Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | IC50 | > | 10 | ug/ml | 25337628 |
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 NPC42590 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 |
---|---|---|
0.8241 | Intermediate Similarity | NPC168733 |
0.8131 | Intermediate Similarity | NPC259476 |
0.7928 | Intermediate Similarity | NPC92829 |
0.7876 | Intermediate Similarity | NPC122404 |
0.7652 | Intermediate Similarity | NPC24462 |
0.7632 | Intermediate Similarity | NPC7797 |
0.7373 | Intermediate Similarity | NPC216335 |
0.6694 | Remote Similarity | NPC106479 |
0.6583 | Remote Similarity | NPC46764 |
0.6455 | Remote Similarity | NPC61688 |
0.6449 | Remote Similarity | NPC477434 |
0.6449 | Remote Similarity | NPC34984 |
0.6449 | Remote Similarity | NPC25037 |
0.6429 | Remote Similarity | NPC226513 |
0.6364 | Remote Similarity | NPC477614 |
0.6364 | Remote Similarity | NPC226491 |
0.6346 | Remote Similarity | NPC200085 |
0.6346 | Remote Similarity | NPC314858 |
0.6346 | Remote Similarity | NPC253703 |
0.6346 | Remote Similarity | NPC51695 |
0.6346 | Remote Similarity | NPC475725 |
0.6321 | Remote Similarity | NPC50658 |
0.6306 | Remote Similarity | NPC67653 |
0.6306 | Remote Similarity | NPC471459 |
0.6306 | Remote Similarity | NPC200580 |
0.6306 | Remote Similarity | NPC477443 |
0.6306 | Remote Similarity | NPC477440 |
0.6296 | Remote Similarity | NPC475689 |
0.6286 | Remote Similarity | NPC275243 |
0.625 | Remote Similarity | NPC477433 |
0.625 | Remote Similarity | NPC307865 |
0.625 | Remote Similarity | NPC475056 |
0.625 | Remote Similarity | NPC477444 |
0.625 | Remote Similarity | NPC477442 |
0.6228 | Remote Similarity | NPC247877 |
0.6228 | Remote Similarity | NPC309127 |
0.6226 | Remote Similarity | NPC134227 |
0.6216 | Remote Similarity | NPC471221 |
0.6216 | Remote Similarity | NPC90676 |
0.6182 | Remote Similarity | NPC120395 |
0.6182 | Remote Similarity | NPC80700 |
0.6176 | Remote Similarity | NPC109510 |
0.6176 | Remote Similarity | NPC474755 |
0.6147 | Remote Similarity | NPC50438 |
0.6121 | Remote Similarity | NPC193785 |
0.6111 | Remote Similarity | NPC470540 |
0.6091 | Remote Similarity | NPC473350 |
0.6087 | Remote Similarity | NPC470424 |
0.6075 | Remote Similarity | NPC125366 |
0.6055 | Remote Similarity | NPC472847 |
0.6055 | Remote Similarity | NPC15091 |
0.6047 | Remote Similarity | NPC323532 |
0.6036 | Remote Similarity | NPC477441 |
0.6036 | Remote Similarity | NPC475729 |
0.6036 | Remote Similarity | NPC476717 |
0.6036 | Remote Similarity | NPC474215 |
0.6034 | Remote Similarity | NPC17336 |
0.6019 | Remote Similarity | NPC58631 |
0.6017 | Remote Similarity | NPC474952 |
0.6 | Remote Similarity | NPC472237 |
0.6 | Remote Similarity | NPC472984 |
0.6 | Remote Similarity | NPC472487 |
0.6 | Remote Similarity | NPC105895 |
0.6 | Remote Similarity | NPC237938 |
0.6 | Remote Similarity | NPC476189 |
0.6 | Remote Similarity | NPC219535 |
0.6 | Remote Similarity | NPC472486 |
0.6 | Remote Similarity | NPC65133 |
0.6 | Remote Similarity | NPC472238 |
0.5982 | Remote Similarity | NPC263802 |
0.5981 | Remote Similarity | NPC474754 |
0.5969 | Remote Similarity | NPC476956 |
0.5968 | Remote Similarity | NPC474725 |
0.5963 | Remote Similarity | NPC13494 |
0.5962 | Remote Similarity | NPC55508 |
0.5946 | Remote Similarity | NPC477445 |
0.5946 | Remote Similarity | NPC477205 |
0.5946 | Remote Similarity | NPC62572 |
0.5935 | Remote Similarity | NPC475800 |
0.5932 | Remote Similarity | NPC190080 |
0.5932 | Remote Similarity | NPC111187 |
0.5929 | Remote Similarity | NPC3032 |
0.5929 | Remote Similarity | NPC473319 |
0.5929 | Remote Similarity | NPC131104 |
0.5929 | Remote Similarity | NPC476435 |
0.5926 | Remote Similarity | NPC476957 |
0.5922 | Remote Similarity | NPC89310 |
0.592 | Remote Similarity | NPC328052 |
0.5917 | Remote Similarity | NPC178853 |
0.5913 | Remote Similarity | NPC216137 |
0.5913 | Remote Similarity | NPC475878 |
0.5909 | Remote Similarity | NPC327451 |
0.5909 | Remote Similarity | NPC292458 |
0.5909 | Remote Similarity | NPC217559 |
0.5909 | Remote Similarity | NPC268578 |
0.5905 | Remote Similarity | NPC21220 |
0.5905 | Remote Similarity | NPC159789 |
0.5905 | Remote Similarity | NPC125767 |
0.5902 | Remote Similarity | NPC88469 |
0.5897 | Remote Similarity | NPC287354 |
0.5897 | Remote Similarity | NPC62407 |
0.5893 | Remote Similarity | NPC83242 |
0.5893 | Remote Similarity | NPC248216 |
0.5873 | Remote Similarity | NPC12270 |
0.5872 | Remote Similarity | NPC48756 |
0.5872 | Remote Similarity | NPC475743 |
0.5872 | Remote Similarity | NPC280781 |
0.5862 | Remote Similarity | NPC161035 |
0.5856 | Remote Similarity | NPC473299 |
0.5856 | Remote Similarity | NPC319909 |
0.5856 | Remote Similarity | NPC473336 |
0.5856 | Remote Similarity | NPC474996 |
0.5856 | Remote Similarity | NPC471044 |
0.5849 | Remote Similarity | NPC471046 |
0.5849 | Remote Similarity | NPC474020 |
0.5847 | Remote Similarity | NPC477264 |
0.5847 | Remote Similarity | NPC116683 |
0.5847 | Remote Similarity | NPC476728 |
0.5833 | Remote Similarity | NPC267921 |
0.5833 | Remote Similarity | NPC320144 |
0.5826 | Remote Similarity | NPC88337 |
0.5826 | Remote Similarity | NPC475211 |
0.5826 | Remote Similarity | NPC185529 |
0.5826 | Remote Similarity | NPC472146 |
0.5818 | Remote Similarity | NPC289486 |
0.5818 | Remote Similarity | NPC61107 |
0.5818 | Remote Similarity | NPC317066 |
0.581 | Remote Similarity | NPC133922 |
0.5794 | Remote Similarity | NPC471151 |
0.5794 | Remote Similarity | NPC475031 |
0.5794 | Remote Similarity | NPC23884 |
0.5794 | Remote Similarity | NPC143250 |
0.5794 | Remote Similarity | NPC221420 |
0.5789 | Remote Similarity | NPC221993 |
0.5789 | Remote Similarity | NPC236459 |
0.578 | Remote Similarity | NPC1882 |
0.5776 | Remote Similarity | NPC250753 |
0.5772 | Remote Similarity | NPC13149 |
0.5766 | Remote Similarity | NPC227170 |
0.5766 | Remote Similarity | NPC269684 |
0.5763 | Remote Similarity | NPC305808 |
0.576 | Remote Similarity | NPC128210 |
0.5755 | Remote Similarity | NPC68565 |
0.5755 | Remote Similarity | NPC35871 |
0.5752 | Remote Similarity | NPC476727 |
0.5752 | Remote Similarity | NPC476726 |
0.5752 | Remote Similarity | NPC476730 |
0.575 | Remote Similarity | NPC471038 |
0.575 | Remote Similarity | NPC472144 |
0.575 | Remote Similarity | NPC253995 |
0.575 | Remote Similarity | NPC109059 |
0.575 | Remote Similarity | NPC288 |
0.575 | Remote Similarity | NPC476294 |
0.5743 | Remote Similarity | NPC84562 |
0.5741 | Remote Similarity | NPC185465 |
0.5739 | Remote Similarity | NPC253618 |
0.5739 | Remote Similarity | NPC77001 |
0.5738 | Remote Similarity | NPC471254 |
0.5728 | Remote Similarity | NPC131892 |
0.5728 | Remote Similarity | NPC213178 |
0.5728 | Remote Similarity | NPC327728 |
0.5728 | Remote Similarity | NPC6120 |
0.5727 | Remote Similarity | NPC474870 |
0.5727 | Remote Similarity | NPC254123 |
0.5727 | Remote Similarity | NPC271572 |
0.5726 | Remote Similarity | NPC474379 |
0.5726 | Remote Similarity | NPC472147 |
0.5726 | Remote Similarity | NPC59170 |
0.5726 | Remote Similarity | NPC147272 |
0.5726 | Remote Similarity | NPC472231 |
0.5726 | Remote Similarity | NPC472148 |
0.5726 | Remote Similarity | NPC472232 |
0.5725 | Remote Similarity | NPC470276 |
0.5714 | Remote Similarity | NPC13949 |
0.5714 | Remote Similarity | NPC175419 |
0.5714 | Remote Similarity | NPC181871 |
0.5714 | Remote Similarity | NPC235109 |
0.5714 | Remote Similarity | NPC9060 |
0.5714 | Remote Similarity | NPC163685 |
0.5714 | Remote Similarity | NPC165616 |
0.5714 | Remote Similarity | NPC232112 |
0.5714 | Remote Similarity | NPC475785 |
0.5714 | Remote Similarity | NPC475765 |
0.5714 | Remote Similarity | NPC79308 |
0.5702 | Remote Similarity | NPC80417 |
0.5702 | Remote Similarity | NPC470920 |
0.5702 | Remote Similarity | NPC46761 |
0.5702 | Remote Similarity | NPC239938 |
0.5701 | Remote Similarity | NPC475742 |
0.5701 | Remote Similarity | NPC5767 |
0.5701 | Remote Similarity | NPC108840 |
0.5693 | Remote Similarity | NPC477352 |
0.5691 | Remote Similarity | NPC471253 |
0.569 | Remote Similarity | NPC180849 |
0.569 | Remote Similarity | NPC470114 |
0.569 | Remote Similarity | NPC80401 |
0.569 | Remote Similarity | NPC312637 |
0.569 | Remote Similarity | NPC476296 |
0.5688 | Remote Similarity | NPC73013 |
0.5688 | Remote Similarity | NPC245029 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC42590 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 |
---|---|---|---|
0.6016 | Remote Similarity | NPD6415 | Discontinued |
0.5966 | Remote Similarity | NPD8418 | Phase 2 |
0.5905 | Remote Similarity | NPD3703 | Phase 2 |
0.5887 | Remote Similarity | NPD6334 | Approved |
0.5887 | Remote Similarity | NPD6333 | Approved |
0.5873 | Remote Similarity | NPD5215 | Approved |
0.5873 | Remote Similarity | NPD1719 | Phase 1 |
0.5802 | Remote Similarity | NPD7100 | Approved |
0.5736 | Remote Similarity | NPD5167 | Approved |
0.5728 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.5693 | Remote Similarity | NPD6033 | Approved |
0.5669 | Remote Similarity | NPD5169 | Approved |
0.5659 | Remote Similarity | NPD8298 | Phase 2 |
0.5648 | Remote Similarity | NPD6116 | Phase 1 |
0.5625 | Remote Similarity | NPD5127 | Approved |
0.5625 | Remote Similarity | NPD5216 | Approved |
0.5625 | Remote Similarity | NPD5217 | Approved |
0.5619 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5619 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD6314 | Approved |
0.5606 | Remote Similarity | NPD6313 | Approved |
0.5606 | Remote Similarity | NPD6335 | Approved |
PubChem CID   | 11783867 |
ChEMBL   | CHEMBL464430 |
ZINC   |
Molecular Weight:   | 381.17 |
ALogP:   | 0.8416 |
MLogP:   | 3 |
XLogP:   | 2.989 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 75.96 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 26 |