Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Ki | = | 4000 | nM | 8988598 | |
NPT2 | Others | Unspecified | Ki | = | 7000 | nM | 8988598 | |
NPT960 | Organism | Medicago sativa | Medicago sativa | Inhibition | = | 50 | % | 8988598 |
NPT960 | Organism | Medicago sativa | Medicago sativa | Activity | = | 37 | % | 8988598 |
NPT960 | Organism | Medicago sativa | Medicago sativa | Activity | = | 46 | % | 8988598 |
NPT960 | Organism | Medicago sativa | Medicago sativa | Activity | = | 12 | % | 8988598 |
NPT960 | Organism | Medicago sativa | Medicago sativa | Activity | = | 40 | % | 8988598 |
NPT2 | Others | Unspecified | Inhibition | = | 50 | % | 7673932 | |
NPT4561 | Individual Protein | Alpha-galactosidase | Aspergillus niger | Inhibition | = | 50 | % | 7673932 |
NPT61 | Individual Protein | Beta-glucocerebrosidase | Homo sapiens | IC50 | = | 1000 | nM | 21292481 |
NPT61 | Individual Protein | Beta-glucocerebrosidase | Homo sapiens | IC50 | = | 5100 | nM | 24657053 |
NPT61 | Individual Protein | Beta-glucocerebrosidase | Homo sapiens | Ki | = | 3800 | nM | 24657053 |
NPT61 | Individual Protein | Beta-glucocerebrosidase | Homo sapiens | Activity | > | 68 | % | 24657053 |
NPT61 | Individual Protein | Beta-glucocerebrosidase | Homo sapiens | FC | = | 1.7 | 24657053 |
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 NPC137554 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 | NPC28959 |
1.0 | High Similarity | NPC299603 |
1.0 | High Similarity | NPC285014 |
1.0 | High Similarity | NPC255535 |
0.9231 | High Similarity | NPC77191 |
0.9231 | High Similarity | NPC101746 |
0.9231 | High Similarity | NPC69798 |
0.9231 | High Similarity | NPC116377 |
0.9231 | High Similarity | NPC315980 |
0.9231 | High Similarity | NPC473952 |
0.9077 | High Similarity | NPC471892 |
0.9077 | High Similarity | NPC471780 |
0.9077 | High Similarity | NPC223386 |
0.9077 | High Similarity | NPC75435 |
0.9077 | High Similarity | NPC142290 |
0.9077 | High Similarity | NPC198341 |
0.8939 | High Similarity | NPC286851 |
0.8939 | High Similarity | NPC303798 |
0.8788 | High Similarity | NPC474928 |
0.8769 | High Similarity | NPC69669 |
0.8769 | High Similarity | NPC22774 |
0.8769 | High Similarity | NPC150680 |
0.8769 | High Similarity | NPC218150 |
0.8769 | High Similarity | NPC306462 |
0.8769 | High Similarity | NPC2432 |
0.8696 | High Similarity | NPC475694 |
0.8696 | High Similarity | NPC473710 |
0.8676 | High Similarity | NPC471418 |
0.8615 | High Similarity | NPC62507 |
0.8615 | High Similarity | NPC8087 |
0.8551 | High Similarity | NPC268922 |
0.8451 | Intermediate Similarity | NPC474468 |
0.8406 | Intermediate Similarity | NPC126664 |
0.8406 | Intermediate Similarity | NPC34291 |
0.8333 | Intermediate Similarity | NPC474014 |
0.8333 | Intermediate Similarity | NPC57846 |
0.8333 | Intermediate Similarity | NPC30126 |
0.831 | Intermediate Similarity | NPC476696 |
0.831 | Intermediate Similarity | NPC476694 |
0.831 | Intermediate Similarity | NPC476695 |
0.8308 | Intermediate Similarity | NPC290106 |
0.8308 | Intermediate Similarity | NPC143809 |
0.8308 | Intermediate Similarity | NPC76726 |
0.8308 | Intermediate Similarity | NPC193593 |
0.8 | Intermediate Similarity | NPC311668 |
0.8 | Intermediate Similarity | NPC65832 |
0.8 | Intermediate Similarity | NPC10262 |
0.7971 | Intermediate Similarity | NPC233034 |
0.7879 | Intermediate Similarity | NPC204709 |
0.7848 | Intermediate Similarity | NPC165119 |
0.7826 | Intermediate Similarity | NPC471419 |
