Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | nM | 10.6019/CHEMBL1201861 |
NPT659 | Cell Line | SMMC-7721 | Homo sapiens | IC50 | > | 10000 | nM | 11374944 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 10000 | nM | 10.1007/s00044-011-9937-1 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 10000 | nM | 24689881 |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | > | 10000 | 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 NPC471269 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 |
---|---|---|
0.9091 | High Similarity | NPC215671 |
0.9091 | High Similarity | NPC87296 |
0.9091 | High Similarity | NPC475515 |
0.8909 | High Similarity | NPC236588 |
0.8704 | High Similarity | NPC53209 |
0.8571 | High Similarity | NPC135438 |
0.8305 | Intermediate Similarity | NPC95804 |
0.8305 | Intermediate Similarity | NPC185547 |
0.8226 | Intermediate Similarity | NPC185874 |
0.8226 | Intermediate Similarity | NPC139207 |
0.8148 | Intermediate Similarity | NPC307022 |
0.8103 | Intermediate Similarity | NPC47663 |
0.8077 | Intermediate Similarity | NPC176309 |
0.8077 | Intermediate Similarity | NPC147343 |
0.8077 | Intermediate Similarity | NPC198540 |
0.8077 | Intermediate Similarity | NPC223468 |
0.8077 | Intermediate Similarity | NPC287550 |
0.8077 | Intermediate Similarity | NPC84030 |
0.8033 | Intermediate Similarity | NPC94897 |
0.7903 | Intermediate Similarity | NPC80463 |
0.7903 | Intermediate Similarity | NPC260116 |
0.7857 | Intermediate Similarity | NPC102336 |
0.7857 | Intermediate Similarity | NPC36002 |
0.7843 | Intermediate Similarity | NPC144891 |
0.7812 | Intermediate Similarity | NPC472741 |
0.7778 | Intermediate Similarity | NPC44122 |
0.7742 | Intermediate Similarity | NPC101128 |
0.7742 | Intermediate Similarity | NPC144650 |
0.7736 | Intermediate Similarity | NPC14552 |
0.7727 | Intermediate Similarity | NPC164022 |
0.7727 | Intermediate Similarity | NPC471272 |
0.7692 | Intermediate Similarity | NPC470833 |
0.7692 | Intermediate Similarity | NPC66407 |
0.7692 | Intermediate Similarity | NPC240994 |
0.7667 | Intermediate Similarity | NPC185116 |
0.7656 | Intermediate Similarity | NPC48079 |
0.7656 | Intermediate Similarity | NPC253303 |
0.7656 | Intermediate Similarity | NPC476928 |
0.7656 | Intermediate Similarity | NPC269077 |
0.7619 | Intermediate Similarity | NPC11555 |
0.7619 | Intermediate Similarity | NPC208198 |
0.7619 | Intermediate Similarity | NPC60837 |
0.7619 | Intermediate Similarity | NPC172613 |
0.7619 | Intermediate Similarity | NPC282619 |
0.7619 | Intermediate Similarity | NPC2728 |
0.7612 | Intermediate Similarity | NPC253805 |
0.7586 | Intermediate Similarity | NPC300189 |
0.7581 | Intermediate Similarity | NPC290791 |
0.7581 | Intermediate Similarity | NPC236099 |
0.7581 | Intermediate Similarity | NPC209686 |
0.7581 | Intermediate Similarity | NPC114891 |
0.7581 | Intermediate Similarity | NPC249078 |
0.7581 | Intermediate Similarity | NPC292419 |
0.7576 | Intermediate Similarity | NPC282454 |
0.7544 | Intermediate Similarity | NPC161473 |
0.7538 | Intermediate Similarity | NPC244790 |
0.7538 | Intermediate Similarity | NPC475893 |
0.7538 | Intermediate Similarity | NPC474756 |
0.75 | Intermediate Similarity | NPC142712 |
0.75 | Intermediate Similarity | NPC470151 |
0.7463 | Intermediate Similarity | NPC157422 |
0.7463 | Intermediate Similarity | NPC100586 |
0.7463 | Intermediate Similarity | NPC470071 |
0.7463 | Intermediate Similarity | NPC109457 |
0.7463 | Intermediate Similarity | NPC252182 |
0.7463 | Intermediate Similarity | NPC127094 |
0.7463 | Intermediate Similarity | NPC1340 |
0.7463 | Intermediate Similarity | NPC187471 |
0.746 | Intermediate Similarity | NPC167995 |
0.746 | Intermediate Similarity | NPC159654 |
0.746 | Intermediate Similarity | NPC281540 |
0.746 | Intermediate Similarity | NPC118937 |
0.746 | Intermediate Similarity | NPC219940 |
0.7455 | Intermediate Similarity | NPC294858 |
0.7424 | Intermediate Similarity | NPC299948 |
0.7424 | Intermediate Similarity | NPC477820 |
0.7424 | Intermediate Similarity | NPC254037 |
0.7424 | Intermediate Similarity | NPC210323 |
0.7424 | Intermediate Similarity | NPC241085 |
0.7424 | Intermediate Similarity | NPC470830 |
0.7424 | Intermediate Similarity | NPC129829 |
0.7424 | Intermediate Similarity | NPC107919 |
0.7419 | Intermediate Similarity | NPC148174 |
0.7419 | Intermediate Similarity | NPC218585 |
0.7419 | Intermediate Similarity | NPC71460 |
0.7414 | Intermediate Similarity | NPC202146 |
0.7414 | Intermediate Similarity | NPC32222 |
0.7385 | Intermediate Similarity | NPC475884 |
0.7385 | Intermediate Similarity | NPC473230 |
0.7385 | Intermediate Similarity | NPC472984 |
0.7385 | Intermediate Similarity | NPC204233 |
0.7353 | Intermediate Similarity | NPC95165 |
0.7344 | Intermediate Similarity | NPC258595 |
0.7344 | Intermediate Similarity | NPC474380 |
0.7344 | Intermediate Similarity | NPC41577 |
0.7344 | Intermediate Similarity | NPC473276 |
0.7344 | Intermediate Similarity | NPC472946 |
0.7333 | Intermediate Similarity | NPC29976 |
0.7333 | Intermediate Similarity | NPC150713 |
0.7313 | Intermediate Similarity | NPC63588 |
0.7313 | Intermediate Similarity | NPC92801 |
0.7313 | Intermediate Similarity | NPC192192 |
0.7313 | Intermediate Similarity | NPC231945 |
0.7313 | Intermediate Similarity | NPC232925 |
0.7313 | Intermediate Similarity | NPC251201 |
0.7286 | Intermediate Similarity | NPC167873 |
0.7286 | Intermediate Similarity | NPC1973 |
0.7273 | Intermediate Similarity | NPC245795 |
0.7273 | Intermediate Similarity | NPC469987 |
0.7273 | Intermediate Similarity | NPC2648 |
0.7273 | Intermediate Similarity | NPC471238 |
0.7273 | Intermediate Similarity | NPC276616 |
0.7273 | Intermediate Similarity | NPC314087 |
0.7246 | Intermediate Similarity | NPC228994 |
0.7246 | Intermediate Similarity | NPC237510 |
0.7246 | Intermediate Similarity | NPC304499 |
0.7246 | Intermediate Similarity | NPC192501 |
0.7246 | Intermediate Similarity | NPC475793 |
0.7246 | Intermediate Similarity | NPC10476 |
0.7246 | Intermediate Similarity | NPC475458 |
0.7231 | Intermediate Similarity | NPC473929 |
0.7222 | Intermediate Similarity | NPC77550 |
0.7222 | Intermediate Similarity | NPC108441 |
0.7206 | Intermediate Similarity | NPC167706 |
0.7206 | Intermediate Similarity | NPC131506 |
0.7206 | Intermediate Similarity | NPC478103 |
0.7206 | Intermediate Similarity | NPC157777 |
0.7206 | Intermediate Similarity | NPC473279 |
0.7206 | Intermediate Similarity | NPC195530 |
0.7188 | Intermediate Similarity | NPC69149 |
0.7188 | Intermediate Similarity | NPC68656 |
