Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 5 | ug/ml | 9051914 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 4.8 | ug/ml | 12502331 |
NPT2 | Others | Unspecified | IC50 | = | 6.1 | ug/ml | 17067176 | |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 5 | ug/ml | 15217287 |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | > | 5 | ug/ml | 11374948 |
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 NPC471483 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 |
---|---|---|
0.8526 | High Similarity | NPC2666 |
0.8511 | High Similarity | NPC471492 |
0.8421 | Intermediate Similarity | NPC473333 |
0.8333 | Intermediate Similarity | NPC471490 |
0.8144 | Intermediate Similarity | NPC218064 |
0.8085 | Intermediate Similarity | NPC118078 |
0.8021 | Intermediate Similarity | NPC256368 |
0.8 | Intermediate Similarity | NPC158061 |
0.7941 | Intermediate Similarity | NPC239961 |
0.7917 | Intermediate Similarity | NPC472195 |
0.7917 | Intermediate Similarity | NPC472196 |
0.7917 | Intermediate Similarity | NPC238090 |
0.7895 | Intermediate Similarity | NPC471184 |
0.7857 | Intermediate Similarity | NPC98165 |
0.7849 | Intermediate Similarity | NPC311163 |
0.7835 | Intermediate Similarity | NPC471496 |
0.7835 | Intermediate Similarity | NPC159698 |
0.7822 | Intermediate Similarity | NPC313569 |
0.7812 | Intermediate Similarity | NPC470520 |
0.7778 | Intermediate Similarity | NPC199099 |
0.7778 | Intermediate Similarity | NPC266842 |
0.7766 | Intermediate Similarity | NPC475037 |
0.7755 | Intermediate Similarity | NPC473334 |
0.7742 | Intermediate Similarity | NPC471494 |
0.7723 | Intermediate Similarity | NPC198992 |
0.7708 | Intermediate Similarity | NPC3436 |
0.7708 | Intermediate Similarity | NPC177668 |
0.77 | Intermediate Similarity | NPC187268 |
0.77 | Intermediate Similarity | NPC203627 |
0.767 | Intermediate Similarity | NPC474917 |
0.767 | Intermediate Similarity | NPC161775 |
0.766 | Intermediate Similarity | NPC204048 |
0.7653 | Intermediate Similarity | NPC470521 |
0.7653 | Intermediate Similarity | NPC472198 |
0.7647 | Intermediate Similarity | NPC121423 |
0.7629 | Intermediate Similarity | NPC175842 |
0.7629 | Intermediate Similarity | NPC32494 |
0.7629 | Intermediate Similarity | NPC9447 |
0.7629 | Intermediate Similarity | NPC472199 |
0.7619 | Intermediate Similarity | NPC475960 |
0.7604 | Intermediate Similarity | NPC225283 |
0.7604 | Intermediate Similarity | NPC133450 |
0.76 | Intermediate Similarity | NPC471462 |
0.7596 | Intermediate Similarity | NPC85670 |
0.7576 | Intermediate Similarity | NPC220221 |
0.7553 | Intermediate Similarity | NPC475034 |
0.7553 | Intermediate Similarity | NPC470124 |
0.7551 | Intermediate Similarity | NPC156553 |
0.7551 | Intermediate Similarity | NPC320089 |
0.7551 | Intermediate Similarity | NPC473561 |
0.7551 | Intermediate Similarity | NPC59646 |
0.7551 | Intermediate Similarity | NPC473723 |
0.7551 | Intermediate Similarity | NPC473663 |
0.7551 | Intermediate Similarity | NPC475173 |
0.7547 | Intermediate Similarity | NPC257853 |
0.7526 | Intermediate Similarity | NPC471569 |
0.7526 | Intermediate Similarity | NPC202886 |
0.7525 | Intermediate Similarity | NPC472015 |
0.75 | Intermediate Similarity | NPC100487 |
0.75 | Intermediate Similarity | NPC306041 |
0.75 | Intermediate Similarity | NPC472748 |
0.75 | Intermediate Similarity | NPC143446 |
0.7451 | Intermediate Similarity | NPC130792 |
0.7449 | Intermediate Similarity | NPC477749 |
0.7447 | Intermediate Similarity | NPC16887 |
0.7447 | Intermediate Similarity | NPC53011 |
0.7447 | Intermediate Similarity | NPC37005 |
0.7447 | Intermediate Similarity | NPC154893 |
0.7447 | Intermediate Similarity | NPC475035 |
0.7431 | Intermediate Similarity | NPC264153 |
0.7429 | Intermediate Similarity | NPC472749 |
0.7429 | Intermediate Similarity | NPC82251 |
0.7429 | Intermediate Similarity | NPC472751 |
0.7426 | Intermediate Similarity | NPC40812 |
0.7426 | Intermediate Similarity | NPC236580 |
0.7426 | Intermediate Similarity | NPC304445 |
0.7423 | Intermediate Similarity | NPC242877 |
0.7423 | Intermediate Similarity | NPC64913 |
0.7423 | Intermediate Similarity | NPC477748 |
0.7404 | Intermediate Similarity | NPC475945 |
0.7404 | Intermediate Similarity | NPC472750 |
0.7404 | Intermediate Similarity | NPC472747 |
0.7404 | Intermediate Similarity | NPC309398 |
0.7404 | Intermediate Similarity | NPC473070 |
0.7404 | Intermediate Similarity | NPC475871 |
0.74 | Intermediate Similarity | NPC36954 |
0.74 | Intermediate Similarity | NPC471141 |
0.7383 | Intermediate Similarity | NPC315836 |
0.7383 | Intermediate Similarity | NPC313668 |
0.7383 | Intermediate Similarity | NPC206618 |
0.7374 | Intermediate Similarity | NPC475912 |
0.7374 | Intermediate Similarity | NPC476300 |
0.7374 | Intermediate Similarity | NPC81419 |
0.7374 | Intermediate Similarity | NPC179746 |
0.7374 | Intermediate Similarity | NPC473520 |
0.7358 | Intermediate Similarity | NPC26617 |
0.7358 | Intermediate Similarity | NPC254538 |
0.7358 | Intermediate Similarity | NPC474285 |
0.7353 | Intermediate Similarity | NPC249171 |
0.7353 | Intermediate Similarity | NPC471144 |
0.7353 | Intermediate Similarity | NPC222303 |
0.7353 | Intermediate Similarity | NPC473326 |
0.7353 | Intermediate Similarity | NPC49833 |
0.7347 | Intermediate Similarity | NPC473904 |
0.7347 | Intermediate Similarity | NPC206614 |
0.7347 | Intermediate Similarity | NPC474323 |
0.734 | Intermediate Similarity | NPC27314 |
0.734 | Intermediate Similarity | NPC31019 |
0.734 | Intermediate Similarity | NPC263087 |
0.734 | Intermediate Similarity | NPC106912 |
0.734 | Intermediate Similarity | NPC2379 |
0.7333 | Intermediate Similarity | NPC203659 |
0.7333 | Intermediate Similarity | NPC473068 |
0.7327 | Intermediate Similarity | NPC54731 |
0.7327 | Intermediate Similarity | NPC288350 |
0.7327 | Intermediate Similarity | NPC279621 |
0.7327 | Intermediate Similarity | NPC230800 |
0.7327 | Intermediate Similarity | NPC173329 |
0.7327 | Intermediate Similarity | NPC472995 |
0.7321 | Intermediate Similarity | NPC475309 |
0.732 | Intermediate Similarity | NPC233551 |
0.732 | Intermediate Similarity | NPC40376 |
0.732 | Intermediate Similarity | NPC48338 |
0.732 | Intermediate Similarity | NPC20339 |
0.732 | Intermediate Similarity | NPC21208 |
0.732 | Intermediate Similarity | NPC280621 |
0.7315 | Intermediate Similarity | NPC235014 |
0.7308 | Intermediate Similarity | NPC201191 |
0.7308 | Intermediate Similarity | NPC86077 |
0.7308 | Intermediate Similarity | NPC472754 |
0.7308 | Intermediate Similarity | NPC149371 |
0.7308 | Intermediate Similarity | NPC474747 |
0.7304 | Intermediate Similarity | NPC186339 |
0.73 | Intermediate Similarity | NPC71589 |
0.73 | Intermediate Similarity | NPC474338 |
0.7297 | Intermediate Similarity | NPC277583 |
0.729 | Intermediate Similarity | NPC219900 |
0.729 | Intermediate Similarity | NPC392 |
0.729 | Intermediate Similarity | NPC177524 |
0.729 | Intermediate Similarity | NPC38948 |
0.7282 | Intermediate Similarity | NPC288876 |
0.7282 | Intermediate Similarity | NPC473146 |
0.7273 | Intermediate Similarity | NPC208886 |
0.7273 | Intermediate Similarity | NPC287075 |
0.7273 | Intermediate Similarity | NPC30515 |
0.7273 | Intermediate Similarity | NPC12172 |
0.7273 | Intermediate Similarity | NPC184463 |
0.7273 | Intermediate Similarity | NPC472197 |
0.7264 | Intermediate Similarity | NPC476738 |
0.7264 | Intermediate Similarity | NPC476740 |
0.7263 | Intermediate Similarity | NPC266718 |
0.7263 | Intermediate Similarity | NPC290052 |
0.7255 | Intermediate Similarity | NPC472998 |
0.7245 | Intermediate Similarity | NPC130359 |
0.7245 | Intermediate Similarity | NPC139418 |
0.7245 | Intermediate Similarity | NPC14901 |
0.7238 | Intermediate Similarity | NPC474581 |
0.7238 | Intermediate Similarity | NPC159533 |
0.7238 | Intermediate Similarity | NPC473148 |
0.7238 | Intermediate Similarity | NPC110989 |
0.7238 | Intermediate Similarity | NPC69171 |
0.7238 | Intermediate Similarity | NPC474165 |
0.7238 | Intermediate Similarity | NPC473816 |
0.7238 | Intermediate Similarity | NPC472755 |
0.7238 | Intermediate Similarity | NPC475367 |
0.7238 | Intermediate Similarity | NPC4620 |
0.7234 | Intermediate Similarity | NPC310450 |
0.7234 | Intermediate Similarity | NPC11383 |
0.7234 | Intermediate Similarity | NPC474959 |
0.7234 | Intermediate Similarity | NPC475046 |
0.7228 | Intermediate Similarity | NPC469873 |
0.7228 | Intermediate Similarity | NPC304886 |
0.7228 | Intermediate Similarity | NPC270013 |
0.7228 | Intermediate Similarity | NPC471142 |
0.7228 | Intermediate Similarity | NPC227494 |
0.7228 | Intermediate Similarity | NPC14961 |
0.7222 | Intermediate Similarity | NPC38154 |
0.7216 | Intermediate Similarity | NPC178215 |
0.7212 | Intermediate Similarity | NPC4637 |
0.7212 | Intermediate Similarity | NPC150923 |
0.7212 | Intermediate Similarity | NPC474339 |
0.7212 | Intermediate Similarity | NPC472753 |
0.7212 | Intermediate Similarity | NPC219038 |
0.7212 | Intermediate Similarity | NPC473332 |
0.7212 | Intermediate Similarity | NPC474742 |
0.7212 | Intermediate Similarity | NPC47880 |
0.7212 | Intermediate Similarity | NPC67296 |
0.7212 | Intermediate Similarity | NPC98859 |
0.7212 | Intermediate Similarity | NPC164598 |
0.7207 | Intermediate Similarity | NPC106446 |
0.72 | Intermediate Similarity | NPC212486 |
0.72 | Intermediate Similarity | NPC472641 |
0.72 | Intermediate Similarity | NPC110022 |
0.72 | Intermediate Similarity | NPC189651 |
0.72 | Intermediate Similarity | NPC475098 |
0.72 | Intermediate Similarity | NPC472640 |
0.7196 | Intermediate Similarity | NPC477513 |
0.7188 | Intermediate Similarity | NPC471567 |
0.7188 | Intermediate Similarity | NPC329615 |
0.7188 | Intermediate Similarity | NPC477014 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC471483 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 |
---|---|---|---|
0.7526 | Intermediate Similarity | NPD46 | Approved |
0.7526 | Intermediate Similarity | NPD6698 | Approved |
0.7358 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7353 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.7347 | Intermediate Similarity | NPD7838 | Discovery |
0.729 | Intermediate Similarity | NPD6686 | Approved |
0.7091 | Intermediate Similarity | NPD8413 | Clinical (unspecified phase) |
0.687 | Remote Similarity | NPD7328 | Approved |
0.687 | Remote Similarity | NPD7327 | Approved |
0.6857 | Remote Similarity | NPD4225 | Approved |
0.6847 | Remote Similarity | NPD6371 | Approved |
0.6838 | Remote Similarity | NPD8033 | Approved |
0.681 | Remote Similarity | NPD7516 | Approved |
0.6765 | Remote Similarity | NPD7983 | Approved |
0.6752 | Remote Similarity | NPD8377 | Approved |
0.6752 | Remote Similarity | NPD8294 | Approved |
0.6729 | Remote Similarity | NPD5344 | Discontinued |
0.6721 | Remote Similarity | NPD7319 | Approved |
0.6695 | Remote Similarity | NPD8515 | Approved |
0.6695 | Remote Similarity | NPD8516 | Approved |
0.6695 | Remote Similarity | NPD8517 | Approved |
0.6695 | Remote Similarity | NPD8380 | Approved |
0.6695 | Remote Similarity | NPD8296 | Approved |
0.6695 | Remote Similarity | NPD8379 | Approved |
0.6695 | Remote Similarity | NPD8335 | Approved |
0.6695 | Remote Similarity | NPD8378 | Approved |
0.6695 | Remote Similarity | NPD8513 | Phase 3 |
0.6612 | Remote Similarity | NPD7507 | Approved |
0.6607 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6571 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6566 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.65 | Remote Similarity | NPD8080 | Discontinued |
0.6496 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6476 | Remote Similarity | NPD5282 | Discontinued |
0.6446 | Remote Similarity | NPD7642 | Approved |
0.6435 | Remote Similarity | NPD6053 | Discontinued |
0.6423 | Remote Similarity | NPD8074 | Phase 3 |
0.6417 | Remote Similarity | NPD7503 | Approved |
0.6404 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6355 | Remote Similarity | NPD7839 | Suspended |
0.633 | Remote Similarity | NPD6648 | Approved |
0.6311 | Remote Similarity | NPD7829 | Approved |
0.6311 | Remote Similarity | NPD7830 | Approved |
0.6281 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD4249 | Approved |
0.625 | Remote Similarity | NPD1695 | Approved |
0.6231 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.6214 | Remote Similarity | NPD4251 | Approved |
0.6214 | Remote Similarity | NPD4250 | Approved |
0.621 | Remote Similarity | NPD8451 | Approved |
0.6176 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.616 | Remote Similarity | NPD8448 | Approved |
0.6148 | Remote Similarity | NPD8269 | Approved |
0.6148 | Remote Similarity | NPD8267 | Approved |
0.6148 | Remote Similarity | NPD8444 | Approved |
0.6148 | Remote Similarity | NPD8268 | Approved |
0.6148 | Remote Similarity | NPD8266 | Approved |
0.614 | Remote Similarity | NPD6412 | Phase 2 |
0.614 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.6102 | Remote Similarity | NPD8133 | Approved |
0.6091 | Remote Similarity | NPD7638 | Approved |
0.6083 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6083 | Remote Similarity | NPD7505 | Discontinued |
