Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva | DOI[10.1007/s11306-015-0840-5] | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[8412012] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[9869358] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cytoplasm |
PMID[8579834] |
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 NPC320981 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 |
---|---|---|
0.8333 | Intermediate Similarity | NPC292641 |
0.8065 | Intermediate Similarity | NPC302611 |
0.7941 | Intermediate Similarity | NPC1037 |
0.7931 | Intermediate Similarity | NPC149209 |
0.7647 | Intermediate Similarity | NPC168052 |
0.7647 | Intermediate Similarity | NPC250870 |
0.7647 | Intermediate Similarity | NPC191084 |
0.75 | Intermediate Similarity | NPC241404 |
0.7353 | Intermediate Similarity | NPC127142 |
0.7353 | Intermediate Similarity | NPC307027 |
0.7353 | Intermediate Similarity | NPC7814 |
0.7333 | Intermediate Similarity | NPC286233 |
0.7333 | Intermediate Similarity | NPC3343 |
0.7273 | Intermediate Similarity | NPC328569 |
0.7222 | Intermediate Similarity | NPC317945 |
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 |
0.7143 | Intermediate Similarity | NPC181153 |
0.7059 | Intermediate Similarity | NPC94196 |
0.6875 | Remote Similarity | NPC236709 |
0.6774 | Remote Similarity | NPC314668 |
0.6774 | Remote Similarity | NPC230726 |
0.6765 | Remote Similarity | NPC280532 |
0.6757 | Remote Similarity | NPC109026 |
0.6667 | Remote Similarity | NPC248139 |
0.6579 | Remote Similarity | NPC38930 |
0.6571 | Remote Similarity | NPC175342 |
0.6571 | Remote Similarity | NPC217218 |
0.6486 | Remote Similarity | NPC5505 |
0.6471 | Remote Similarity | NPC198126 |
0.6452 | Remote Similarity | NPC28246 |
0.641 | Remote Similarity | NPC329545 |
0.6364 | Remote Similarity | NPC55956 |
0.6341 | Remote Similarity | NPC310220 |
0.6341 | Remote Similarity | NPC289686 |
0.6333 | Remote Similarity | NPC185768 |
0.6286 | Remote Similarity | NPC212144 |
0.6216 | Remote Similarity | NPC316685 |
0.6154 | Remote Similarity | NPC128713 |
0.6111 | Remote Similarity | NPC125575 |
0.6111 | Remote Similarity | NPC18224 |
0.6111 | Remote Similarity | NPC328710 |
0.6098 | Remote Similarity | NPC24751 |
0.6098 | Remote Similarity | NPC100742 |
0.6098 | Remote Similarity | NPC121018 |
0.6098 | Remote Similarity | NPC192402 |
0.6098 | Remote Similarity | NPC35661 |
0.6098 | Remote Similarity | NPC97444 |
0.6098 | Remote Similarity | NPC19044 |
0.6071 | Remote Similarity | NPC171188 |
0.6071 | Remote Similarity | NPC68873 |
0.6061 | Remote Similarity | NPC143211 |
0.6053 | Remote Similarity | NPC159089 |
0.6053 | Remote Similarity | NPC155263 |
0.6 | Remote Similarity | NPC316217 |
0.6 | Remote Similarity | NPC222792 |
0.6 | Remote Similarity | NPC265882 |
0.6 | Remote Similarity | NPC222945 |
0.5909 | Remote Similarity | NPC133771 |
0.5897 | Remote Similarity | NPC206924 |
0.5897 | Remote Similarity | NPC158179 |
0.5897 | Remote Similarity | NPC252843 |
0.5854 | Remote Similarity | NPC320331 |
0.5833 | Remote Similarity | NPC307739 |
0.5833 | Remote Similarity | NPC76217 |
0.5833 | Remote Similarity | NPC228727 |
0.5814 | Remote Similarity | NPC74845 |
0.5806 | Remote Similarity | NPC33928 |
0.5806 | Remote Similarity | NPC203105 |
0.5806 | Remote Similarity | NPC8187 |
0.5789 | Remote Similarity | NPC317203 |
0.5758 | Remote Similarity | NPC259649 |
0.5758 | Remote Similarity | NPC166804 |
0.575 | Remote Similarity | NPC325454 |
0.575 | Remote Similarity | NPC73245 |
0.5714 | Remote Similarity | NPC180423 |
0.5714 | Remote Similarity | NPC474361 |
0.5714 | Remote Similarity | NPC270334 |
0.5676 | Remote Similarity | NPC14778 |
0.5667 | Remote Similarity | NPC141986 |
0.5652 | Remote Similarity | NPC200618 |
0.5652 | Remote Similarity | NPC131770 |
0.5641 | Remote Similarity | NPC134782 |
0.5625 | Remote Similarity | NPC30338 |
0.561 | Remote Similarity | NPC3531 |
0.561 | Remote Similarity | NPC261080 |
0.561 | Remote Similarity | NPC154186 |
0.561 | Remote Similarity | NPC201844 |
0.561 | Remote Similarity | NPC301585 |
0.561 | Remote Similarity | NPC301696 |
0.561 | Remote Similarity | NPC14227 |
0.561 | Remote Similarity | NPC113928 |
0.561 | Remote Similarity | NPC279026 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC320981 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 | NPD8590 | Approved |
0.8929 | High Similarity | NPD106 | Approved |
0.7353 | Intermediate Similarity | NPD8857 | Approved |
0.7333 | Intermediate Similarity | NPD8189 | Approved |
0.7143 | Intermediate Similarity | NPD8615 | Phase 2 |
0.7143 | Intermediate Similarity | NPD8201 | Phase 2 |
0.7143 | Intermediate Similarity | NPD8616 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD8593 | Approved |
0.6875 | Remote Similarity | NPD8594 | Approved |
0.6667 | Remote Similarity | NPD62 | Approved |
0.6667 | Remote Similarity | NPD8619 | Approved |
0.6667 | Remote Similarity | NPD8617 | Approved |
0.6471 | Remote Similarity | NPD8618 | Approved |
0.6098 | Remote Similarity | NPD8600 | Approved |
0.6098 | Remote Similarity | NPD8605 | Approved |
0.6098 | Remote Similarity | NPD8598 | Approved |
0.6098 | Remote Similarity | NPD8601 | Approved |
0.6098 | Remote Similarity | NPD8602 | Approved |
0.6098 | Remote Similarity | NPD9116 | Phase 1 |
0.6098 | Remote Similarity | NPD8603 | Approved |
0.6098 | Remote Similarity | NPD8604 | Approved |
0.6098 | Remote Similarity | NPD8599 | Approved |
0.6071 | Remote Similarity | NPD7364 | Approved |
0.6071 | Remote Similarity | NPD8200 | Phase 2 |
0.6061 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8191 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8190 | Phase 2 |
0.5938 | Remote Similarity | NPD8592 | Approved |
0.5938 | Remote Similarity | NPD8591 | Approved |
0.5833 | Remote Similarity | NPD8202 | Approved |
0.5833 | Remote Similarity | NPD8205 | Approved |
0.5789 | Remote Similarity | NPD8596 | Approved |
0.5641 | Remote Similarity | NPD8597 | 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   | 96 |
ChEMBL   | CHEMBL1230762 |
ZINC   |
Molecular Weight:   | 102.03 |
ALogP:   | -0.4589 |
MLogP:   | 1.57 |
XLogP:   | -0.034 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 54.37 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |