Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Tietz NW eds. Clinical guide to laboratory tests, 2nd ed., 1990:166-167, WB Saunders, Philadelphia. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva | DOI[10.1007/s11306-015-0840-5] | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[2407302] |
||
NPO29607 | Citri sarcodactylis fructus | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1405 | Individual Protein | Gamma-hydroxybutyrate receptor | Rattus norvegicus | Inhibition | = | 55 | % | 3361576 |
NPT1405 | Individual Protein | Gamma-hydroxybutyrate receptor | Rattus norvegicus | Inhibition | = | 35 | % | 3361576 |
NPT1405 | Individual Protein | Gamma-hydroxybutyrate receptor | Rattus norvegicus | IC50 | = | 6600 | nM | 3361576 |
NPT1405 | Individual Protein | Gamma-hydroxybutyrate receptor | Rattus norvegicus | IC50 | = | 25000 | nM | 15927467 |
NPT805 | Protein Complex | GABA-A receptor; anion channel | Rattus norvegicus | Inhibition | = | 35.5 | % | 15927467 |
NPT995 | Protein Complex | GABA B receptor | Rattus norvegicus | Inhibition | = | 41.1 | % | 15927467 |
NPT2 | Others | Unspecified | Ki | = | 4300 | nM | 19053823 | |
NPT2 | Others | Unspecified | Ki | = | 3981.07 | nM | 19053823 | |
NPT2 | Others | Unspecified | Ki | = | 4300 | nM | 20715819 | |
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | Ki | = | 65000000 | nM | 21955456 |
NPT873 | Individual Protein | Monocarboxylate transporter 2 | Homo sapiens | Activity | = | 10 | % | 9786900 |
NPT706 | Individual Protein | Monocarboxylate transporter 1 | Rattus norvegicus | Activity | = | 40 | % | 9786900 |
NPT2 | Others | Unspecified | Ki | = | 4300 | nM | 24053696 | |
NPT2 | Others | Unspecified | IC50 | = | 1148.15 | nM | 24053696 | |
NPT2 | Others | Unspecified | IC50 | = | 1140 | nM | 24053696 |
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 NPC198126 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 |
---|---|---|
0.875 | High Similarity | NPC316685 |
0.8 | Intermediate Similarity | NPC236709 |
0.7931 | Intermediate Similarity | NPC149209 |
0.7647 | Intermediate Similarity | NPC317203 |
0.7647 | Intermediate Similarity | NPC168052 |
0.7647 | Intermediate Similarity | NPC250870 |
0.7647 | Intermediate Similarity | NPC191084 |
0.7429 | Intermediate Similarity | NPC5505 |
0.7368 | Intermediate Similarity | NPC35661 |
0.7188 | Intermediate Similarity | NPC61066 |
0.7188 | Intermediate Similarity | NPC122768 |
0.7188 | Intermediate Similarity | NPC104195 |
0.7188 | Intermediate Similarity | NPC151140 |
0.7188 | Intermediate Similarity | NPC174368 |
0.7188 | Intermediate Similarity | NPC180423 |
0.7143 | Intermediate Similarity | NPC219266 |
0.7097 | Intermediate Similarity | NPC143211 |
0.7059 | Intermediate Similarity | NPC108238 |
0.7 | Intermediate Similarity | NPC28246 |
0.6923 | Remote Similarity | NPC121018 |
0.6923 | Remote Similarity | NPC97444 |
0.6923 | Remote Similarity | NPC19044 |
0.6923 | Remote Similarity | NPC24751 |
0.6923 | Remote Similarity | NPC100742 |
0.6923 | Remote Similarity | NPC192402 |
0.6875 | Remote Similarity | NPC234005 |
0.6857 | Remote Similarity | NPC7814 |
0.6842 | Remote Similarity | NPC316217 |
0.6842 | Remote Similarity | NPC222792 |
0.6829 | Remote Similarity | NPC38891 |
0.6829 | Remote Similarity | NPC242655 |
0.6774 | Remote Similarity | NPC166804 |
0.6774 | Remote Similarity | NPC314668 |
0.6774 | Remote Similarity | NPC230726 |
0.6765 | Remote Similarity | NPC280532 |
0.6667 | Remote Similarity | NPC292641 |
0.6571 | Remote Similarity | NPC175342 |
0.6571 | Remote Similarity | NPC18224 |
0.6571 | Remote Similarity | NPC328710 |
0.6571 | Remote Similarity | NPC125575 |
0.6552 | Remote Similarity | NPC181153 |
0.6486 | Remote Similarity | NPC1037 |
0.6471 | Remote Similarity | NPC320981 |
0.6471 | Remote Similarity | NPC21374 |
0.6452 | Remote Similarity | NPC3693 |
0.6452 | Remote Similarity | NPC41485 |
0.6452 | Remote Similarity | NPC32280 |
0.6389 | Remote Similarity | NPC307027 |
0.6389 | Remote Similarity | NPC127142 |
0.6333 | Remote Similarity | NPC8187 |
0.6316 | Remote Similarity | NPC321569 |
0.6316 | Remote Similarity | NPC206924 |
0.6286 | Remote Similarity | NPC76217 |
0.6286 | Remote Similarity | NPC12904 |
0.6286 | Remote Similarity | NPC307739 |
0.625 | Remote Similarity | NPC240109 |
0.6222 | Remote Similarity | NPC328954 |
0.6216 | Remote Similarity | NPC325165 |
0.6207 | Remote Similarity | NPC294703 |
0.619 | Remote Similarity | NPC319680 |
0.6176 | Remote Similarity | NPC270334 |
0.6136 | Remote Similarity | NPC136159 |
0.6129 | Remote Similarity | NPC110107 |
0.6129 | Remote Similarity | NPC199270 |
0.6111 | Remote Similarity | NPC286695 |
0.6111 | Remote Similarity | NPC35371 |
0.6111 | Remote Similarity | NPC99700 |
0.6111 | Remote Similarity | NPC41007 |
0.6111 | Remote Similarity | NPC178643 |
0.6111 | Remote Similarity | NPC168714 |
0.6061 | Remote Similarity | NPC283626 |
0.6061 | Remote Similarity | NPC248233 |
0.6061 | Remote Similarity | NPC320326 |
0.6053 | Remote Similarity | NPC24967 |
0.6053 | Remote Similarity | NPC134782 |
0.6053 | Remote Similarity | NPC321699 |
0.6053 | Remote Similarity | NPC155263 |
0.6053 | Remote Similarity | NPC103612 |
0.6 | Remote Similarity | NPC302611 |
0.6 | Remote Similarity | NPC16947 |
0.5952 | Remote Similarity | NPC313565 |
0.5952 | Remote Similarity | NPC228782 |
0.5952 | Remote Similarity | NPC259982 |
0.5946 | Remote Similarity | NPC154396 |
0.5938 | Remote Similarity | NPC88887 |
0.5938 | Remote Similarity | NPC213764 |
0.5938 | Remote Similarity | NPC165122 |
0.5909 | Remote Similarity | NPC12438 |
0.5909 | Remote Similarity | NPC30195 |
0.5897 | Remote Similarity | NPC317945 |
0.5897 | Remote Similarity | NPC109026 |
0.5897 | Remote Similarity | NPC158179 |
0.5897 | Remote Similarity | NPC252843 |
0.5882 | Remote Similarity | NPC281943 |
0.5882 | Remote Similarity | NPC33415 |
0.5882 | Remote Similarity | NPC317739 |
0.5882 | Remote Similarity | NPC301586 |
0.587 | Remote Similarity | NPC46254 |
0.5862 | Remote Similarity | NPC236761 |
0.5854 | Remote Similarity | NPC320331 |
0.5833 | Remote Similarity | NPC328569 |
0.5833 | Remote Similarity | NPC212144 |
0.5833 | Remote Similarity | NPC277878 |
0.5814 | Remote Similarity | NPC43264 |
0.5806 | Remote Similarity | NPC203105 |
0.5806 | Remote Similarity | NPC23508 |
0.5806 | Remote Similarity | NPC52403 |
0.5789 | Remote Similarity | NPC289344 |
0.5778 | Remote Similarity | NPC328497 |
0.5778 | Remote Similarity | NPC324004 |
0.5758 | Remote Similarity | NPC286233 |
0.5758 | Remote Similarity | NPC3343 |
0.5758 | Remote Similarity | NPC259649 |
0.5758 | Remote Similarity | NPC201132 |
0.5758 | Remote Similarity | NPC127134 |
0.575 | Remote Similarity | NPC128713 |
0.575 | Remote Similarity | NPC325454 |
0.575 | Remote Similarity | NPC73245 |
0.575 | Remote Similarity | NPC38930 |
0.575 | Remote Similarity | NPC268826 |
0.575 | Remote Similarity | NPC18188 |
0.5714 | Remote Similarity | NPC248139 |
0.5714 | Remote Similarity | NPC127696 |
0.5714 | Remote Similarity | NPC196612 |
0.5714 | Remote Similarity | NPC323401 |
0.5714 | Remote Similarity | NPC19676 |
0.5682 | Remote Similarity | NPC270088 |
0.5676 | Remote Similarity | NPC14778 |
0.5676 | Remote Similarity | NPC217218 |
0.5676 | Remote Similarity | NPC322892 |
0.5652 | Remote Similarity | NPC327542 |
0.5652 | Remote Similarity | NPC131770 |
0.5652 | Remote Similarity | NPC106872 |
0.5652 | Remote Similarity | NPC200618 |
0.5641 | Remote Similarity | NPC159089 |
0.5641 | Remote Similarity | NPC80396 |
0.5641 | Remote Similarity | NPC80641 |
0.5641 | Remote Similarity | NPC154642 |
