Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | TCMSP* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO14964 | Calvatia gigantea | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO17030 | Calvatia lilacina | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | Ki | = | 30000000 | nM | 21955456 |
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 NPC135539 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 | NPC221764 |
1.0 | High Similarity | NPC78312 |
1.0 | High Similarity | NPC196359 |
0.875 | High Similarity | NPC160661 |
0.8689 | High Similarity | NPC11433 |
0.8689 | High Similarity | NPC302003 |
0.8689 | High Similarity | NPC245346 |
0.8358 | Intermediate Similarity | NPC107224 |
0.7742 | Intermediate Similarity | NPC272396 |
0.7656 | Intermediate Similarity | NPC65832 |
0.7656 | Intermediate Similarity | NPC311668 |
0.7656 | Intermediate Similarity | NPC10262 |
0.7639 | Intermediate Similarity | NPC185084 |
0.7465 | Intermediate Similarity | NPC15864 |
0.7391 | Intermediate Similarity | NPC472609 |
0.7286 | Intermediate Similarity | NPC287693 |
0.7273 | Intermediate Similarity | NPC190385 |
0.7222 | Intermediate Similarity | NPC322274 |
0.7206 | Intermediate Similarity | NPC8087 |
0.7206 | Intermediate Similarity | NPC474014 |
0.7206 | Intermediate Similarity | NPC57846 |
0.7206 | Intermediate Similarity | NPC30126 |
0.7206 | Intermediate Similarity | NPC62507 |
0.7164 | Intermediate Similarity | NPC268927 |
0.7164 | Intermediate Similarity | NPC64250 |
0.7164 | Intermediate Similarity | NPC276928 |
0.7089 | Intermediate Similarity | NPC219340 |
0.7067 | Intermediate Similarity | NPC320221 |
0.7031 | Intermediate Similarity | NPC333075 |
0.7031 | Intermediate Similarity | NPC274499 |
0.7031 | Intermediate Similarity | NPC8488 |
0.6935 | Remote Similarity | NPC93081 |
0.6935 | Remote Similarity | NPC140872 |
0.6901 | Remote Similarity | NPC474928 |
0.6806 | Remote Similarity | NPC473952 |
0.6806 | Remote Similarity | NPC116377 |
0.6806 | Remote Similarity | NPC101746 |
0.6806 | Remote Similarity | NPC69798 |
0.6806 | Remote Similarity | NPC77191 |
0.6761 | Remote Similarity | NPC88898 |
0.6761 | Remote Similarity | NPC106216 |
0.6753 | Remote Similarity | NPC327272 |
0.6714 | Remote Similarity | NPC118429 |
0.6667 | Remote Similarity | NPC469363 |
0.6571 | Remote Similarity | NPC68974 |
0.6567 | Remote Similarity | NPC275727 |
0.6528 | Remote Similarity | NPC103130 |
0.6528 | Remote Similarity | NPC226453 |
0.6508 | Remote Similarity | NPC136159 |
0.6508 | Remote Similarity | NPC101249 |
0.6494 | Remote Similarity | NPC29326 |
0.6452 | Remote Similarity | NPC327698 |
0.6452 | Remote Similarity | NPC118459 |
0.6447 | Remote Similarity | NPC473710 |
0.6447 | Remote Similarity | NPC475694 |
0.6429 | Remote Similarity | NPC290106 |
0.6429 | Remote Similarity | NPC76726 |
0.6429 | Remote Similarity | NPC143809 |
0.6429 | Remote Similarity | NPC193593 |
0.6418 | Remote Similarity | NPC183845 |
0.6418 | Remote Similarity | NPC279661 |
0.6393 | Remote Similarity | NPC276294 |
0.6377 | Remote Similarity | NPC278209 |
0.6364 | Remote Similarity | NPC255535 |
0.6364 | Remote Similarity | NPC299603 |
0.6364 | Remote Similarity | NPC200550 |
0.6364 | Remote Similarity | NPC155156 |
0.6364 | Remote Similarity | NPC137554 |
0.6364 | Remote Similarity | NPC28959 |
0.6364 | Remote Similarity | NPC285014 |
0.6351 | Remote Similarity | NPC327985 |
0.6308 | Remote Similarity | NPC324825 |
0.6308 | Remote Similarity | NPC270805 |
0.6308 | Remote Similarity | NPC93888 |
0.6308 | Remote Similarity | NPC316231 |
0.6308 | Remote Similarity | NPC112890 |
0.629 | Remote Similarity | NPC198301 |
0.6286 | Remote Similarity | NPC204709 |
0.6282 | Remote Similarity | NPC474468 |
0.625 | Remote Similarity | NPC322206 |
0.6164 | Remote Similarity | NPC306462 |
0.6164 | Remote Similarity | NPC150680 |
0.6164 | Remote Similarity | NPC218150 |
0.6164 | Remote Similarity | NPC22774 |
0.6164 | Remote Similarity | NPC2432 |
0.6164 | Remote Similarity | NPC69669 |
0.6154 | Remote Similarity | NPC306973 |
0.6133 | Remote Similarity | NPC315980 |
0.6133 | Remote Similarity | NPC325534 |
0.6111 | Remote Similarity | NPC177191 |
0.6104 | Remote Similarity | NPC133183 |
0.6092 | Remote Similarity | NPC90476 |
0.6092 | Remote Similarity | NPC69374 |
0.6076 | Remote Similarity | NPC55274 |
0.6061 | Remote Similarity | NPC43204 |
0.6061 | Remote Similarity | NPC226027 |
0.6061 | Remote Similarity | NPC245027 |
0.6061 | Remote Similarity | NPC174246 |
0.6061 | Remote Similarity | NPC162620 |
0.6061 | Remote Similarity | NPC84636 |
0.6061 | Remote Similarity | NPC62045 |
0.6056 | Remote Similarity | NPC112224 |
0.6056 | Remote Similarity | NPC327895 |
0.6056 | Remote Similarity | NPC43169 |
0.6056 | Remote Similarity | NPC93861 |
0.6 | Remote Similarity | NPC198341 |
0.6 | Remote Similarity | NPC471892 |
0.6 | Remote Similarity | NPC223386 |
0.6 | Remote Similarity | NPC75435 |
0.6 | Remote Similarity | NPC471780 |
0.6 | Remote Similarity | NPC126186 |
0.6 | Remote Similarity | NPC278881 |
0.6 | Remote Similarity | NPC142290 |
0.5976 | Remote Similarity | NPC315780 |
0.597 | Remote Similarity | NPC273330 |
0.597 | Remote Similarity | NPC137958 |
0.5952 | Remote Similarity | NPC100204 |
0.5952 | Remote Similarity | NPC83248 |
0.5949 | Remote Similarity | NPC328457 |
0.5942 | Remote Similarity | NPC322091 |
0.5942 | Remote Similarity | NPC60672 |
0.5938 | Remote Similarity | NPC208793 |
0.5938 | Remote Similarity | NPC285322 |
0.5921 | Remote Similarity | NPC286851 |
0.5921 | Remote Similarity | NPC303798 |
0.5909 | Remote Similarity | NPC153370 |
0.5909 | Remote Similarity | NPC327542 |
0.5889 | Remote Similarity | NPC322966 |
0.5889 | Remote Similarity | NPC275715 |
0.5882 | Remote Similarity | NPC470783 |
0.5882 | Remote Similarity | NPC475542 |
0.5857 | Remote Similarity | NPC2801 |
0.5854 | Remote Similarity | NPC470782 |
0.5846 | Remote Similarity | NPC309658 |
0.5844 | Remote Similarity | NPC118524 |
0.5833 | Remote Similarity | NPC189301 |
0.5833 | Remote Similarity | NPC176164 |
0.5806 | Remote Similarity | NPC326992 |
0.5806 | Remote Similarity | NPC168375 |
0.5806 | Remote Similarity | NPC121517 |
0.5802 | Remote Similarity | NPC208657 |
0.5797 | Remote Similarity | NPC197087 |
0.5797 | Remote Similarity | NPC190184 |
0.5789 | Remote Similarity | NPC233034 |
0.5781 | Remote Similarity | NPC323974 |
0.5775 | Remote Similarity | NPC325985 |
0.5775 | Remote Similarity | NPC38463 |
0.5769 | Remote Similarity | NPC471418 |
0.5753 | Remote Similarity | NPC254541 |
0.5753 | Remote Similarity | NPC473599 |
0.5753 | Remote Similarity | NPC320598 |
0.5747 | Remote Similarity | NPC165119 |
0.5735 | Remote Similarity | NPC27359 |
0.5735 | Remote Similarity | NPC295832 |
0.5735 | Remote Similarity | NPC198398 |
0.5714 | Remote Similarity | NPC37681 |
0.5714 | Remote Similarity | NPC233108 |
0.5714 | Remote Similarity | NPC294883 |
0.5714 | Remote Similarity | NPC12514 |
0.57 | Remote Similarity | NPC128303 |
0.5696 | Remote Similarity | NPC268922 |
0.5692 | Remote Similarity | NPC329263 |
0.567 | Remote Similarity | NPC158394 |
0.5658 | Remote Similarity | NPC315744 |
0.5658 | Remote Similarity | NPC57420 |
0.5644 | Remote Similarity | NPC241394 |
0.5641 | Remote Similarity | NPC141156 |
0.5641 | Remote Similarity | NPC184150 |
0.5641 | Remote Similarity | NPC59221 |
0.5634 | Remote Similarity | NPC327831 |
0.5625 | Remote Similarity | NPC291186 |
0.5625 | Remote Similarity | NPC167986 |
0.5618 | Remote Similarity | NPC277918 |
0.5604 | Remote Similarity | NPC52533 |
0.56 | Remote Similarity | NPC314510 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC135539 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 | NPD8868 | Approved |
