Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[17031479] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22308371] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[21388201] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[17031479] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | Ki | = | 300000 | nM | 14667225 |
NPT1166 | Individual Protein | Angiotensin-converting enzyme | Homo sapiens | IC50 | = | 446683.59 | nM | 7629809 |
NPT1166 | Individual Protein | Angiotensin-converting enzyme | Homo sapiens | IC50 | = | 446683.59 | nM | 8360884 |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | Ki | = | 300000 | nM | 15974593 |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | EC50 | = | 130000 | nM | 16759105 |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | IC50 | = | 330000 | nM | 16759105 |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | Ratio | = | 870 | 16759105 | |
NPT2 | Others | Unspecified | Inhibition | < | 15 | % | 19060912 | |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | Activity | = | 7 | % | 7896779 |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | Inhibition | = | 78 | % | 9835627 |
NPT622 | Individual Protein | Solute carrier organic anion transporter family member 2B1 | Homo sapiens | Inhibition | = | 24.1 | % | 22541068 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 9.6 | % | 22541068 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | -8.4 | % | 22541068 |
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 NPC287693 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 |
---|---|---|
0.9524 | High Similarity | NPC322274 |
0.8955 | High Similarity | NPC320221 |
0.8824 | High Similarity | NPC327272 |
0.8226 | Intermediate Similarity | NPC302003 |
0.8226 | Intermediate Similarity | NPC11433 |
0.8226 | Intermediate Similarity | NPC245346 |
0.7705 | Intermediate Similarity | NPC8488 |
0.7705 | Intermediate Similarity | NPC274499 |
0.7705 | Intermediate Similarity | NPC333075 |
0.7333 | Intermediate Similarity | NPC59867 |
0.7286 | Intermediate Similarity | NPC78312 |
0.7286 | Intermediate Similarity | NPC221764 |
0.7286 | Intermediate Similarity | NPC135539 |
0.7286 | Intermediate Similarity | NPC196359 |
0.7246 | Intermediate Similarity | NPC160661 |
0.7206 | Intermediate Similarity | NPC243964 |
0.7143 | Intermediate Similarity | NPC128005 |
0.7143 | Intermediate Similarity | NPC84182 |
0.7083 | Intermediate Similarity | NPC15864 |
0.7049 | Intermediate Similarity | NPC93081 |
0.7049 | Intermediate Similarity | NPC140872 |
0.6962 | Remote Similarity | NPC475542 |
0.6933 | Remote Similarity | NPC266888 |
0.6933 | Remote Similarity | NPC209156 |
0.6933 | Remote Similarity | NPC161774 |
0.6933 | Remote Similarity | NPC256312 |
0.6892 | Remote Similarity | NPC196007 |
0.6892 | Remote Similarity | NPC76297 |
0.6892 | Remote Similarity | NPC214532 |
0.6812 | Remote Similarity | NPC118429 |
0.68 | Remote Similarity | NPC29326 |
0.6765 | Remote Similarity | NPC268927 |
0.6765 | Remote Similarity | NPC64250 |
0.6765 | Remote Similarity | NPC276928 |
0.6716 | Remote Similarity | NPC278209 |
0.6667 | Remote Similarity | NPC470781 |
0.662 | Remote Similarity | NPC226453 |
0.662 | Remote Similarity | NPC103130 |
0.65 | Remote Similarity | NPC312315 |
0.6494 | Remote Similarity | NPC126186 |
0.6463 | Remote Similarity | NPC84128 |
0.6463 | Remote Similarity | NPC53858 |
0.6444 | Remote Similarity | NPC117829 |
0.6438 | Remote Similarity | NPC327985 |
0.6406 | Remote Similarity | NPC316231 |
0.6406 | Remote Similarity | NPC324825 |
0.6406 | Remote Similarity | NPC112890 |
0.64 | Remote Similarity | NPC133183 |
0.6364 | Remote Similarity | NPC474576 |
0.6341 | Remote Similarity | NPC470783 |
0.6329 | Remote Similarity | NPC470782 |
0.6292 | Remote Similarity | NPC173763 |
0.6292 | Remote Similarity | NPC62263 |
0.6292 | Remote Similarity | NPC471098 |
0.629 | Remote Similarity | NPC118459 |
0.629 | Remote Similarity | NPC327698 |
0.6269 | Remote Similarity | NPC183845 |
0.6269 | Remote Similarity | NPC279661 |
0.625 | Remote Similarity | NPC474593 |
0.625 | Remote Similarity | NPC475801 |
0.623 | Remote Similarity | NPC276294 |
0.6197 | Remote Similarity | NPC177191 |
0.6136 | Remote Similarity | NPC322966 |
0.6136 | Remote Similarity | NPC275715 |
0.6098 | Remote Similarity | NPC31756 |
0.6094 | Remote Similarity | NPC101249 |
0.6053 | Remote Similarity | NPC107224 |
0.6026 | Remote Similarity | NPC328457 |
0.6024 | Remote Similarity | NPC476117 |
0.6024 | Remote Similarity | NPC476243 |
0.6024 | Remote Similarity | NPC476156 |
0.6024 | Remote Similarity | NPC476137 |
0.6022 | Remote Similarity | NPC473597 |
0.6 | Remote Similarity | NPC325534 |
0.6 | Remote Similarity | NPC476019 |
0.5977 | Remote Similarity | NPC69374 |
0.5977 | Remote Similarity | NPC90476 |
0.597 | Remote Similarity | NPC155156 |
0.597 | Remote Similarity | NPC200550 |
0.5952 | Remote Similarity | NPC476302 |
0.5946 | Remote Similarity | NPC57420 |
0.5915 | Remote Similarity | NPC189301 |
0.5915 | Remote Similarity | NPC176164 |
0.5909 | Remote Similarity | NPC62045 |
0.5909 | Remote Similarity | NPC226027 |
0.5909 | Remote Similarity | NPC245027 |
0.5909 | Remote Similarity | NPC174246 |
0.5909 | Remote Similarity | NPC43204 |
0.5909 | Remote Similarity | NPC84636 |
0.5909 | Remote Similarity | NPC162620 |
0.5895 | Remote Similarity | NPC475440 |
0.5882 | Remote Similarity | NPC197087 |
0.5882 | Remote Similarity | NPC190184 |
0.5873 | Remote Similarity | NPC198301 |
0.5867 | Remote Similarity | NPC472609 |
0.5867 | Remote Similarity | NPC207247 |
0.5867 | Remote Similarity | NPC475397 |
0.5867 | Remote Similarity | NPC278881 |
0.5867 | Remote Similarity | NPC473528 |
0.5867 | Remote Similarity | NPC474907 |
0.5857 | Remote Similarity | NPC325985 |
0.5857 | Remote Similarity | NPC38463 |
0.5833 | Remote Similarity | NPC254541 |
0.5833 | Remote Similarity | NPC320598 |
0.5824 | Remote Similarity | NPC477538 |
0.5821 | Remote Similarity | NPC273330 |
0.5821 | Remote Similarity | NPC204607 |
0.5821 | Remote Similarity | NPC137958 |
0.5806 | Remote Similarity | NPC313265 |
0.5797 | Remote Similarity | NPC272396 |
0.5795 | Remote Similarity | NPC469363 |
0.5781 | Remote Similarity | NPC329263 |
0.5775 | Remote Similarity | NPC317147 |
0.5775 | Remote Similarity | NPC318260 |
0.5765 | Remote Similarity | NPC23984 |
0.5758 | Remote Similarity | NPC323720 |
0.5758 | Remote Similarity | NPC128303 |
0.575 | Remote Similarity | NPC185084 |
0.5747 | Remote Similarity | NPC472351 |
0.5729 | Remote Similarity | NPC220234 |
0.5714 | Remote Similarity | NPC322573 |
0.5714 | Remote Similarity | NPC471097 |
0.5714 | Remote Similarity | NPC475149 |
0.57 | Remote Similarity | NPC241394 |
0.5699 | Remote Similarity | NPC301010 |
0.5672 | Remote Similarity | NPC17244 |
0.567 | Remote Similarity | NPC475791 |
0.567 | Remote Similarity | NPC13175 |
0.5645 | Remote Similarity | NPC121517 |
0.5645 | Remote Similarity | NPC168375 |
0.5645 | Remote Similarity | NPC326992 |
0.5638 | Remote Similarity | NPC280066 |
0.5632 | Remote Similarity | NPC235078 |
0.5625 | Remote Similarity | NPC323974 |
0.5618 | Remote Similarity | NPC477539 |
0.5616 | Remote Similarity | NPC327748 |
0.5616 | Remote Similarity | NPC321536 |
0.5616 | Remote Similarity | NPC316826 |
0.5616 | Remote Similarity | NPC321468 |
0.5616 | Remote Similarity | NPC317143 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC287693 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 |
---|---|---|---|
0.8226 | Intermediate Similarity | NPD8865 | Approved |
0.7971 | Intermediate Similarity | NPD2220 | Clinical (unspecified phase) |
0.7714 | Intermediate Similarity | NPD9649 | Approved |
0.7532 | Intermediate Similarity | NPD1125 | Discovery |
0.7286 | Intermediate Similarity | NPD8868 | Approved |
0.716 | Intermediate Similarity | NPD7759 | Phase 2 |
0.716 | Intermediate Similarity | NPD7760 | Phase 2 |
0.7143 | Intermediate Similarity | NPD4261 | Phase 1 |
0.7143 | Intermediate Similarity | NPD2682 | Approved |
0.7049 | Intermediate Similarity | NPD8808 | Approved |
0.7049 | Intermediate Similarity | NPD8809 | Approved |
0.6914 | Remote Similarity | NPD9577 | Approved |
0.6812 | Remote Similarity | NPD9014 | Approved |
0.6786 | Remote Similarity | NPD3177 | Phase 3 |
0.675 | Remote Similarity | NPD7763 | Phase 2 |
0.675 | Remote Similarity | NPD7762 | Phase 2 |
0.6716 | Remote Similarity | NPD9425 | Approved |
0.6667 | Remote Similarity | NPD3715 | Approved |
0.6667 | Remote Similarity | NPD2683 | Discontinued |
0.6667 | Remote Similarity | NPD3714 | Approved |
0.6667 | Remote Similarity | NPD3713 | Approved |
0.662 | Remote Similarity | NPD9048 | Approved |
0.662 | Remote Similarity | NPD9045 | Approved |
0.662 | Remote Similarity | NPD9046 | Phase 3 |
0.662 | Remote Similarity | NPD9047 | Approved |
0.6486 | Remote Similarity | NPD322 | Phase 1 |
0.6406 | Remote Similarity | NPD8950 | Approved |
0.6406 | Remote Similarity | NPD9044 | Approved |
0.64 | Remote Similarity | NPD620 | Approved |
0.6351 | Remote Similarity | NPD9231 | Phase 3 |
0.6351 | Remote Similarity | NPD9232 | Phase 2 |
0.6351 | Remote Similarity | NPD9233 | Phase 3 |
0.6324 | Remote Similarity | NPD1456 | Approved |
0.6304 | Remote Similarity | NPD8038 | Phase 2 |
0.6296 | Remote Similarity | NPD617 | Approved |
0.6286 | Remote Similarity | NPD9671 | Phase 2 |
0.6286 | Remote Similarity | NPD9670 | Phase 2 |
0.6154 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6143 | Remote Similarity | NPD8784 | Clinical (unspecified phase) |
0.6094 | Remote Similarity | NPD8866 | Approved |
0.6094 | Remote Similarity | NPD8867 | Approved |
0.6087 | Remote Similarity | NPD8979 | Approved |
0.6087 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD8980 | Approved |
0.6056 | Remote Similarity | NPD378 | Phase 3 |
0.6 | Remote Similarity | NPD8952 | Approved |
0.5921 | Remote Similarity | NPD9665 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD9666 | Clinical (unspecified phase) |
0.5914 | Remote Similarity | NPD7841 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD9018 | Approved |
0.5909 | Remote Similarity | NPD9017 | Approved |
0.5882 | Remote Similarity | NPD8785 | Approved |
0.5875 | Remote Similarity | NPD366 | Approved |
0.5862 | Remote Similarity | NPD9401 | Discovery |
0.5857 | Remote Similarity | NPD4281 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD9199 | Approved |
0.5851 | Remote Similarity | NPD1784 | Approved |
0.5844 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD8951 | Approved |
0.5833 | Remote Similarity | NPD9578 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD8872 | Phase 3 |
0.5821 | Remote Similarity | NPD8871 | Approved |
0.5814 | Remote Similarity | NPD614 | Discontinued |
0.5795 | Remote Similarity | NPD3723 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD1782 | Approved |
0.5694 | Remote Similarity | NPD9433 | Approved |
0.5679 | Remote Similarity | NPD9217 | Clinical (unspecified phase) |
0.5672 | Remote Similarity | NPD9230 | Discontinued |
0.567 | Remote Similarity | NPD6120 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD6122 | Discontinued |
0.5652 | Remote Similarity | NPD4780 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD8851 | Phase 1 |
0.5634 | Remote Similarity | NPD8864 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD9019 | Approved |
0.561 | Remote Similarity | NPD9198 | Approved |
PubChem CID   | 6993386;3013625 |
ChEMBL   | CHEMBL80548 |
ZINC   |
Molecular Weight:   | 172.08 |
ALogP:   | -2.5478 |
MLogP:   | 1.68 |
XLogP:   | -3.427 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 83.63 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 2 |
# Rings:   | 1 |
# Heavy Atoms:   | 12 |