Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine | 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 | blood | 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 |
PMID[17190852] |
|||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[18502700] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[18052033] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22308371] |
||
NPO2841.3 | Streptomyces cavourensis yy01-17 | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT661 | Individual Protein | Solute carrier family 22 member 6 | Mus musculus | Ki | = | 14125375.45 | nM | 17553798 |
NPT662 | Individual Protein | Solute carrier family 22 member 20 | Mus musculus | Ki | = | 315000 | nM | 17553798 |
NPT661 | Individual Protein | Solute carrier family 22 member 6 | Mus musculus | Ki | = | 14200000 | nM | 17553798 |
NPT662 | Individual Protein | Solute carrier family 22 member 20 | Mus musculus | Ki | = | 316227.77 | nM | 17553798 |
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 NPC316217 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 |
---|---|---|
1.0 | High Similarity | NPC222792 |
0.9167 | High Similarity | NPC5505 |
0.9 | High Similarity | NPC319680 |
0.8108 | Intermediate Similarity | NPC307027 |
0.8056 | Intermediate Similarity | NPC76217 |
0.8056 | Intermediate Similarity | NPC307739 |
0.7895 | Intermediate Similarity | NPC325165 |
0.7895 | Intermediate Similarity | NPC316685 |
0.7692 | Intermediate Similarity | NPC103612 |
0.7692 | Intermediate Similarity | NPC24967 |
0.7619 | Intermediate Similarity | NPC35661 |
0.7568 | Intermediate Similarity | NPC212144 |
0.75 | Intermediate Similarity | NPC61066 |
0.75 | Intermediate Similarity | NPC104195 |
0.75 | Intermediate Similarity | NPC151140 |
0.75 | Intermediate Similarity | NPC122768 |
0.7436 | Intermediate Similarity | NPC250870 |
0.7436 | Intermediate Similarity | NPC168052 |
0.7436 | Intermediate Similarity | NPC191084 |
0.7317 | Intermediate Similarity | NPC38930 |
0.7209 | Intermediate Similarity | NPC97444 |
0.7209 | Intermediate Similarity | NPC19044 |
0.7209 | Intermediate Similarity | NPC24751 |
0.7209 | Intermediate Similarity | NPC100742 |
0.7209 | Intermediate Similarity | NPC192402 |
0.7209 | Intermediate Similarity | NPC121018 |
0.7111 | Intermediate Similarity | NPC38891 |
0.7111 | Intermediate Similarity | NPC242655 |
0.7105 | Intermediate Similarity | NPC280532 |
0.7027 | Intermediate Similarity | NPC292641 |
0.7027 | Intermediate Similarity | NPC270334 |
0.7 | Intermediate Similarity | NPC323401 |
0.7 | Intermediate Similarity | NPC19676 |
0.6977 | Remote Similarity | NPC320331 |
0.6842 | Remote Similarity | NPC198126 |
0.6842 | Remote Similarity | NPC21374 |
0.6829 | Remote Similarity | NPC159089 |
0.675 | Remote Similarity | NPC127142 |
0.6667 | Remote Similarity | NPC149209 |
0.6667 | Remote Similarity | NPC230726 |
0.6538 | Remote Similarity | NPC6883 |
0.6531 | Remote Similarity | NPC328954 |
0.65 | Remote Similarity | NPC178643 |
0.65 | Remote Similarity | NPC35371 |
0.65 | Remote Similarity | NPC41007 |
0.65 | Remote Similarity | NPC168714 |
0.6389 | Remote Similarity | NPC190797 |
0.6389 | Remote Similarity | NPC165122 |
0.6389 | Remote Similarity | NPC140389 |
0.6316 | Remote Similarity | NPC281943 |
0.6316 | Remote Similarity | NPC317739 |
0.6304 | Remote Similarity | NPC259982 |
0.6304 | Remote Similarity | NPC313565 |
0.6304 | Remote Similarity | NPC228782 |
0.6279 | Remote Similarity | NPC109026 |
0.6279 | Remote Similarity | NPC252843 |
0.625 | Remote Similarity | NPC261351 |
0.6216 | Remote Similarity | NPC286233 |
0.6216 | Remote Similarity | NPC314668 |
0.619 | Remote Similarity | NPC317203 |
0.6154 | Remote Similarity | NPC174368 |
0.6154 | Remote Similarity | NPC277878 |
0.6136 | Remote Similarity | NPC325454 |
0.6111 | Remote Similarity | NPC114270 |
0.6111 | Remote Similarity | NPC256186 |
0.6111 | Remote Similarity | NPC23071 |
0.6087 | Remote Similarity | NPC325307 |
0.6087 | Remote Similarity | NPC322956 |
0.6053 | Remote Similarity | NPC320326 |
0.6053 | Remote Similarity | NPC143211 |
0.6042 | Remote Similarity | NPC270088 |
0.6038 | Remote Similarity | NPC196612 |
0.6038 | Remote Similarity | NPC65985 |
0.6 | Remote Similarity | NPC329545 |
0.6 | Remote Similarity | NPC5934 |
0.6 | Remote Similarity | NPC198377 |
0.6 | Remote Similarity | NPC3531 |
0.6 | Remote Similarity | NPC320981 |
0.5965 | Remote Similarity | NPC470363 |
0.5952 | Remote Similarity | NPC7814 |
0.5946 | Remote Similarity | NPC28246 |
0.5946 | Remote Similarity | NPC88887 |
0.5918 | Remote Similarity | NPC133771 |
0.5909 | Remote Similarity | NPC317945 |
0.5909 | Remote Similarity | NPC14608 |
0.5897 | Remote Similarity | NPC88135 |
0.5897 | Remote Similarity | NPC33415 |
0.5897 | Remote Similarity | NPC301586 |
0.5897 | Remote Similarity | NPC316272 |
0.5897 | Remote Similarity | NPC52362 |
0.5882 | Remote Similarity | NPC46254 |
0.5882 | Remote Similarity | NPC293378 |
0.5833 | Remote Similarity | NPC318951 |
0.5833 | Remote Similarity | NPC320624 |
0.5818 | Remote Similarity | NPC60830 |
0.5818 | Remote Similarity | NPC68743 |
0.58 | Remote Similarity | NPC328497 |
0.58 | Remote Similarity | NPC324004 |
0.5789 | Remote Similarity | NPC166804 |
0.5789 | Remote Similarity | NPC201132 |
0.5789 | Remote Similarity | NPC127134 |
0.5789 | Remote Similarity | NPC179624 |
0.575 | Remote Similarity | NPC127696 |
0.5745 | Remote Similarity | NPC248763 |
0.5745 | Remote Similarity | NPC325452 |
0.5714 | Remote Similarity | NPC94196 |
0.5714 | Remote Similarity | NPC217218 |
0.5714 | Remote Similarity | NPC175342 |
0.5686 | Remote Similarity | NPC200618 |
0.5686 | Remote Similarity | NPC106872 |
0.5686 | Remote Similarity | NPC247546 |
0.5686 | Remote Similarity | NPC131770 |
0.5686 | Remote Similarity | NPC172086 |
0.5682 | Remote Similarity | NPC1037 |
0.5682 | Remote Similarity | NPC321699 |
0.5676 | Remote Similarity | NPC87529 |
0.5676 | Remote Similarity | NPC245688 |
0.5676 | Remote Similarity | NPC157340 |
0.566 | Remote Similarity | NPC100096 |
0.5641 | Remote Similarity | NPC276332 |
0.5641 | Remote Similarity | NPC272307 |
0.5641 | Remote Similarity | NPC39869 |
0.5636 | Remote Similarity | NPC320588 |
0.5636 | Remote Similarity | NPC53463 |
0.5636 | Remote Similarity | NPC469937 |
0.5636 | Remote Similarity | NPC23155 |
0.5625 | Remote Similarity | NPC310220 |
0.5625 | Remote Similarity | NPC325102 |
0.5614 | Remote Similarity | NPC220922 |
0.5614 | Remote Similarity | NPC61567 |
0.5614 | Remote Similarity | NPC190385 |
0.5614 | Remote Similarity | NPC328447 |
0.5614 | Remote Similarity | NPC293692 |
0.561 | Remote Similarity | NPC241404 |
0.561 | Remote Similarity | NPC302611 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC316217 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 |
---|---|---|---|
0.8056 | Intermediate Similarity | NPD8202 | Approved |
0.8056 | Intermediate Similarity | NPD8205 | Approved |
0.7778 | Intermediate Similarity | NPD54 | Approved |
0.7778 | Intermediate Similarity | NPD55 | Approved |
0.7778 | Intermediate Similarity | NPD8203 | Approved |
0.7778 | Intermediate Similarity | NPD8204 | Approved |
0.7778 | Intermediate Similarity | NPD8206 | Approved |
0.7209 | Intermediate Similarity | NPD8604 | Approved |
0.7209 | Intermediate Similarity | NPD8601 | Approved |
0.7209 | Intermediate Similarity | NPD8599 | Approved |
0.7209 | Intermediate Similarity | NPD8602 | Approved |
0.7209 | Intermediate Similarity | NPD8598 | Approved |
0.7209 | Intermediate Similarity | NPD8605 | Approved |
0.7209 | Intermediate Similarity | NPD8603 | Approved |
0.7209 | Intermediate Similarity | NPD8600 | Approved |
0.6842 | Remote Similarity | NPD8618 | Approved |
0.6579 | Remote Similarity | NPD8619 | Approved |
0.6579 | Remote Similarity | NPD8617 | Approved |
0.6216 | Remote Similarity | NPD8189 | Approved |
0.6154 | Remote Similarity | NPD9009 | Approved |
0.6154 | Remote Similarity | NPD9011 | Approved |
0.6154 | Remote Similarity | NPD9007 | Approved |
0.6154 | Remote Similarity | NPD9008 | Approved |
0.6154 | Remote Similarity | NPD9010 | Approved |
0.6154 | Remote Similarity | NPD8960 | Approved |
0.6154 | Remote Similarity | NPD65 | Approved |
0.6154 | Remote Similarity | NPD64 | Approved |
0.6154 | Remote Similarity | NPD66 | Approved |
0.6154 | Remote Similarity | NPD72 | Approved |
0.6111 | Remote Similarity | NPD8225 | Phase 3 |
0.6053 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8856 | Phase 2 |
0.6 | Remote Similarity | NPD77 | Approved |
0.6 | Remote Similarity | NPD8590 | Approved |
0.6 | Remote Similarity | NPD9450 | Approved |
0.5952 | Remote Similarity | NPD8857 | Approved |
0.5897 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD71 | Approved |
0.5882 | Remote Similarity | NPD9129 | Approved |
0.5882 | Remote Similarity | NPD9126 | Approved |
0.587 | Remote Similarity | NPD9635 | Discontinued |
0.5789 | Remote Similarity | NPD8989 | Approved |
0.5714 | Remote Similarity | NPD73 | Approved |
0.5686 | Remote Similarity | NPD9004 | Approved |
0.5686 | Remote Similarity | NPD9127 | Approved |
0.5686 | Remote Similarity | NPD9130 | Phase 3 |
0.5686 | Remote Similarity | NPD70 | Approved |
0.5686 | Remote Similarity | NPD9122 | Approved |
0.5686 | Remote Similarity | NPD9121 | Approved |
0.5686 | Remote Similarity | NPD9128 | Approved |
0.5686 | Remote Similarity | NPD9123 | Approved |
0.5686 | Remote Similarity | NPD108 | Approved |
0.5686 | Remote Similarity | NPD9005 | Phase 3 |
0.5686 | Remote Similarity | NPD9125 | Approved |
0.5686 | Remote Similarity | NPD109 | Approved |
0.5686 | Remote Similarity | NPD9003 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD9124 | Approved |
0.5676 | Remote Similarity | NPD8226 | Approved |
0.5636 | Remote Similarity | NPD3730 | Approved |
0.5636 | Remote Similarity | NPD3728 | Approved |
0.5636 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD9661 | Approved |
0.5614 | Remote Similarity | NPD8959 | Approved |
PubChem CID   | 99823 |
ChEMBL   | CHEMBL1162479 |
ZINC   |
Molecular Weight:   | 118.06 |
ALogP:   | -0.2843 |
MLogP:   | 1.68 |
XLogP:   | 0.064 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 57.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 8 |