Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | = | 1200 | nM | 19453174 |
NPT2477 | Cell Line | NUGC-3 | Homo sapiens | GI50 | = | 3500 | nM | 25953722 |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | = | 3300 | nM | 21074429 |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | = | 6400 | nM | 9917297 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | = | 3300 | nM | 15568791 |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | = | 2300 | nM | DrugMatrix in vitro pharmacology data |
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 NPC471339 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 |
---|---|---|
0.9634 | High Similarity | NPC471335 |
0.9305 | High Similarity | NPC123140 |
0.8969 | High Similarity | NPC471336 |
0.8969 | High Similarity | NPC470746 |
0.8967 | High Similarity | NPC8093 |
0.8967 | High Similarity | NPC121571 |
0.8684 | High Similarity | NPC474678 |
0.8684 | High Similarity | NPC471338 |
0.8639 | High Similarity | NPC475843 |
0.8513 | High Similarity | NPC471337 |
0.837 | Intermediate Similarity | NPC477255 |
0.8177 | Intermediate Similarity | NPC259071 |
0.8177 | Intermediate Similarity | NPC77435 |
0.8168 | Intermediate Similarity | NPC477254 |
0.8071 | Intermediate Similarity | NPC202866 |
0.7929 | Intermediate Similarity | NPC227953 |
0.7766 | Intermediate Similarity | NPC174607 |
0.7727 | Intermediate Similarity | NPC147847 |
0.7173 | Intermediate Similarity | NPC156311 |
0.6927 | Remote Similarity | NPC469711 |
0.6882 | Remote Similarity | NPC128877 |
0.6875 | Remote Similarity | NPC258222 |
0.6862 | Remote Similarity | NPC308571 |
0.6847 | Remote Similarity | NPC143450 |
0.6753 | Remote Similarity | NPC47672 |
0.6736 | Remote Similarity | NPC76412 |
0.6735 | Remote Similarity | NPC233926 |
0.6719 | Remote Similarity | NPC71629 |
0.6701 | Remote Similarity | NPC109968 |
0.6651 | Remote Similarity | NPC248822 |
0.6632 | Remote Similarity | NPC296085 |
0.6562 | Remote Similarity | NPC78530 |
0.6504 | Remote Similarity | NPC326027 |
0.6489 | Remote Similarity | NPC326333 |
0.6484 | Remote Similarity | NPC473450 |
0.6477 | Remote Similarity | NPC135349 |
0.6474 | Remote Similarity | NPC474673 |
0.6455 | Remote Similarity | NPC470471 |
0.6422 | Remote Similarity | NPC209463 |
0.6402 | Remote Similarity | NPC246591 |
0.6392 | Remote Similarity | NPC470472 |
0.6387 | Remote Similarity | NPC470470 |
0.6373 | Remote Similarity | NPC474128 |
0.6359 | Remote Similarity | NPC473693 |
0.6359 | Remote Similarity | NPC272463 |
0.6359 | Remote Similarity | NPC471568 |
0.6351 | Remote Similarity | NPC475396 |
0.633 | Remote Similarity | NPC80514 |
0.6324 | Remote Similarity | NPC110131 |
0.6318 | Remote Similarity | NPC323662 |
0.6313 | Remote Similarity | NPC102245 |
0.628 | Remote Similarity | NPC196091 |
0.6279 | Remote Similarity | NPC471591 |
0.6279 | Remote Similarity | NPC475658 |
0.6279 | Remote Similarity | NPC473892 |
0.6262 | Remote Similarity | NPC299806 |
0.625 | Remote Similarity | NPC82741 |
0.625 | Remote Similarity | NPC141405 |
0.625 | Remote Similarity | NPC473409 |
0.6244 | Remote Similarity | NPC301941 |
0.6244 | Remote Similarity | NPC214188 |
0.6244 | Remote Similarity | NPC74618 |
0.6239 | Remote Similarity | NPC64066 |
0.6232 | Remote Similarity | NPC186617 |
0.6211 | Remote Similarity | NPC247018 |
0.6211 | Remote Similarity | NPC307123 |
0.6211 | Remote Similarity | NPC97870 |
0.621 | Remote Similarity | NPC65714 |
0.621 | Remote Similarity | NPC328763 |
0.6209 | Remote Similarity | NPC469979 |
0.6209 | Remote Similarity | NPC226001 |
0.6204 | Remote Similarity | NPC96275 |
0.6199 | Remote Similarity | NPC469731 |
0.6179 | Remote Similarity | NPC207819 |
0.6179 | Remote Similarity | NPC298981 |
0.6179 | Remote Similarity | NPC473462 |
0.6179 | Remote Similarity | NPC126128 |
0.6179 | Remote Similarity | NPC110454 |
0.6157 | Remote Similarity | NPC49172 |
0.615 | Remote Similarity | NPC81845 |
0.615 | Remote Similarity | NPC290534 |
0.6135 | Remote Similarity | NPC469479 |
0.6134 | Remote Similarity | NPC213471 |
0.613 | Remote Similarity | NPC92235 |
0.6129 | Remote Similarity | NPC144823 |
0.6126 | Remote Similarity | NPC471592 |
0.6109 | Remote Similarity | NPC469721 |
0.61 | Remote Similarity | NPC324081 |
0.6094 | Remote Similarity | NPC67658 |
0.6087 | Remote Similarity | NPC295795 |
0.6085 | Remote Similarity | NPC225130 |
0.6073 | Remote Similarity | NPC230539 |
0.6073 | Remote Similarity | NPC283207 |
0.6059 | Remote Similarity | NPC235033 |
0.6059 | Remote Similarity | NPC471235 |
0.6059 | Remote Similarity | NPC73132 |
0.6055 | Remote Similarity | NPC80337 |
0.6041 | Remote Similarity | NPC204546 |
0.6028 | Remote Similarity | NPC475421 |
0.602 | Remote Similarity | NPC20755 |
0.6019 | Remote Similarity | NPC167763 |
0.6019 | Remote Similarity | NPC470112 |
0.6019 | Remote Similarity | NPC470903 |
0.6018 | Remote Similarity | NPC214368 |
0.601 | Remote Similarity | NPC132308 |
0.6009 | Remote Similarity | NPC14339 |
0.6008 | Remote Similarity | NPC243633 |
0.6008 | Remote Similarity | NPC175150 |
0.6 | Remote Similarity | NPC469505 |
0.5981 | Remote Similarity | NPC254700 |
0.598 | Remote Similarity | NPC470710 |
0.5979 | Remote Similarity | NPC470441 |
0.5979 | Remote Similarity | NPC303993 |
0.5963 | Remote Similarity | NPC315542 |
0.5959 | Remote Similarity | NPC474753 |
0.5957 | Remote Similarity | NPC219350 |
0.5957 | Remote Similarity | NPC194699 |
0.5953 | Remote Similarity | NPC475615 |
0.5949 | Remote Similarity | NPC196708 |
0.5939 | Remote Similarity | NPC40321 |
0.5938 | Remote Similarity | NPC474087 |
0.5936 | Remote Similarity | NPC276120 |
0.5933 | Remote Similarity | NPC158900 |
0.5933 | Remote Similarity | NPC472923 |
0.5928 | Remote Similarity | NPC169766 |
0.5922 | Remote Similarity | NPC56635 |
0.5907 | Remote Similarity | NPC473724 |
0.5907 | Remote Similarity | NPC475735 |
0.5902 | Remote Similarity | NPC256689 |
0.5902 | Remote Similarity | NPC123011 |
0.5895 | Remote Similarity | NPC320242 |
0.5885 | Remote Similarity | NPC67080 |
0.5882 | Remote Similarity | NPC124626 |
0.5876 | Remote Similarity | NPC470392 |
0.5859 | Remote Similarity | NPC123859 |
0.5855 | Remote Similarity | NPC277306 |
0.5855 | Remote Similarity | NPC469442 |
0.5855 | Remote Similarity | NPC474091 |
0.5847 | Remote Similarity | NPC50562 |
0.5833 | Remote Similarity | NPC242728 |
0.5829 | Remote Similarity | NPC71205 |
0.5829 | Remote Similarity | NPC470709 |
0.582 | Remote Similarity | NPC116562 |
0.5818 | Remote Similarity | NPC138083 |
0.5815 | Remote Similarity | NPC477550 |
0.5815 | Remote Similarity | NPC477552 |
0.5811 | Remote Similarity | NPC470951 |
0.5808 | Remote Similarity | NPC197045 |
0.5805 | Remote Similarity | NPC25539 |
0.5802 | Remote Similarity | NPC473502 |
0.5794 | Remote Similarity | NPC89831 |
0.5792 | Remote Similarity | NPC119569 |
0.5785 | Remote Similarity | NPC223384 |
0.5782 | Remote Similarity | NPC63931 |
0.5782 | Remote Similarity | NPC293164 |
0.5782 | Remote Similarity | NPC471394 |
0.5773 | Remote Similarity | NPC99280 |
0.5767 | Remote Similarity | NPC248670 |
0.5765 | Remote Similarity | NPC163810 |
0.5764 | Remote Similarity | NPC477551 |
0.5758 | Remote Similarity | NPC106606 |
0.5758 | Remote Similarity | NPC307682 |
0.5753 | Remote Similarity | NPC28368 |
0.575 | Remote Similarity | NPC81137 |
0.5747 | Remote Similarity | NPC128683 |
0.5744 | Remote Similarity | NPC11449 |
0.5743 | Remote Similarity | NPC147137 |
0.5743 | Remote Similarity | NPC473804 |
0.5742 | Remote Similarity | NPC319320 |
0.5742 | Remote Similarity | NPC287757 |
0.5741 | Remote Similarity | NPC164608 |
0.5741 | Remote Similarity | NPC471165 |
0.574 | Remote Similarity | NPC471650 |
0.5739 | Remote Similarity | NPC156055 |
0.5735 | Remote Similarity | NPC132771 |
0.5729 | Remote Similarity | NPC141739 |
0.5729 | Remote Similarity | NPC471237 |
0.5729 | Remote Similarity | NPC177967 |
0.5729 | Remote Similarity | NPC136112 |
0.5727 | Remote Similarity | NPC475283 |
0.5727 | Remote Similarity | NPC152205 |
0.5727 | Remote Similarity | NPC149962 |
0.5714 | Remote Similarity | NPC471203 |
0.5708 | Remote Similarity | NPC32064 |
0.5707 | Remote Similarity | NPC235633 |
0.5702 | Remote Similarity | NPC144314 |
0.5702 | Remote Similarity | NPC293347 |
0.5702 | Remote Similarity | NPC281629 |
0.57 | Remote Similarity | NPC39431 |
0.5695 | Remote Similarity | NPC4910 |
0.5695 | Remote Similarity | NPC94862 |
0.5694 | Remote Similarity | NPC90245 |
0.5689 | Remote Similarity | NPC473378 |
0.5689 | Remote Similarity | NPC473407 |
0.5686 | Remote Similarity | NPC272868 |
0.5686 | Remote Similarity | NPC270848 |
0.5686 | Remote Similarity | NPC122599 |
0.5685 | Remote Similarity | NPC168209 |
0.5684 | Remote Similarity | NPC79130 |
0.5678 | Remote Similarity | NPC470249 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC471339 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 |
---|---|---|---|
0.6313 | Remote Similarity | NPD5165 | Clinical (unspecified phase) |
0.6274 | Remote Similarity | NPD5192 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD2240 | Approved |
0.6269 | Remote Similarity | NPD2239 | Approved |
0.6238 | Remote Similarity | NPD2822 | Clinical (unspecified phase) |
0.6233 | Remote Similarity | NPD3154 | Approved |
0.6233 | Remote Similarity | NPD3153 | Approved |
0.6211 | Remote Similarity | NPD1423 | Approved |
0.6202 | Remote Similarity | NPD7608 | Discontinued |
0.6193 | Remote Similarity | NPD5525 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD3366 | Approved |
0.6162 | Remote Similarity | NPD3281 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD3465 | Clinical (unspecified phase) |
0.6049 | Remote Similarity | NPD4018 | Clinical (unspecified phase) |
0.602 | Remote Similarity | NPD3175 | Clinical (unspecified phase) |
0.602 | Remote Similarity | NPD4662 | Approved |
0.602 | Remote Similarity | NPD4661 | Approved |
