Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 451000 | nM | 25380299 | |
NPT2 | Others | Unspecified | IC50 | = | 110000 | nM | 25380299 | |
NPT6343 | Individual Protein | Beta-galactosidase | Caldicellulosiruptor saccharolyticus (strain ATCC 43494 / DSM 8903) | IC50 | = | 660000 | nM | 23234407 |
NPT509 | Individual Protein | Beta-galactosidase | Bos taurus | IC50 | = | 890000 | nM | 18068273 |
NPT2 | Others | Unspecified | Inhibition | < | 50 | % | 18378360 | |
NPT503 | Individual Protein | Alpha-L-fucosidase I | Homo sapiens | Inhibition | < | 50 | % | 18341287 |
NPT2 | Others | Unspecified | IC50 | = | 57000 | nM | 17844994 | |
NPT507 | Individual Protein | Alpha-galactosidase | Coffea arabica | Inhibition | < | 50 | % | 17844994 |
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 NPC115800 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 | NPC163538 |
0.9688 | High Similarity | NPC306763 |
0.9688 | High Similarity | NPC266242 |
0.9688 | High Similarity | NPC254617 |
0.9688 | High Similarity | NPC74555 |
0.9538 | High Similarity | NPC473419 |
0.9538 | High Similarity | NPC475715 |
0.9538 | High Similarity | NPC475127 |
0.9531 | High Similarity | NPC184150 |
0.9531 | High Similarity | NPC59221 |
0.9531 | High Similarity | NPC141156 |
0.9385 | High Similarity | NPC474469 |
0.9375 | High Similarity | NPC294883 |
0.9375 | High Similarity | NPC12514 |
0.8551 | High Similarity | NPC473710 |
0.8551 | High Similarity | NPC475694 |
0.8529 | High Similarity | NPC34291 |
0.8529 | High Similarity | NPC126664 |
0.8088 | Intermediate Similarity | NPC233034 |
0.8056 | Intermediate Similarity | NPC474468 |
0.8 | Intermediate Similarity | NPC171850 |
0.7971 | Intermediate Similarity | NPC116377 |
0.7971 | Intermediate Similarity | NPC473952 |
0.7971 | Intermediate Similarity | NPC101746 |
0.7971 | Intermediate Similarity | NPC69798 |
0.7971 | Intermediate Similarity | NPC77191 |
0.7941 | Intermediate Similarity | NPC471419 |
0.7941 | Intermediate Similarity | NPC163134 |
0.7826 | Intermediate Similarity | NPC474928 |
0.7812 | Intermediate Similarity | NPC471423 |
0.7812 | Intermediate Similarity | NPC275727 |
0.7812 | Intermediate Similarity | NPC471442 |
0.7576 | Intermediate Similarity | NPC471605 |
0.7576 | Intermediate Similarity | NPC471443 |
0.7432 | Intermediate Similarity | NPC137554 |
0.7432 | Intermediate Similarity | NPC255535 |
0.7432 | Intermediate Similarity | NPC285014 |
0.7432 | Intermediate Similarity | NPC28959 |
0.7432 | Intermediate Similarity | NPC299603 |
0.7397 | Intermediate Similarity | NPC268922 |
0.7391 | Intermediate Similarity | NPC30126 |
0.7391 | Intermediate Similarity | NPC8087 |
0.7391 | Intermediate Similarity | NPC62507 |
0.7391 | Intermediate Similarity | NPC474014 |
0.7391 | Intermediate Similarity | NPC57846 |
0.7353 | Intermediate Similarity | NPC471421 |
0.7353 | Intermediate Similarity | NPC233364 |
0.7353 | Intermediate Similarity | NPC170172 |
0.726 | Intermediate Similarity | NPC471418 |
0.72 | Intermediate Similarity | NPC476695 |
0.72 | Intermediate Similarity | NPC476696 |
0.72 | Intermediate Similarity | NPC476694 |
0.6986 | Remote Similarity | NPC286851 |
0.6986 | Remote Similarity | NPC303798 |
0.6867 | Remote Similarity | NPC165119 |
0.6866 | Remote Similarity | NPC277072 |
0.6866 | Remote Similarity | NPC178263 |
0.686 | Remote Similarity | NPC52533 |
0.6849 | Remote Similarity | NPC198341 |
0.6849 | Remote Similarity | NPC223386 |
0.6849 | Remote Similarity | NPC142290 |
0.6849 | Remote Similarity | NPC75435 |
0.6849 | Remote Similarity | NPC471892 |
0.6849 | Remote Similarity | NPC471780 |
0.6812 | Remote Similarity | NPC10262 |
0.6812 | Remote Similarity | NPC293551 |
0.6812 | Remote Similarity | NPC65832 |
0.6812 | Remote Similarity | NPC311668 |
0.6757 | Remote Similarity | NPC315980 |
0.663 | Remote Similarity | NPC313821 |
0.6585 | Remote Similarity | NPC150557 |
0.6575 | Remote Similarity | NPC306462 |
0.6575 | Remote Similarity | NPC218150 |
0.6575 | Remote Similarity | NPC2432 |
0.6575 | Remote Similarity | NPC145627 |
0.6575 | Remote Similarity | NPC69669 |
0.6575 | Remote Similarity | NPC22774 |
0.6575 | Remote Similarity | NPC150680 |
0.6571 | Remote Similarity | NPC8979 |
0.6552 | Remote Similarity | NPC306838 |
0.6506 | Remote Similarity | NPC83248 |
0.6506 | Remote Similarity | NPC100204 |
0.6429 | Remote Similarity | NPC471420 |
0.6377 | Remote Similarity | NPC272396 |
0.6351 | Remote Similarity | NPC17455 |
0.6265 | Remote Similarity | NPC233108 |
0.6184 | Remote Similarity | NPC160661 |
0.6173 | Remote Similarity | NPC315806 |
0.6164 | Remote Similarity | NPC193593 |
0.6164 | Remote Similarity | NPC290106 |
0.6164 | Remote Similarity | NPC143809 |
0.6164 | Remote Similarity | NPC76726 |
0.6154 | Remote Similarity | NPC195165 |
0.6143 | Remote Similarity | NPC270041 |
0.61 | Remote Similarity | NPC471844 |
0.6067 | Remote Similarity | NPC469363 |
0.6027 | Remote Similarity | NPC204709 |
0.6 | Remote Similarity | NPC327753 |
0.6 | Remote Similarity | NPC327486 |
0.6 | Remote Similarity | NPC123814 |
0.6 | Remote Similarity | NPC223174 |
0.5977 | Remote Similarity | NPC36927 |
0.5977 | Remote Similarity | NPC271772 |
0.596 | Remote Similarity | NPC314387 |
0.5955 | Remote Similarity | NPC277918 |
0.5946 | Remote Similarity | NPC319991 |
0.5926 | Remote Similarity | NPC477200 |
0.5882 | Remote Similarity | NPC96966 |
0.5882 | Remote Similarity | NPC121062 |
0.5882 | Remote Similarity | NPC29222 |
0.5867 | Remote Similarity | NPC201338 |
0.5867 | Remote Similarity | NPC474627 |
0.5867 | Remote Similarity | NPC328786 |
0.5814 | Remote Similarity | NPC98750 |
0.5789 | Remote Similarity | NPC112398 |
0.5783 | Remote Similarity | NPC126186 |
0.5775 | Remote Similarity | NPC474322 |
0.5765 | Remote Similarity | NPC329077 |
0.575 | Remote Similarity | NPC316445 |
0.5747 | Remote Similarity | NPC70574 |
0.5699 | Remote Similarity | NPC322966 |
0.5698 | Remote Similarity | NPC314968 |
0.5698 | Remote Similarity | NPC314772 |
0.5658 | Remote Similarity | NPC319131 |
0.5647 | Remote Similarity | NPC470782 |
0.5647 | Remote Similarity | NPC264417 |
0.5647 | Remote Similarity | NPC217095 |
0.5632 | Remote Similarity | NPC316807 |
0.5625 | Remote Similarity | NPC322801 |
0.5625 | Remote Similarity | NPC291650 |
0.5625 | Remote Similarity | NPC129100 |
0.5616 | Remote Similarity | NPC471917 |
0.5612 | Remote Similarity | NPC471843 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC115800 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 |
---|---|---|---|
0.9688 | High Similarity | NPD9444 | Discontinued |
0.8529 | High Similarity | NPD9443 | Clinical (unspecified phase) |
0.8088 | Intermediate Similarity | NPD9440 | Discontinued |
0.7647 | Intermediate Similarity | NPD393 | Approved |
0.75 | Intermediate Similarity | NPD9455 | Approved |
0.75 | Intermediate Similarity | NPD882 | Phase 2 |
0.75 | Intermediate Similarity | NPD883 | Phase 2 |
0.7 | Intermediate Similarity | NPD9240 | Approved |
0.7 | Intermediate Similarity | NPD9239 | Approved |
0.663 | Remote Similarity | NPD3190 | Approved |
0.663 | Remote Similarity | NPD3191 | Approved |
0.663 | Remote Similarity | NPD3189 | Approved |
0.6622 | Remote Similarity | NPD1457 | Discontinued |
0.6575 | Remote Similarity | NPD9027 | Phase 3 |
0.6575 | Remote Similarity | NPD9029 | Phase 3 |
0.6575 | Remote Similarity | NPD9026 | Phase 2 |
0.6575 | Remote Similarity | NPD9028 | Phase 2 |
0.625 | Remote Similarity | NPD394 | Phase 3 |
0.6173 | Remote Similarity | NPD9653 | Clinical (unspecified phase) |
0.6145 | Remote Similarity | NPD372 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD9445 | Approved |
0.6 | Remote Similarity | NPD3215 | Phase 1 |
0.5977 | Remote Similarity | NPD2691 | Clinical (unspecified phase) |
0.596 | Remote Similarity | NPD3183 | Approved |
0.596 | Remote Similarity | NPD3184 | Approved |
0.596 | Remote Similarity | NPD3185 | Approved |
0.596 | Remote Similarity | NPD3182 | Approved |
0.5955 | Remote Similarity | NPD9401 | Discovery |
0.5761 | Remote Similarity | NPD3177 | Phase 3 |
0.5714 | Remote Similarity | NPD619 | Phase 3 |
0.5714 | Remote Similarity | NPD3723 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD3214 | Discontinued |
0.5698 | Remote Similarity | NPD9434 | Approved |
0.5698 | Remote Similarity | NPD9435 | Approved |
0.5663 | Remote Similarity | NPD6704 | Discontinued |
0.5663 | Remote Similarity | NPD3187 | Discontinued |
0.5647 | Remote Similarity | NPD9407 | Approved |
0.5625 | Remote Similarity | NPD9030 | Approved |
0.5625 | Remote Similarity | NPD9031 | Approved |
0.5625 | Remote Similarity | NPD9032 | Approved |
0.5625 | Remote Similarity | NPD9033 | Approved |
0.561 | Remote Similarity | NPD2220 | Clinical (unspecified phase) |
PubChem CID   | 10608892 |
ChEMBL   | CHEMBL388095 |
ZINC   |
Molecular Weight:   | 219.11 |
ALogP:   | -2.5782 |
MLogP:   | 1.79 |
XLogP:   | -1.933 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 104.39 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 5 |
# Rings:   | 2 |
# Heavy Atoms:   | 15 |