0.608 | Remote Similarity | NPD8273 | Phase 1 |
0.6075 | Remote Similarity | NPD5779 | Approved |
0.6075 | Remote Similarity | NPD5778 | Approved |
0.6044 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6036 | Remote Similarity | NPD7640 | Approved |
0.6036 | Remote Similarity | NPD7639 | Approved |
0.6034 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6019 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6016 | Remote Similarity | NPD8392 | Approved |
0.6016 | Remote Similarity | NPD8390 | Approved |
0.6016 | Remote Similarity | NPD8391 | Approved |
0.6 | Remote Similarity | NPD7492 | Approved |
0.6 | Remote Similarity | NPD8341 | Approved |
0.6 | Remote Similarity | NPD8342 | Approved |
0.6 | Remote Similarity | NPD8299 | Approved |
0.6 | Remote Similarity | NPD8340 | Approved |
0.5981 | Remote Similarity | NPD7637 | Suspended |
0.5952 | Remote Similarity | NPD6616 | Approved |
0.595 | Remote Similarity | NPD7115 | Discovery |
0.5935 | Remote Similarity | NPD6059 | Approved |
0.5935 | Remote Similarity | NPD6054 | Approved |
0.5929 | Remote Similarity | NPD7632 | Discontinued |
0.592 | Remote Similarity | NPD8328 | Phase 3 |
0.5906 | Remote Similarity | NPD8293 | Discontinued |
0.5906 | Remote Similarity | NPD7078 | Approved |
0.5902 | Remote Similarity | NPD7641 | Discontinued |
0.5895 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.5888 | Remote Similarity | NPD5785 | Approved |
0.5887 | Remote Similarity | NPD6015 | Approved |
0.5887 | Remote Similarity | NPD6016 | Approved |
0.5859 | Remote Similarity | NPD7736 | Approved |
0.5842 | Remote Similarity | NPD4820 | Approved |
0.5842 | Remote Similarity | NPD4819 | Approved |
0.5842 | Remote Similarity | NPD4821 | Approved |
0.5842 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5842 | Remote Similarity | NPD4822 | Approved |
0.584 | Remote Similarity | NPD6370 | Approved |
0.584 | Remote Similarity | NPD5988 | Approved |
0.5825 | Remote Similarity | NPD7154 | Phase 3 |
0.5825 | Remote Similarity | NPD3669 | Approved |
0.5825 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD6319 | Approved |
0.5798 | Remote Similarity | NPD2204 | Approved |
0.5794 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD6101 | Approved |
0.5776 | Remote Similarity | NPD4211 | Phase 1 |
0.5755 | Remote Similarity | NPD7524 | Approved |
0.573 | Remote Similarity | NPD69 | Approved |
0.573 | Remote Similarity | NPD9119 | Approved |
0.5728 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5363 | Approved |
0.5691 | Remote Similarity | NPD7500 | Approved |
0.5688 | Remote Similarity | NPD6411 | Approved |
0.5673 | Remote Similarity | NPD5362 | Discontinued |
0.5644 | Remote Similarity | NPD4268 | Approved |
0.5644 | Remote Similarity | NPD4271 | Approved |
0.5631 | Remote Similarity | NPD5369 | Approved |
0.562 | Remote Similarity | NPD969 | Suspended |
0.5619 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD9118 | Approved |
PubChem CID   | 44445361 |
ChEMBL   | CHEMBL252712 |
ZINC   |
Molecular Weight:   | 384.14 |
ALogP:   | -0.8931 |
MLogP:   | 2.45 |
XLogP:   | -0.686 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 120.75 |
# H-Bond Aceptor:   | 9 |
# H-Bond Donor:   | 2 |
# Rings:   | 4 |
# Heavy Atoms:   | 27 |