0.601 | Remote Similarity | NPD8031 | Discontinued |
0.601 | Remote Similarity | NPD2976 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD2541 | Clinical (unspecified phase) |
0.5991 | Remote Similarity | NPD6863 | Phase 2 |
0.5982 | Remote Similarity | NPD3863 | Clinical (unspecified phase) |
0.5982 | Remote Similarity | NPD3857 | Clinical (unspecified phase) |
0.5942 | Remote Similarity | NPD7972 | Discontinued |
0.5941 | Remote Similarity | NPD3536 | Discontinued |
0.5924 | Remote Similarity | NPD7484 | Phase 3 |
0.5924 | Remote Similarity | NPD7485 | Phase 3 |
0.5913 | Remote Similarity | NPD7318 | Phase 3 |
0.5909 | Remote Similarity | NPD8059 | Phase 3 |
0.5909 | Remote Similarity | NPD8058 | Clinical (unspecified phase) |
0.5905 | Remote Similarity | NPD6315 | Phase 2 |
0.5902 | Remote Similarity | NPD2651 | Approved |
0.5902 | Remote Similarity | NPD2649 | Approved |
0.5895 | Remote Similarity | NPD1819 | Approved |
0.5895 | Remote Similarity | NPD1818 | Approved |
0.5895 | Remote Similarity | NPD1817 | Approved |
0.5895 | Remote Similarity | NPD1770 | Clinical (unspecified phase) |
0.5895 | Remote Similarity | NPD1820 | Approved |
0.5882 | Remote Similarity | NPD7131 | Phase 3 |
0.5872 | Remote Similarity | NPD3936 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD5348 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD1725 | Approved |
0.5856 | Remote Similarity | NPD4259 | Approved |
0.5856 | Remote Similarity | NPD4258 | Approved |
0.5855 | Remote Similarity | NPD3164 | Approved |
0.5855 | Remote Similarity | NPD3180 | Approved |
0.5855 | Remote Similarity | NPD3165 | Approved |
0.5855 | Remote Similarity | NPD3166 | Approved |
0.5855 | Remote Similarity | NPD3179 | Approved |
0.5855 | Remote Similarity | NPD9718 | Approved |
0.5855 | Remote Similarity | NPD3167 | Approved |
0.5848 | Remote Similarity | NPD4466 | Phase 1 |
0.5845 | Remote Similarity | NPD6677 | Suspended |
0.5826 | Remote Similarity | NPD1298 | Discontinued |
0.5817 | Remote Similarity | NPD7317 | Phase 3 |
0.5806 | Remote Similarity | NPD2325 | Approved |
0.5805 | Remote Similarity | NPD5586 | Clinical (unspecified phase) |
0.5795 | Remote Similarity | NPD3162 | Approved |
0.5795 | Remote Similarity | NPD3163 | Approved |
0.5787 | Remote Similarity | NPD6620 | Discovery |
0.5785 | Remote Similarity | NPD6377 | Clinical (unspecified phase) |
0.5784 | Remote Similarity | NPD3985 | Discontinued |
0.5779 | Remote Similarity | NPD2161 | Phase 2 |
0.5773 | Remote Similarity | NPD5163 | Phase 2 |
0.5771 | Remote Similarity | NPD4162 | Approved |
0.5767 | Remote Similarity | NPD4575 | Clinical (unspecified phase) |
0.5767 | Remote Similarity | NPD3451 | Clinical (unspecified phase) |
0.5762 | Remote Similarity | NPD2296 | Approved |
0.5756 | Remote Similarity | NPD1975 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD4413 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD7256 | Discontinued |
0.575 | Remote Similarity | NPD3656 | Approved |
0.5749 | Remote Similarity | NPD3769 | Discontinued |
0.5742 | Remote Similarity | NPD5355 | Approved |
0.5742 | Remote Similarity | NPD5356 | Approved |
0.5741 | Remote Similarity | NPD5605 | Phase 2 |
0.5729 | Remote Similarity | NPD1794 | Approved |
0.5728 | Remote Similarity | NPD2042 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD2041 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD7880 | Clinical (unspecified phase) |
0.5721 | Remote Similarity | NPD2388 | Discontinued |
0.5721 | Remote Similarity | NPD7596 | Clinical (unspecified phase) |
0.5721 | Remote Similarity | NPD7565 | Approved |
0.5714 | Remote Similarity | NPD1726 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5910 | Clinical (unspecified phase) |
0.5708 | Remote Similarity | NPD1309 | Phase 2 |
0.5708 | Remote Similarity | NPD1307 | Phase 2 |
0.5707 | Remote Similarity | NPD6419 | Discontinued |
0.5707 | Remote Similarity | NPD3054 | Approved |
0.5707 | Remote Similarity | NPD3052 | Approved |
0.57 | Remote Similarity | NPD3687 | Approved |
0.57 | Remote Similarity | NPD5712 | Approved |
0.57 | Remote Similarity | NPD3686 | Approved |
0.57 | Remote Similarity | NPD4124 | Clinical (unspecified phase) |
0.5694 | Remote Similarity | NPD7118 | Clinical (unspecified phase) |
0.5693 | Remote Similarity | NPD2460 | Phase 3 |
0.5693 | Remote Similarity | NPD2458 | Approved |
0.5693 | Remote Similarity | NPD2459 | Approved |
0.5688 | Remote Similarity | NPD5095 | Phase 3 |
0.5688 | Remote Similarity | NPD5096 | Phase 3 |
0.5688 | Remote Similarity | NPD3933 | Discontinued |
0.5684 | Remote Similarity | NPD7584 | Approved |
0.5682 | Remote Similarity | NPD7038 | Approved |
0.5682 | Remote Similarity | NPD7039 | Approved |
0.5681 | Remote Similarity | NPD6862 | Phase 2 |
0.568 | Remote Similarity | NPD7527 | Clinical (unspecified phase) |
0.568 | Remote Similarity | NPD52 | Approved |
0.568 | Remote Similarity | NPD7526 | Approved |
0.568 | Remote Similarity | NPD4186 | Clinical (unspecified phase) |
0.567 | Remote Similarity | NPD2250 | Discontinued |
0.5664 | Remote Similarity | NPD3269 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD3056 | Clinical (unspecified phase) |
0.5662 | Remote Similarity | NPD5557 | Phase 1 |
0.5654 | Remote Similarity | NPD2904 | Discontinued |
0.5652 | Remote Similarity | NPD7810 | Phase 3 |
0.5652 | Remote Similarity | NPD7811 | Phase 3 |
0.5644 | Remote Similarity | NPD7153 | Discontinued |
0.5635 | Remote Similarity | NPD5745 | Approved |
0.5635 | Remote Similarity | NPD2245 | Discovery |
0.5631 | Remote Similarity | NPD2874 | Phase 2 |
0.5628 | Remote Similarity | NPD6519 | Phase 2 |
0.5625 | Remote Similarity | NPD6793 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD8398 | Clinical (unspecified phase) |
0.5616 | Remote Similarity | NPD1416 | Approved |
0.561 | Remote Similarity | NPD5295 | Discontinued |
0.5606 | Remote Similarity | NPD3597 | Clinical (unspecified phase) |
0.5605 | Remote Similarity | NPD6853 | Approved |
0.5605 | Remote Similarity | NPD6851 | Approved |
0.5604 | Remote Similarity | NPD2186 | Approved |
0.5604 | Remote Similarity | NPD6390 | Discontinued |
0.5603 | Remote Similarity | NPD7476 | Discontinued |
0.56 | Remote Similarity | NPD7693 | Approved |
0.56 | Remote Similarity | NPD3490 | Discontinued |
PubChem CID   | 73349161 |
ChEMBL   | CHEMBL2419320 |
ZINC   |
Molecular Weight:   | 870.81 |
ALogP:   | 0.4821 |
MLogP:   | 2.67 |
XLogP:   | 6.093 |
# Rotatable Bonds:   | 19 |
Polar Surface Area:   | 144.78 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 3 |
# Rings:   | 4 |
# Heavy Atoms:   | 43 |