Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | IC50 | = | 96000 | nM | 23131412 |
NPT114 | Cell Line | LoVo | Homo sapiens | IC50 | = | 64000 | nM | 25871261 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 97000 | nM | 1431940 |
NPT2 | Others | Unspecified | IC50 | = | 60000 | nM | 21214226 | |
NPT2 | Others | Unspecified | IC50 | = | 85000 | nM | 20614907 | |
NPT306 | Cell Line | PC-3 | Homo sapiens | IC50 | = | 74000 | nM | Open TG-GATES in vivo data: Biochemistry |
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 NPC476422 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 |
---|---|---|
0.8421 | Intermediate Similarity | NPC329871 |
0.8 | Intermediate Similarity | NPC237510 |
0.8 | Intermediate Similarity | NPC475793 |
0.7895 | Intermediate Similarity | NPC476424 |
0.7561 | Intermediate Similarity | NPC163616 |
0.7465 | Intermediate Similarity | NPC185547 |
0.7465 | Intermediate Similarity | NPC95804 |
0.7326 | Intermediate Similarity | NPC475817 |
0.7237 | Intermediate Similarity | NPC107919 |
0.7215 | Intermediate Similarity | NPC139765 |
0.7215 | Intermediate Similarity | NPC131584 |
0.72 | Intermediate Similarity | NPC473230 |
0.72 | Intermediate Similarity | NPC475884 |
0.72 | Intermediate Similarity | NPC48079 |
0.7162 | Intermediate Similarity | NPC472946 |
0.7123 | Intermediate Similarity | NPC114891 |
0.7105 | Intermediate Similarity | NPC472741 |
0.7105 | Intermediate Similarity | NPC474756 |
0.7067 | Intermediate Similarity | NPC142712 |
0.7013 | Intermediate Similarity | NPC470830 |
0.7013 | Intermediate Similarity | NPC129829 |
0.7013 | Intermediate Similarity | NPC66407 |
0.7013 | Intermediate Similarity | NPC254037 |
0.7013 | Intermediate Similarity | NPC241085 |
0.7013 | Intermediate Similarity | NPC299948 |
0.6986 | Remote Similarity | NPC218585 |
0.6986 | Remote Similarity | NPC71460 |
0.6986 | Remote Similarity | NPC148174 |
0.6977 | Remote Similarity | NPC313115 |
0.6974 | Remote Similarity | NPC63190 |
0.6962 | Remote Similarity | NPC476609 |
0.6933 | Remote Similarity | NPC473276 |
0.6933 | Remote Similarity | NPC80463 |
0.6933 | Remote Similarity | NPC474380 |
0.6933 | Remote Similarity | NPC41577 |
0.6923 | Remote Similarity | NPC192192 |
0.6923 | Remote Similarity | NPC231945 |
0.6923 | Remote Similarity | NPC282454 |
0.6901 | Remote Similarity | NPC135438 |
0.6901 | Remote Similarity | NPC291147 |
0.6897 | Remote Similarity | NPC475276 |
0.6875 | Remote Similarity | NPC304499 |
0.6875 | Remote Similarity | NPC10476 |
0.6875 | Remote Similarity | NPC192501 |
0.6875 | Remote Similarity | NPC228994 |
0.6857 | Remote Similarity | NPC471269 |
0.6842 | Remote Similarity | NPC44122 |
0.6835 | Remote Similarity | NPC1340 |
0.6835 | Remote Similarity | NPC157422 |
0.6835 | Remote Similarity | NPC473279 |
0.6835 | Remote Similarity | NPC252182 |
0.6835 | Remote Similarity | NPC195530 |
0.6835 | Remote Similarity | NPC127094 |
0.6835 | Remote Similarity | NPC187471 |
0.6835 | Remote Similarity | NPC131506 |
0.6835 | Remote Similarity | NPC109457 |
0.6835 | Remote Similarity | NPC470071 |
0.6835 | Remote Similarity | NPC100586 |
0.6835 | Remote Similarity | NPC157777 |
0.6818 | Remote Similarity | NPC174273 |
0.6806 | Remote Similarity | NPC87296 |
0.6806 | Remote Similarity | NPC476735 |
0.6806 | Remote Similarity | NPC215671 |
0.6806 | Remote Similarity | NPC475515 |
0.68 | Remote Similarity | NPC69149 |
0.68 | Remote Similarity | NPC118937 |
0.68 | Remote Similarity | NPC281540 |
0.68 | Remote Similarity | NPC167995 |
0.68 | Remote Similarity | NPC159654 |
0.68 | Remote Similarity | NPC219940 |
0.6795 | Remote Similarity | NPC477820 |
0.679 | Remote Similarity | NPC476605 |
0.679 | Remote Similarity | NPC158208 |
0.679 | Remote Similarity | NPC196136 |
0.679 | Remote Similarity | NPC243027 |
0.679 | Remote Similarity | NPC317242 |
0.6786 | Remote Similarity | NPC117137 |
0.6786 | Remote Similarity | NPC66766 |
0.675 | Remote Similarity | NPC473238 |
0.675 | Remote Similarity | NPC153719 |
0.675 | Remote Similarity | NPC472341 |
0.6742 | Remote Similarity | NPC188896 |
0.6742 | Remote Similarity | NPC131453 |
0.6712 | Remote Similarity | NPC95958 |
0.6711 | Remote Similarity | NPC475943 |
0.6711 | Remote Similarity | NPC243469 |
0.6711 | Remote Similarity | NPC190827 |
0.6709 | Remote Similarity | NPC251201 |
0.6709 | Remote Similarity | NPC232925 |
0.6709 | Remote Similarity | NPC63588 |
0.6707 | Remote Similarity | NPC163597 |
0.6707 | Remote Similarity | NPC470145 |
0.6706 | Remote Similarity | NPC473257 |
0.6667 | Remote Similarity | NPC236099 |
0.6667 | Remote Similarity | NPC239453 |
0.6667 | Remote Similarity | NPC29976 |
0.6667 | Remote Similarity | NPC476610 |
0.6667 | Remote Similarity | NPC209686 |
0.6667 | Remote Similarity | NPC475458 |
0.6667 | Remote Similarity | NPC236588 |
0.6667 | Remote Similarity | NPC249078 |
0.6667 | Remote Similarity | NPC150713 |
0.6667 | Remote Similarity | NPC224552 |
0.6667 | Remote Similarity | NPC478130 |
0.6667 | Remote Similarity | NPC477508 |
0.6627 | Remote Similarity | NPC128951 |
0.6627 | Remote Similarity | NPC302578 |
0.6627 | Remote Similarity | NPC476233 |
0.6627 | Remote Similarity | NPC192046 |
0.6627 | Remote Similarity | NPC477227 |
0.6627 | Remote Similarity | NPC133596 |
0.6627 | Remote Similarity | NPC185915 |
0.6627 | Remote Similarity | NPC105208 |
0.6627 | Remote Similarity | NPC11907 |
0.6625 | Remote Similarity | NPC478103 |
0.6625 | Remote Similarity | NPC8004 |
0.6625 | Remote Similarity | NPC127283 |
0.6585 | Remote Similarity | NPC3403 |
0.6585 | Remote Similarity | NPC231680 |
0.6585 | Remote Similarity | NPC91387 |
0.6585 | Remote Similarity | NPC270306 |
0.6582 | Remote Similarity | NPC99264 |
0.6552 | Remote Similarity | NPC29342 |
0.6552 | Remote Similarity | NPC2572 |
0.6548 | Remote Similarity | NPC18857 |
0.6548 | Remote Similarity | NPC147993 |
0.6548 | Remote Similarity | NPC67657 |
0.6548 | Remote Similarity | NPC471769 |
0.6548 | Remote Similarity | NPC31828 |
0.6543 | Remote Similarity | NPC470610 |
0.6543 | Remote Similarity | NPC232112 |
0.6528 | Remote Similarity | NPC3025 |
0.6506 | Remote Similarity | NPC93662 |
0.6506 | Remote Similarity | NPC91573 |
0.6506 | Remote Similarity | NPC476606 |
0.6506 | Remote Similarity | NPC476607 |
0.6506 | Remote Similarity | NPC278091 |
0.6506 | Remote Similarity | NPC78067 |
0.6494 | Remote Similarity | NPC300442 |
0.6494 | Remote Similarity | NPC260116 |
0.6486 | Remote Similarity | NPC475968 |
0.6479 | Remote Similarity | NPC202146 |
0.6479 | Remote Similarity | NPC53209 |
0.6479 | Remote Similarity | NPC32222 |
0.6477 | Remote Similarity | NPC242016 |
0.6471 | Remote Similarity | NPC476603 |
0.6471 | Remote Similarity | NPC477282 |
0.6471 | Remote Similarity | NPC81074 |
0.6471 | Remote Similarity | NPC129501 |
0.6471 | Remote Similarity | NPC269333 |
0.6471 | Remote Similarity | NPC287452 |
0.6463 | Remote Similarity | NPC472945 |
0.6463 | Remote Similarity | NPC48795 |
0.6463 | Remote Similarity | NPC472944 |
0.6438 | Remote Similarity | NPC119425 |
0.6429 | Remote Similarity | NPC475031 |
0.6429 | Remote Similarity | NPC31037 |
0.6429 | Remote Similarity | NPC474574 |
0.6429 | Remote Similarity | NPC64081 |
0.6429 | Remote Similarity | NPC23884 |
0.642 | Remote Similarity | NPC58057 |
0.642 | Remote Similarity | NPC151018 |
0.642 | Remote Similarity | NPC156277 |
0.642 | Remote Similarity | NPC111234 |
0.642 | Remote Similarity | NPC320549 |
0.642 | Remote Similarity | NPC475077 |
0.6395 | Remote Similarity | NPC16449 |
0.6389 | Remote Similarity | NPC89069 |
0.6389 | Remote Similarity | NPC178223 |
0.6389 | Remote Similarity | NPC283655 |
0.6389 | Remote Similarity | NPC277917 |
0.6389 | Remote Similarity | NPC166894 |
0.6386 | Remote Similarity | NPC186851 |
0.6386 | Remote Similarity | NPC230704 |
0.6386 | Remote Similarity | NPC185536 |
0.6386 | Remote Similarity | NPC195155 |
0.6386 | Remote Similarity | NPC125767 |
0.6386 | Remote Similarity | NPC97534 |
0.6386 | Remote Similarity | NPC212879 |
0.6386 | Remote Similarity | NPC104387 |
0.6386 | Remote Similarity | NPC240235 |
0.6386 | Remote Similarity | NPC273366 |
0.6386 | Remote Similarity | NPC70982 |
0.6386 | Remote Similarity | NPC178383 |
0.6386 | Remote Similarity | NPC21220 |
0.6386 | Remote Similarity | NPC174964 |
0.6386 | Remote Similarity | NPC231256 |
0.6386 | Remote Similarity | NPC212733 |
0.6375 | Remote Similarity | NPC470833 |
0.6375 | Remote Similarity | NPC476604 |
0.6364 | Remote Similarity | NPC199937 |
0.6353 | Remote Similarity | NPC42853 |
0.6353 | Remote Similarity | NPC472501 |
0.6353 | Remote Similarity | NPC285761 |
0.6353 | Remote Similarity | NPC471045 |
0.6353 | Remote Similarity | NPC472342 |
0.6353 | Remote Similarity | NPC301707 |
0.6351 | Remote Similarity | NPC47663 |
0.6351 | Remote Similarity | NPC162685 |
0.6341 | Remote Similarity | NPC253805 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC476422 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 |
---|---|---|---|
0.7237 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.6747 | Remote Similarity | NPD3671 | Phase 1 |
0.6709 | Remote Similarity | NPD4787 | Phase 1 |
0.642 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.642 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.631 | Remote Similarity | NPD6117 | Approved |
0.6282 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6265 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6235 | Remote Similarity | NPD6116 | Phase 1 |
0.6207 | Remote Similarity | NPD7525 | Registered |
0.6176 | Remote Similarity | NPD385 | Approved |
0.6176 | Remote Similarity | NPD384 | Approved |
0.6173 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6173 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6163 | Remote Similarity | NPD6697 | Approved |
0.6163 | Remote Similarity | NPD6114 | Approved |
0.6163 | Remote Similarity | NPD6118 | Approved |
0.6163 | Remote Similarity | NPD6115 | Approved |
0.6098 | Remote Similarity | NPD4244 | Approved |
0.6098 | Remote Similarity | NPD4789 | Approved |
0.6098 | Remote Similarity | NPD4245 | Approved |
0.6071 | Remote Similarity | NPD6924 | Approved |
0.6071 | Remote Similarity | NPD6926 | Approved |
0.6049 | Remote Similarity | NPD5360 | Phase 3 |
0.6049 | Remote Similarity | NPD6705 | Phase 1 |
0.6049 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD3703 | Phase 2 |
0.5976 | Remote Similarity | NPD3698 | Phase 2 |
0.593 | Remote Similarity | NPD6933 | Approved |
0.5843 | Remote Similarity | NPD6930 | Phase 2 |
0.5843 | Remote Similarity | NPD6928 | Phase 2 |
0.5843 | Remote Similarity | NPD6931 | Approved |
0.5843 | Remote Similarity | NPD4748 | Discontinued |
0.5814 | Remote Similarity | NPD7339 | Approved |
0.5814 | Remote Similarity | NPD6942 | Approved |
0.573 | Remote Similarity | NPD6929 | Approved |
0.5699 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5682 | Remote Similarity | NPD6932 | Approved |
0.5667 | Remote Similarity | NPD7509 | Discontinued |
0.5652 | Remote Similarity | NPD6695 | Phase 3 |
0.5647 | Remote Similarity | NPD4758 | Discontinued |
0.5632 | Remote Similarity | NPD3702 | Approved |
PubChem CID   | 46232272 |
ChEMBL   | CHEMBL599309 |
ZINC   |
Molecular Weight:   | 386.18 |
ALogP:   | 1.3682 |
MLogP:   | 3.33 |
XLogP:   | 6.283 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 40.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 23 |