0.5625 | Remote Similarity | NPC8368 |
0.5625 | Remote Similarity | NPC23071 |
0.5625 | Remote Similarity | NPC87529 |
0.5625 | Remote Similarity | NPC94144 |
0.5625 | Remote Similarity | NPC256186 |
0.5625 | Remote Similarity | NPC245688 |
0.561 | Remote Similarity | NPC183424 |
0.561 | Remote Similarity | NPC3531 |
0.561 | Remote Similarity | NPC118968 |
0.561 | Remote Similarity | NPC201844 |
0.561 | Remote Similarity | NPC294085 |
0.561 | Remote Similarity | NPC329545 |
0.561 | Remote Similarity | NPC261080 |
0.561 | Remote Similarity | NPC214610 |
0.561 | Remote Similarity | NPC301585 |
0.561 | Remote Similarity | NPC94368 |
0.561 | Remote Similarity | NPC301696 |
0.561 | Remote Similarity | NPC154186 |
0.561 | Remote Similarity | NPC14227 |
0.561 | Remote Similarity | NPC113928 |
0.561 | Remote Similarity | NPC279026 |
0.56 | Remote Similarity | NPC6883 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC198126 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 |
---|---|---|---|
1.0 | High Similarity | NPD8618 | Approved |
0.9643 | High Similarity | NPD8617 | Approved |
0.9643 | High Similarity | NPD8619 | Approved |
0.8 | Intermediate Similarity | NPD8594 | Approved |
0.8 | Intermediate Similarity | NPD8593 | Approved |
0.7 | Intermediate Similarity | NPD8592 | Approved |
0.7 | Intermediate Similarity | NPD8591 | Approved |
0.6923 | Remote Similarity | NPD8598 | Approved |
0.6923 | Remote Similarity | NPD8602 | Approved |
0.6923 | Remote Similarity | NPD8601 | Approved |
0.6923 | Remote Similarity | NPD8603 | Approved |
0.6923 | Remote Similarity | NPD8605 | Approved |
0.6923 | Remote Similarity | NPD8600 | Approved |
0.6923 | Remote Similarity | NPD8604 | Approved |
0.6923 | Remote Similarity | NPD8599 | Approved |
0.6857 | Remote Similarity | NPD900 | Approved |
0.6857 | Remote Similarity | NPD8857 | Approved |
0.6667 | Remote Similarity | NPD8596 | Approved |
0.6552 | Remote Similarity | NPD8201 | Phase 2 |
0.6552 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.6552 | Remote Similarity | NPD8615 | Phase 2 |
0.6486 | Remote Similarity | NPD8597 | Approved |
0.6471 | Remote Similarity | NPD8590 | Approved |
0.6286 | Remote Similarity | NPD8205 | Approved |
0.6286 | Remote Similarity | NPD8202 | Approved |
0.6061 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD54 | Approved |
0.6 | Remote Similarity | NPD8203 | Approved |
0.6 | Remote Similarity | NPD55 | Approved |
0.6 | Remote Similarity | NPD8206 | Approved |
0.6 | Remote Similarity | NPD8204 | Approved |
0.5882 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD9007 | Approved |
0.5833 | Remote Similarity | NPD8960 | Approved |
0.5833 | Remote Similarity | NPD64 | Approved |
0.5833 | Remote Similarity | NPD9010 | Approved |
0.5833 | Remote Similarity | NPD8595 | Approved |
0.5833 | Remote Similarity | NPD65 | Approved |
0.5833 | Remote Similarity | NPD72 | Approved |
0.5833 | Remote Similarity | NPD66 | Approved |
0.5833 | Remote Similarity | NPD9008 | Approved |
0.5833 | Remote Similarity | NPD9009 | Approved |
0.5833 | Remote Similarity | NPD9011 | Approved |
0.5758 | Remote Similarity | NPD8989 | Approved |
0.5758 | Remote Similarity | NPD8189 | Approved |
0.575 | Remote Similarity | NPD8623 | Phase 1 |
0.5714 | Remote Similarity | NPD62 | Approved |
0.561 | Remote Similarity | NPD9655 | Approved |
0.561 | Remote Similarity | NPD77 | Approved |
0.561 | Remote Similarity | NPD9448 | Phase 2 |
0.561 | Remote Similarity | NPD633 | Phase 3 |
0.561 | Remote Similarity | NPD9450 | Approved |
PubChem CID   | 10413 |
ChEMBL   | CHEMBL1342 |
ZINC   |
Molecular Weight:   | 104.05 |
ALogP:   | -0.9417 |
MLogP:   | 1.57 |
XLogP:   | -0.601 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 57.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |