Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | ED50 | > | 50 | ug/ml | 9599257 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 50 | ug/ml | 9599257 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 50 | ug/ml | 9599257 |
NPT139 | Cell Line | HT-29 | Homo sapiens | ED50 | > | 50 | ug/ml | 9599257 |
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 NPC476714 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 |
---|---|---|
0.8929 | High Similarity | NPC89018 |
0.885 | High Similarity | NPC226608 |
0.885 | High Similarity | NPC88867 |
0.8772 | High Similarity | NPC470466 |
0.8661 | High Similarity | NPC11491 |
0.8661 | High Similarity | NPC156248 |
0.8661 | High Similarity | NPC140409 |
0.8584 | High Similarity | NPC470467 |
0.8584 | High Similarity | NPC170294 |
0.8509 | High Similarity | NPC470468 |
0.8482 | Intermediate Similarity | NPC128210 |
0.8407 | Intermediate Similarity | NPC475191 |
0.8333 | Intermediate Similarity | NPC188222 |
0.8333 | Intermediate Similarity | NPC310035 |
0.8333 | Intermediate Similarity | NPC282003 |
0.8291 | Intermediate Similarity | NPC329869 |
0.8264 | Intermediate Similarity | NPC303006 |
0.8095 | Intermediate Similarity | NPC470185 |
0.8067 | Intermediate Similarity | NPC476712 |
0.8067 | Intermediate Similarity | NPC476713 |
0.8017 | Intermediate Similarity | NPC475003 |
0.7983 | Intermediate Similarity | NPC476711 |
0.7983 | Intermediate Similarity | NPC476710 |
0.7946 | Intermediate Similarity | NPC98225 |
0.7797 | Intermediate Similarity | NPC157476 |
0.7769 | Intermediate Similarity | NPC296822 |
0.7769 | Intermediate Similarity | NPC58662 |
0.7739 | Intermediate Similarity | NPC283850 |
0.7698 | Intermediate Similarity | NPC470973 |
0.7692 | Intermediate Similarity | NPC94377 |
0.7692 | Intermediate Similarity | NPC37628 |
0.7686 | Intermediate Similarity | NPC474333 |
0.7667 | Intermediate Similarity | NPC477126 |
0.7652 | Intermediate Similarity | NPC61442 |
0.7652 | Intermediate Similarity | NPC99510 |
0.7642 | Intermediate Similarity | NPC470186 |
0.7607 | Intermediate Similarity | NPC78966 |
0.7607 | Intermediate Similarity | NPC284732 |
0.7603 | Intermediate Similarity | NPC73314 |
0.7583 | Intermediate Similarity | NPC473877 |
0.7522 | Intermediate Similarity | NPC474395 |
0.75 | Intermediate Similarity | NPC194619 |
0.75 | Intermediate Similarity | NPC72842 |
0.748 | Intermediate Similarity | NPC98249 |
0.748 | Intermediate Similarity | NPC469684 |
0.748 | Intermediate Similarity | NPC53396 |
0.7479 | Intermediate Similarity | NPC42662 |
0.7478 | Intermediate Similarity | NPC475958 |
0.7478 | Intermediate Similarity | NPC308824 |
0.7456 | Intermediate Similarity | NPC152480 |
0.7419 | Intermediate Similarity | NPC284707 |
0.7417 | Intermediate Similarity | NPC474586 |
0.7417 | Intermediate Similarity | NPC473975 |
0.7417 | Intermediate Similarity | NPC473843 |
0.7417 | Intermediate Similarity | NPC473594 |
0.7391 | Intermediate Similarity | NPC477656 |
0.7368 | Intermediate Similarity | NPC474921 |
0.7355 | Intermediate Similarity | NPC474846 |
0.7355 | Intermediate Similarity | NPC469655 |
0.7355 | Intermediate Similarity | NPC469656 |
0.735 | Intermediate Similarity | NPC156681 |
0.7339 | Intermediate Similarity | NPC478204 |
0.7333 | Intermediate Similarity | NPC154906 |
0.7311 | Intermediate Similarity | NPC475587 |
0.7311 | Intermediate Similarity | NPC475510 |
0.7311 | Intermediate Similarity | NPC112780 |
0.7302 | Intermediate Similarity | NPC317635 |
0.7302 | Intermediate Similarity | NPC329008 |
0.7287 | Intermediate Similarity | NPC181999 |
0.7281 | Intermediate Similarity | NPC473964 |
0.7281 | Intermediate Similarity | NPC256227 |
0.728 | Intermediate Similarity | NPC108581 |
0.728 | Intermediate Similarity | NPC478205 |
0.728 | Intermediate Similarity | NPC478206 |
0.7265 | Intermediate Similarity | NPC183571 |
0.7265 | Intermediate Similarity | NPC164551 |
0.7258 | Intermediate Similarity | NPC477509 |
0.7258 | Intermediate Similarity | NPC270478 |
0.7257 | Intermediate Similarity | NPC66581 |
0.725 | Intermediate Similarity | NPC473595 |
0.725 | Intermediate Similarity | NPC469916 |
0.725 | Intermediate Similarity | NPC472439 |
0.725 | Intermediate Similarity | NPC473939 |
0.725 | Intermediate Similarity | NPC273155 |
0.7241 | Intermediate Similarity | NPC477655 |
0.7232 | Intermediate Similarity | NPC122057 |
0.7231 | Intermediate Similarity | NPC478207 |
0.7217 | Intermediate Similarity | NPC473963 |
0.7217 | Intermediate Similarity | NPC136781 |
0.7213 | Intermediate Similarity | NPC94650 |
0.7209 | Intermediate Similarity | NPC469790 |
0.7203 | Intermediate Similarity | NPC69171 |
0.7203 | Intermediate Similarity | NPC474165 |
0.72 | Intermediate Similarity | NPC470775 |
0.72 | Intermediate Similarity | NPC13713 |
0.72 | Intermediate Similarity | NPC473590 |
0.72 | Intermediate Similarity | NPC176513 |
0.7193 | Intermediate Similarity | NPC56369 |
0.7193 | Intermediate Similarity | NPC157686 |
0.7193 | Intermediate Similarity | NPC259042 |
0.719 | Intermediate Similarity | NPC474243 |
0.719 | Intermediate Similarity | NPC475922 |
0.719 | Intermediate Similarity | NPC469370 |
0.7179 | Intermediate Similarity | NPC242666 |
0.7179 | Intermediate Similarity | NPC111292 |
0.7177 | Intermediate Similarity | NPC117712 |
0.7167 | Intermediate Similarity | NPC180744 |
0.7167 | Intermediate Similarity | NPC166993 |
0.7165 | Intermediate Similarity | NPC143755 |
0.7165 | Intermediate Similarity | NPC251226 |
0.7155 | Intermediate Similarity | NPC476806 |
0.7155 | Intermediate Similarity | NPC476807 |
0.7154 | Intermediate Similarity | NPC42658 |
0.7154 | Intermediate Similarity | NPC269530 |
0.7154 | Intermediate Similarity | NPC473635 |
0.7143 | Intermediate Similarity | NPC470776 |
0.7143 | Intermediate Similarity | NPC240509 |
0.7132 | Intermediate Similarity | NPC67251 |
0.7131 | Intermediate Similarity | NPC281624 |
0.7131 | Intermediate Similarity | NPC161816 |
0.7131 | Intermediate Similarity | NPC253906 |
0.7131 | Intermediate Similarity | NPC115257 |
0.713 | Intermediate Similarity | NPC284518 |
0.713 | Intermediate Similarity | NPC93245 |
0.712 | Intermediate Similarity | NPC255450 |
0.712 | Intermediate Similarity | NPC170692 |
0.7119 | Intermediate Similarity | NPC474709 |
0.7109 | Intermediate Similarity | NPC477046 |
0.7109 | Intermediate Similarity | NPC4021 |
0.7109 | Intermediate Similarity | NPC159456 |
0.7109 | Intermediate Similarity | NPC102822 |
0.7107 | Intermediate Similarity | NPC289702 |
0.7107 | Intermediate Similarity | NPC151393 |
0.7107 | Intermediate Similarity | NPC208461 |
0.7105 | Intermediate Similarity | NPC148000 |
0.7105 | Intermediate Similarity | NPC225474 |
0.7105 | Intermediate Similarity | NPC469596 |
0.7097 | Intermediate Similarity | NPC478212 |
0.7097 | Intermediate Similarity | NPC94509 |
0.7087 | Intermediate Similarity | NPC472667 |
0.7083 | Intermediate Similarity | NPC470975 |
0.7083 | Intermediate Similarity | NPC103088 |
0.7083 | Intermediate Similarity | NPC470979 |
0.7083 | Intermediate Similarity | NPC200957 |
0.7083 | Intermediate Similarity | NPC295366 |
0.7083 | Intermediate Similarity | NPC138908 |
0.708 | Intermediate Similarity | NPC475881 |
0.708 | Intermediate Similarity | NPC70251 |
0.7077 | Intermediate Similarity | NPC24651 |
0.7069 | Intermediate Similarity | NPC236176 |
0.7069 | Intermediate Similarity | NPC134454 |
0.7069 | Intermediate Similarity | NPC17326 |
0.7069 | Intermediate Similarity | NPC111348 |
0.7063 | Intermediate Similarity | NPC470854 |
0.7063 | Intermediate Similarity | NPC474654 |
0.7063 | Intermediate Similarity | NPC122033 |
0.7063 | Intermediate Similarity | NPC97908 |
0.7063 | Intermediate Similarity | NPC287343 |
0.7054 | Intermediate Similarity | NPC77001 |
0.7054 | Intermediate Similarity | NPC253618 |
0.7054 | Intermediate Similarity | NPC170538 |
0.7054 | Intermediate Similarity | NPC312833 |
0.7049 | Intermediate Similarity | NPC273433 |
0.7049 | Intermediate Similarity | NPC204652 |
0.7049 | Intermediate Similarity | NPC299590 |
0.7049 | Intermediate Similarity | NPC16657 |
0.7043 | Intermediate Similarity | NPC90014 |
0.704 | Intermediate Similarity | NPC299849 |
0.7031 | Intermediate Similarity | NPC268530 |
0.7031 | Intermediate Similarity | NPC142882 |
0.7031 | Intermediate Similarity | NPC154491 |
0.7025 | Intermediate Similarity | NPC143609 |
0.7025 | Intermediate Similarity | NPC216636 |
0.7025 | Intermediate Similarity | NPC469558 |
0.7023 | Intermediate Similarity | NPC293112 |
0.7023 | Intermediate Similarity | NPC225049 |
0.7018 | Intermediate Similarity | NPC147272 |
0.7016 | Intermediate Similarity | NPC189338 |
0.7016 | Intermediate Similarity | NPC95290 |
0.7008 | Intermediate Similarity | NPC17772 |
0.7 | Intermediate Similarity | NPC18945 |
0.7 | Intermediate Similarity | NPC105926 |
0.7 | Intermediate Similarity | NPC258532 |
0.7 | Intermediate Similarity | NPC301787 |
0.7 | Intermediate Similarity | NPC11895 |
0.7 | Intermediate Similarity | NPC472399 |
0.7 | Intermediate Similarity | NPC477127 |
0.7 | Intermediate Similarity | NPC265557 |
0.7 | Intermediate Similarity | NPC146731 |
0.7 | Intermediate Similarity | NPC473802 |
0.7 | Intermediate Similarity | NPC91693 |
0.6992 | Remote Similarity | NPC85391 |
0.6992 | Remote Similarity | NPC472215 |
0.6992 | Remote Similarity | NPC100908 |
0.6992 | Remote Similarity | NPC472214 |
0.6992 | Remote Similarity | NPC124053 |
0.6991 | Remote Similarity | NPC471378 |
0.6991 | Remote Similarity | NPC312471 |
0.6991 | Remote Similarity | NPC475776 |
0.6991 | Remote Similarity | NPC153853 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC476714 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 |
---|---|---|---|
0.7131 | Intermediate Similarity | NPD5955 | Clinical (unspecified phase) |
0.7107 | Intermediate Similarity | NPD5345 | Clinical (unspecified phase) |
0.7049 | Intermediate Similarity | NPD4061 | Clinical (unspecified phase) |
0.6885 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.6612 | Remote Similarity | NPD5344 | Discontinued |
0.6591 | Remote Similarity | NPD6921 | Approved |
0.6583 | Remote Similarity | NPD4225 | Approved |
0.6475 | Remote Similarity | NPD1700 | Approved |
0.6423 | Remote Similarity | NPD3653 | Clinical (unspecified phase) |
0.6412 | Remote Similarity | NPD7115 | Discovery |
0.6393 | Remote Similarity | NPD6648 | Approved |
0.6377 | Remote Similarity | NPD7319 | Approved |
0.6343 | Remote Similarity | NPD5983 | Phase 2 |
0.6308 | Remote Similarity | NPD4632 | Approved |
0.6308 | Remote Similarity | NPD8133 | Approved |
0.6304 | Remote Similarity | NPD6033 | Approved |
0.6271 | Remote Similarity | NPD6698 | Approved |
0.6271 | Remote Similarity | NPD46 | Approved |
0.627 | Remote Similarity | NPD6008 | Approved |
0.6269 | Remote Similarity | NPD6319 | Approved |
0.6222 | Remote Similarity | NPD8515 | Approved |
0.6222 | Remote Similarity | NPD8516 | Approved |
0.6222 | Remote Similarity | NPD8513 | Phase 3 |
0.6222 | Remote Similarity | NPD8517 | Approved |
0.622 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6202 | Remote Similarity | NPD6371 | Approved |
0.6172 | Remote Similarity | NPD6686 | Approved |
0.6165 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6159 | Remote Similarity | NPD7507 | Approved |
0.6159 | Remote Similarity | NPD6336 | Discontinued |
0.6121 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6083 | Remote Similarity | NPD7983 | Approved |
0.6074 | Remote Similarity | NPD7100 | Approved |
0.6066 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6045 | Remote Similarity | NPD6009 | Approved |
0.6014 | Remote Similarity | NPD8328 | Phase 3 |
0.6 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6314 | Approved |
0.6 | Remote Similarity | NPD6335 | Approved |
0.6 | Remote Similarity | NPD6313 | Approved |
0.6 | Remote Similarity | NPD8074 | Phase 3 |
0.5971 | Remote Similarity | NPD7492 | Approved |
0.5956 | Remote Similarity | NPD7101 | Approved |
0.595 | Remote Similarity | NPD8034 | Phase 2 |
0.595 | Remote Similarity | NPD8035 | Phase 2 |
0.5929 | Remote Similarity | NPD6616 | Approved |
0.592 | Remote Similarity | NPD7638 | Approved |
0.5912 | Remote Similarity | NPD6059 | Approved |
0.5912 | Remote Similarity | NPD6054 | Approved |
0.5902 | Remote Similarity | NPD5778 | Approved |
0.5902 | Remote Similarity | NPD5779 | Approved |
0.5887 | Remote Similarity | NPD7078 | Approved |
0.5887 | Remote Similarity | NPD8293 | Discontinued |
0.5878 | Remote Similarity | NPD6372 | Approved |
0.5878 | Remote Similarity | NPD6373 | Approved |
0.5873 | Remote Similarity | NPD7639 | Approved |
0.5873 | Remote Similarity | NPD7640 | Approved |
0.587 | Remote Similarity | NPD6016 | Approved |
0.587 | Remote Similarity | NPD6015 | Approved |
0.5868 | Remote Similarity | NPD3168 | Discontinued |
0.5865 | Remote Similarity | NPD8297 | Approved |
0.5854 | Remote Similarity | NPD5282 | Discontinued |
0.5845 | Remote Similarity | NPD7736 | Approved |
0.5839 | Remote Similarity | NPD7516 | Approved |
0.5827 | Remote Similarity | NPD5988 | Approved |
0.5827 | Remote Similarity | NPD6370 | Approved |
0.582 | Remote Similarity | NPD6411 | Approved |
0.5789 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD6649 | Approved |
0.5789 | Remote Similarity | NPD5215 | Approved |
0.5789 | Remote Similarity | NPD6650 | Approved |
0.5785 | Remote Similarity | NPD1695 | Approved |
0.5772 | Remote Similarity | NPD6399 | Phase 3 |
0.5769 | Remote Similarity | NPD5739 | Approved |
0.5769 | Remote Similarity | NPD7128 | Approved |
0.5769 | Remote Similarity | NPD6402 | Approved |
0.5769 | Remote Similarity | NPD6675 | Approved |
0.5766 | Remote Similarity | NPD7328 | Approved |
0.5766 | Remote Similarity | NPD7327 | Approved |
0.5764 | Remote Similarity | NPD5956 | Approved |
0.5738 | Remote Similarity | NPD7838 | Discovery |
0.5735 | Remote Similarity | NPD6868 | Approved |
0.5725 | Remote Similarity | NPD5697 | Approved |
0.5725 | Remote Similarity | NPD5701 | Approved |
0.5714 | Remote Similarity | NPD4634 | Approved |
0.5714 | Remote Similarity | NPD5169 | Approved |
0.5682 | Remote Similarity | NPD6881 | Approved |
0.5682 | Remote Similarity | NPD7320 | Approved |
0.5682 | Remote Similarity | NPD6899 | Approved |
0.5674 | Remote Similarity | NPD7604 | Phase 2 |
0.5672 | Remote Similarity | NPD5216 | Approved |
0.5672 | Remote Similarity | NPD5127 | Approved |
0.5672 | Remote Similarity | NPD5217 | Approved |
0.5662 | Remote Similarity | NPD5167 | Approved |
0.5656 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5656 | Remote Similarity | NPD6101 | Approved |
0.5643 | Remote Similarity | NPD8379 | Approved |
0.5643 | Remote Similarity | NPD8335 | Approved |
0.5643 | Remote Similarity | NPD8378 | Approved |
0.5643 | Remote Similarity | NPD8033 | Approved |
0.5643 | Remote Similarity | NPD8380 | Approved |
0.5643 | Remote Similarity | NPD8296 | Approved |
0.5639 | Remote Similarity | NPD6014 | Approved |
0.5639 | Remote Similarity | NPD6013 | Approved |
0.5639 | Remote Similarity | NPD6012 | Approved |
0.563 | Remote Similarity | NPD6882 | Approved |
0.563 | Remote Similarity | NPD6053 | Discontinued |
0.5612 | Remote Similarity | NPD4522 | Approved |
PubChem CID   | 44575516 |
ChEMBL   | CHEMBL508670 |
ZINC   |
Molecular Weight:   | 512.14 |
ALogP:   | -0.8641 |
MLogP:   | 2.89 |
XLogP:   | -0.164 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 144.42 |
# H-Bond Aceptor:   | 10 |
# H-Bond Donor:   | 2 |
# Rings:   | 6 |
# Heavy Atoms:   | 35 |