0.8689 | High Similarity | NPD8865 | Approved |
0.7273 | Intermediate Similarity | NPD9023 | Clinical (unspecified phase) |
0.6935 | Remote Similarity | NPD8808 | Approved |
0.6935 | Remote Similarity | NPD8809 | Approved |
0.6714 | Remote Similarity | NPD9014 | Approved |
0.6667 | Remote Similarity | NPD4261 | Phase 1 |
0.6625 | Remote Similarity | NPD617 | Approved |
0.6528 | Remote Similarity | NPD9047 | Approved |
0.6528 | Remote Similarity | NPD9045 | Approved |
0.6528 | Remote Similarity | NPD9046 | Phase 3 |
0.6528 | Remote Similarity | NPD9048 | Approved |
0.6508 | Remote Similarity | NPD8867 | Approved |
0.6508 | Remote Similarity | NPD8866 | Approved |
0.6322 | Remote Similarity | NPD3177 | Phase 3 |
0.6308 | Remote Similarity | NPD8624 | Approved |
0.6308 | Remote Similarity | NPD9044 | Approved |
0.6308 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6267 | Remote Similarity | NPD9231 | Phase 3 |
0.6267 | Remote Similarity | NPD9232 | Phase 2 |
0.6267 | Remote Similarity | NPD9233 | Phase 3 |
0.6234 | Remote Similarity | NPD9649 | Approved |
0.6234 | Remote Similarity | NPD2220 | Clinical (unspecified phase) |
0.6203 | Remote Similarity | NPD366 | Approved |
0.6164 | Remote Similarity | NPD9026 | Phase 2 |
0.6164 | Remote Similarity | NPD9029 | Phase 3 |
0.6164 | Remote Similarity | NPD9027 | Phase 3 |
0.6164 | Remote Similarity | NPD9028 | Phase 2 |
0.6133 | Remote Similarity | NPD8952 | Approved |
0.6061 | Remote Similarity | NPD9017 | Approved |
0.6061 | Remote Similarity | NPD9018 | Approved |
0.6047 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.6027 | Remote Similarity | NPD9022 | Phase 2 |
0.6027 | Remote Similarity | NPD9024 | Phase 2 |
0.6 | Remote Similarity | NPD8980 | Approved |
0.6 | Remote Similarity | NPD9217 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8979 | Approved |
0.6 | Remote Similarity | NPD8972 | Approved |
0.6 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8973 | Approved |
0.5977 | Remote Similarity | NPD9401 | Discovery |
0.5974 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD8872 | Phase 3 |
0.597 | Remote Similarity | NPD8871 | Approved |
0.5938 | Remote Similarity | NPD8610 | Approved |
0.593 | Remote Similarity | NPD883 | Phase 2 |
0.593 | Remote Similarity | NPD882 | Phase 2 |
0.5921 | Remote Similarity | NPD9442 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD8614 | Approved |
0.589 | Remote Similarity | NPD9239 | Approved |
0.589 | Remote Similarity | NPD9240 | Approved |
0.5833 | Remote Similarity | NPD8848 | Approved |
0.5811 | Remote Similarity | NPD3192 | Approved |
0.5811 | Remote Similarity | NPD3193 | Approved |
0.5797 | Remote Similarity | NPD8785 | Approved |
0.5797 | Remote Similarity | NPD8851 | Phase 1 |
0.5789 | Remote Similarity | NPD9440 | Discontinued |
0.5781 | Remote Similarity | NPD9019 | Approved |
0.5761 | Remote Similarity | NPD2682 | Approved |
0.5753 | Remote Similarity | NPD8951 | Approved |
0.5735 | Remote Similarity | NPD9225 | Phase 3 |
0.5735 | Remote Similarity | NPD9226 | Approved |
0.5729 | Remote Similarity | NPD3715 | Approved |
0.5729 | Remote Similarity | NPD3713 | Approved |
0.5729 | Remote Similarity | NPD8038 | Phase 2 |
0.5729 | Remote Similarity | NPD3714 | Approved |
0.5714 | Remote Similarity | NPD631 | Approved |
0.5714 | Remote Similarity | NPD630 | Approved |
0.5641 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.5632 | Remote Similarity | NPD1125 | Discovery |
0.5625 | Remote Similarity | NPD8805 | Approved |
0.5625 | Remote Similarity | NPD8804 | Approved |
0.5616 | Remote Similarity | NPD9433 | Approved |
PubChem CID   | 440015;6971054 |
ChEMBL   | CHEMBL1233477 |
ZINC   |
Molecular Weight:   | 131.06 |
ALogP:   | -1.6044 |
MLogP:   | 1.57 |
XLogP:   | -0.786 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 69.56 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 1 |
# Heavy Atoms:   | 9 |