138 | Approved |
0.5732 | Remote Similarity | NPD6684 | Approved |
0.5732 | Remote Similarity | NPD5330 | Approved |
0.5732 | Remote Similarity | NPD4694 | Approved |
0.5732 | Remote Similarity | NPD6409 | Approved |
0.5732 | Remote Similarity | NPD5279 | Phase 3 |
0.5714 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD3617 | Approved |
0.5647 | Remote Similarity | NPD5207 | Approved |
0.5634 | Remote Similarity | NPD3709 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD5209 | Approved |
0.5625 | Remote Similarity | NPD342 | Phase 1 |
0.5625 | Remote Similarity | NPD3667 | Approved |
0.5625 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5616 | Remote Similarity | NPD7144 | Approved |
0.5616 | Remote Similarity | NPD7143 | Approved |
0.561 | Remote Similarity | NPD1694 | Approved |
0.561 | Remote Similarity | NPD1696 | Phase 3 |
PubChem CID   | 5282108 |
ChEMBL   | CHEMBL472877 |
ZINC   |
Molecular Weight:   | 192.15 |
ALogP:   | 2.2521 |
MLogP:   | 2.78 |
XLogP:   | 4.103 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 14 |