0.7826 | Intermediate Similarity | NPC163134 |
0.7761 | Intermediate Similarity | NPC170172 |
0.7538 | Intermediate Similarity | NPC272396 |
0.747 | Intermediate Similarity | NPC306838 |
0.7468 | Intermediate Similarity | NPC100204 |
0.7468 | Intermediate Similarity | NPC83248 |
0.7432 | Intermediate Similarity | NPC163538 |
0.7432 | Intermediate Similarity | NPC115800 |
0.7397 | Intermediate Similarity | NPC474469 |
0.7361 | Intermediate Similarity | NPC12514 |
0.7361 | Intermediate Similarity | NPC294883 |
0.7297 | Intermediate Similarity | NPC473419 |
0.7297 | Intermediate Similarity | NPC475127 |
0.7297 | Intermediate Similarity | NPC475715 |
0.7284 | Intermediate Similarity | NPC36927 |
0.7284 | Intermediate Similarity | NPC271772 |
0.726 | Intermediate Similarity | NPC184150 |
0.726 | Intermediate Similarity | NPC141156 |
0.7246 | Intermediate Similarity | NPC471421 |
0.7246 | Intermediate Similarity | NPC233364 |
0.7164 | Intermediate Similarity | NPC275727 |
0.7162 | Intermediate Similarity | NPC171850 |
0.7162 | Intermediate Similarity | NPC266242 |
0.7162 | Intermediate Similarity | NPC74555 |
0.7162 | Intermediate Similarity | NPC254617 |
0.7162 | Intermediate Similarity | NPC306763 |
0.7143 | Intermediate Similarity | NPC469363 |
0.7125 | Intermediate Similarity | NPC98750 |
0.7037 | Intermediate Similarity | NPC70574 |
0.7027 | Intermediate Similarity | NPC59221 |
0.7027 | Intermediate Similarity | NPC291650 |
0.7027 | Intermediate Similarity | NPC322801 |
0.7027 | Intermediate Similarity | NPC129100 |
0.6765 | Remote Similarity | NPC277072 |
0.6765 | Remote Similarity | NPC178263 |
0.6747 | Remote Similarity | NPC219340 |
0.6543 | Remote Similarity | NPC244539 |
0.6506 | Remote Similarity | NPC150557 |
0.6494 | Remote Similarity | NPC107224 |
0.6479 | Remote Similarity | NPC8979 |
0.6463 | Remote Similarity | NPC313762 |
0.6456 | Remote Similarity | NPC306973 |
0.6364 | Remote Similarity | NPC78312 |
0.6364 | Remote Similarity | NPC135539 |
0.6364 | Remote Similarity | NPC196359 |
0.6364 | Remote Similarity | NPC221764 |
0.6353 | Remote Similarity | NPC471420 |
0.6267 | Remote Similarity | NPC17455 |
0.625 | Remote Similarity | NPC315170 |
0.6173 | Remote Similarity | NPC185084 |
0.6145 | Remote Similarity | NPC477002 |
0.6125 | Remote Similarity | NPC223174 |
0.6125 | Remote Similarity | NPC327753 |
0.6125 | Remote Similarity | NPC327486 |
0.6047 | Remote Similarity | NPC318258 |
0.6042 | Remote Similarity | NPC313821 |
0.602 | Remote Similarity | NPC56298 |
0.602 | Remote Similarity | NPC471628 |
0.602 | Remote Similarity | NPC315036 |
0.5934 | Remote Similarity | NPC313552 |
0.5915 | Remote Similarity | NPC123814 |
0.5909 | Remote Similarity | NPC315969 |
0.587 | Remote Similarity | NPC470282 |
0.587 | Remote Similarity | NPC214376 |
0.5862 | Remote Similarity | NPC314762 |
0.5843 | Remote Similarity | NPC263058 |
0.5814 | Remote Similarity | NPC314968 |
0.5814 | Remote Similarity | NPC314772 |
0.5811 | Remote Similarity | NPC293551 |
0.5797 | Remote Similarity | NPC121062 |
0.5797 | Remote Similarity | NPC29222 |
0.5797 | Remote Similarity | NPC96966 |
0.5753 | Remote Similarity | NPC471423 |
0.5753 | Remote Similarity | NPC471442 |
0.5745 | Remote Similarity | NPC176381 |
0.5745 | Remote Similarity | NPC195969 |
0.5714 | Remote Similarity | NPC160066 |
0.5714 | Remote Similarity | NPC26932 |
0.5714 | Remote Similarity | NPC315806 |
0.5696 | Remote Similarity | NPC472609 |
0.5694 | Remote Similarity | NPC474322 |
0.5679 | Remote Similarity | NPC316445 |
0.5673 | Remote Similarity | NPC313272 |
0.5673 | Remote Similarity | NPC319537 |
0.5658 | Remote Similarity | NPC276928 |
0.5658 | Remote Similarity | NPC64250 |
0.5658 | Remote Similarity | NPC319991 |
0.5658 | Remote Similarity | NPC268927 |
0.5641 | Remote Similarity | NPC145627 |
0.561 | Remote Similarity | NPC223893 |
0.56 | Remote Similarity | NPC471605 |
0.56 | Remote Similarity | NPC471443 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC137554 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 |
---|---|---|---|
0.8769 | High Similarity | NPD9027 | Phase 3 |
0.8769 | High Similarity | NPD9026 | Phase 2 |
0.8769 | High Similarity | NPD9028 | Phase 2 |
0.8769 | High Similarity | NPD9029 | Phase 3 |
0.8406 | Intermediate Similarity | NPD9443 | Clinical (unspecified phase) |
0.7971 | Intermediate Similarity | NPD9440 | Discontinued |
0.7647 | Intermediate Similarity | NPD9455 | Approved |
0.7647 | Intermediate Similarity | NPD9240 | Approved |
0.7647 | Intermediate Similarity | NPD9239 | Approved |
0.7639 | Intermediate Similarity | NPD9444 | Discontinued |
0.7536 | Intermediate Similarity | NPD393 | Approved |
0.7286 | Intermediate Similarity | NPD9024 | Phase 2 |
0.7286 | Intermediate Similarity | NPD9022 | Phase 2 |
0.7229 | Intermediate Similarity | NPD9401 | Discovery |
0.7027 | Intermediate Similarity | NPD9033 | Approved |
0.7027 | Intermediate Similarity | NPD9030 | Approved |
0.7027 | Intermediate Similarity | NPD9032 | Approved |
0.7027 | Intermediate Similarity | NPD9031 | Approved |
0.6988 | Remote Similarity | NPD883 | Phase 2 |
0.6988 | Remote Similarity | NPD882 | Phase 2 |
0.6941 | Remote Similarity | NPD394 | Phase 3 |
0.65 | Remote Similarity | NPD67 | Phase 2 |
0.65 | Remote Similarity | NPD9034 | Approved |
0.6364 | Remote Similarity | NPD8868 | Approved |
0.6125 | Remote Similarity | NPD9445 | Approved |
0.6042 | Remote Similarity | NPD3191 | Approved |
0.6042 | Remote Similarity | NPD3189 | Approved |
0.6042 | Remote Similarity | NPD3190 | Approved |
0.602 | Remote Similarity | NPD4835 | Approved |
0.602 | Remote Similarity | NPD4836 | Approved |
0.602 | Remote Similarity | NPD4837 | Approved |
0.602 | Remote Similarity | NPD4838 | Approved |
0.5915 | Remote Similarity | NPD3215 | Phase 1 |
0.5882 | Remote Similarity | NPD372 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD2698 | Approved |
0.5862 | Remote Similarity | NPD9429 | Discontinued |
0.5816 | Remote Similarity | NPD4282 | Approved |
0.5814 | Remote Similarity | NPD9434 | Approved |
0.5814 | Remote Similarity | NPD9435 | Approved |
0.5784 | Remote Similarity | NPD2700 | Approved |
0.5765 | Remote Similarity | NPD9407 | Approved |
0.5745 | Remote Similarity | NPD5797 | Approved |
0.5745 | Remote Similarity | NPD5794 | Approved |
0.5745 | Remote Similarity | NPD5796 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD5798 | Approved |
0.5745 | Remote Similarity | NPD5795 | Approved |
0.5714 | Remote Similarity | NPD9653 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.5634 | Remote Similarity | NPD3214 | Discontinued |
PubChem CID   | 124434 |
ChEMBL   | CHEMBL526330 |
ZINC   |
Molecular Weight:   | 175.08 |
ALogP:   | -3.0192 |
MLogP:   | 1.68 |
XLogP:   | -0.255 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 92.95 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 5 |
# Rings:   | 2 |
# Heavy Atoms:   | 12 |