0.7183 | Intermediate Similarity | NPC307865 |
0.7183 | Intermediate Similarity | NPC85105 |
0.7183 | Intermediate Similarity | NPC149550 |
0.7167 | Intermediate Similarity | NPC3025 |
0.7164 | Intermediate Similarity | NPC9942 |
0.7143 | Intermediate Similarity | NPC472950 |
0.7143 | Intermediate Similarity | NPC243027 |
0.7143 | Intermediate Similarity | NPC3403 |
0.7143 | Intermediate Similarity | NPC158208 |
0.7143 | Intermediate Similarity | NPC472952 |
0.7143 | Intermediate Similarity | NPC316035 |
0.7143 | Intermediate Similarity | NPC317242 |
0.7143 | Intermediate Similarity | NPC196136 |
0.7121 | Intermediate Similarity | NPC63190 |
0.7101 | Intermediate Similarity | NPC153719 |
0.7101 | Intermediate Similarity | NPC470610 |
0.7101 | Intermediate Similarity | NPC473238 |
0.7101 | Intermediate Similarity | NPC472341 |
0.7097 | Intermediate Similarity | NPC95958 |
0.7083 | Intermediate Similarity | NPC147993 |
0.7083 | Intermediate Similarity | NPC475725 |
0.7083 | Intermediate Similarity | NPC272841 |
0.7077 | Intermediate Similarity | NPC300442 |
0.7069 | Intermediate Similarity | NPC476149 |
0.7069 | Intermediate Similarity | NPC300235 |
0.7069 | Intermediate Similarity | NPC244869 |
0.7069 | Intermediate Similarity | NPC476136 |
0.7059 | Intermediate Similarity | NPC283316 |
0.7042 | Intermediate Similarity | NPC63958 |
0.7042 | Intermediate Similarity | NPC163597 |
0.7 | Intermediate Similarity | NPC283655 |
0.7 | Intermediate Similarity | NPC277917 |
0.7 | Intermediate Similarity | NPC89069 |
0.7 | Intermediate Similarity | NPC166894 |
0.7 | Intermediate Similarity | NPC477508 |
0.7 | Intermediate Similarity | NPC48795 |
0.7 | Intermediate Similarity | NPC178223 |
0.6984 | Remote Similarity | NPC204173 |
0.6984 | Remote Similarity | NPC475412 |
0.697 | Remote Similarity | NPC475897 |
0.6957 | Remote Similarity | NPC8004 |
0.6957 | Remote Similarity | NPC471268 |
0.6957 | Remote Similarity | NPC127283 |
0.6957 | Remote Similarity | NPC471271 |
0.6957 | Remote Similarity | NPC89310 |
0.6957 | Remote Similarity | NPC477792 |
0.6957 | Remote Similarity | NPC23954 |
0.6944 | Remote Similarity | NPC302578 |
0.6944 | Remote Similarity | NPC475031 |
0.6944 | Remote Similarity | NPC476233 |
0.6944 | Remote Similarity | NPC477227 |
0.6944 | Remote Similarity | NPC474574 |
0.6944 | Remote Similarity | NPC105208 |
0.6944 | Remote Similarity | NPC169994 |
0.6944 | Remote Similarity | NPC128951 |
0.6944 | Remote Similarity | NPC64081 |
0.6944 | Remote Similarity | NPC185915 |
0.6944 | Remote Similarity | NPC192046 |
0.6935 | Remote Similarity | NPC476735 |
0.6935 | Remote Similarity | NPC189290 |
0.6935 | Remote Similarity | NPC474769 |
0.6923 | Remote Similarity | NPC225415 |
0.6912 | Remote Similarity | NPC6120 |
0.6912 | Remote Similarity | NPC327728 |
0.6912 | Remote Similarity | NPC131892 |
0.6912 | Remote Similarity | NPC213178 |
0.6912 | Remote Similarity | NPC234511 |
0.6901 | Remote Similarity | NPC91387 |
0.6901 | Remote Similarity | NPC131584 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC471269 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 |
---|---|---|---|
0.8077 | Intermediate Similarity | NPD384 | Approved |
0.8077 | Intermediate Similarity | NPD385 | Approved |
0.7424 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD386 | Approved |
0.7222 | Intermediate Similarity | NPD388 | Approved |
0.7188 | Intermediate Similarity | NPD371 | Approved |
0.7059 | Intermediate Similarity | NPD4787 | Phase 1 |
0.6912 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6912 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6714 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6714 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6712 | Remote Similarity | NPD6116 | Phase 1 |
0.6667 | Remote Similarity | NPD7525 | Registered |
0.6667 | Remote Similarity | NPD3703 | Phase 2 |
0.6575 | Remote Similarity | NPD6117 | Approved |
0.6567 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6528 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD3698 | Phase 2 |
0.64 | Remote Similarity | NPD6114 | Approved |
0.64 | Remote Similarity | NPD6697 | Approved |
0.64 | Remote Similarity | NPD6115 | Approved |
0.64 | Remote Similarity | NPD6118 | Approved |
0.6338 | Remote Similarity | NPD4245 | Approved |
0.6338 | Remote Similarity | NPD4244 | Approved |
0.6316 | Remote Similarity | NPD7645 | Phase 2 |
0.6301 | Remote Similarity | NPD1811 | Approved |
0.6301 | Remote Similarity | NPD1810 | Approved |
0.6286 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6286 | Remote Similarity | NPD5360 | Phase 3 |
0.6234 | Remote Similarity | NPD6928 | Phase 2 |
0.6234 | Remote Similarity | NPD4748 | Discontinued |
0.6184 | Remote Similarity | NPD3671 | Phase 1 |
0.6133 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD4789 | Approved |
0.6111 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6081 | Remote Similarity | NPD6926 | Approved |
0.6081 | Remote Similarity | NPD6924 | Approved |
0.6071 | Remote Similarity | NPD1462 | Approved |
0.6056 | Remote Similarity | NPD6705 | Phase 1 |
0.6027 | Remote Similarity | NPD4758 | Discontinued |
0.6026 | Remote Similarity | NPD7509 | Discontinued |
0.6 | Remote Similarity | NPD7339 | Approved |
0.6 | Remote Similarity | NPD1460 | Approved |
0.6 | Remote Similarity | NPD6942 | Approved |
0.5965 | Remote Similarity | NPD367 | Approved |
0.5921 | Remote Similarity | NPD6933 | Approved |
0.5882 | Remote Similarity | NPD368 | Approved |
0.5854 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD8264 | Approved |
0.5789 | Remote Similarity | NPD3702 | Approved |
0.5783 | Remote Similarity | NPD3618 | Phase 1 |
0.5781 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5775 | Remote Similarity | NPD4224 | Phase 2 |
0.5747 | Remote Similarity | NPD4202 | Approved |
0.5679 | Remote Similarity | NPD3667 | Approved |
0.5676 | Remote Similarity | NPD2686 | Approved |
0.5676 | Remote Similarity | NPD2687 | Approved |
0.5676 | Remote Similarity | NPD2254 | Approved |
0.5625 | Remote Similarity | NPD6931 | Approved |
0.5625 | Remote Similarity | NPD6930 | Phase 2 |
0.5606 | Remote Similarity | NPD586 | Phase 1 |
0.56 | Remote Similarity | NPD7152 | Approved |
0.56 | Remote Similarity | NPD7151 | Approved |
0.56 | Remote Similarity | NPD7150 | Approved |
PubChem CID   | 73355097 |
ChEMBL   | CHEMBL2407696 |
ZINC   |
Molecular Weight:   | 230.19 |
ALogP:   | -0.3821 |
MLogP:   | 2.56 |
XLogP:   | 1.538 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 60.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 3 |
# Rings:   | 1 |
# Heavy Atoms:   | 16 |