Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1452 | Cell Line | C8166 | Homo sapiens | CC50 | = | 163000 | nM | 18303847 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | = | 16100 | nM | 18303847 |
NPT2 | Others | Unspecified | Ratio CC50/EC50 | = | 10.1 | 18303847 |
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 NPC298595 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 |
---|---|---|
0.8315 | Intermediate Similarity | NPC191323 |
0.8293 | Intermediate Similarity | NPC476703 |
0.8276 | Intermediate Similarity | NPC472379 |
0.8193 | Intermediate Similarity | NPC13823 |
0.8193 | Intermediate Similarity | NPC68119 |
0.8172 | Intermediate Similarity | NPC120446 |
0.8132 | Intermediate Similarity | NPC119379 |
0.7952 | Intermediate Similarity | NPC170148 |
0.7927 | Intermediate Similarity | NPC24590 |
0.7872 | Intermediate Similarity | NPC210717 |
0.7872 | Intermediate Similarity | NPC103165 |
0.7805 | Intermediate Similarity | NPC476709 |
0.7802 | Intermediate Similarity | NPC128066 |
0.7791 | Intermediate Similarity | NPC236707 |
0.7789 | Intermediate Similarity | NPC472998 |
0.7778 | Intermediate Similarity | NPC129630 |
0.7765 | Intermediate Similarity | NPC477089 |
0.7711 | Intermediate Similarity | NPC190859 |
0.7701 | Intermediate Similarity | NPC471270 |
0.7684 | Intermediate Similarity | NPC472995 |
0.7674 | Intermediate Similarity | NPC476701 |
0.7667 | Intermediate Similarity | NPC255143 |
0.7654 | Intermediate Similarity | NPC329989 |
0.7654 | Intermediate Similarity | NPC239373 |
0.7634 | Intermediate Similarity | NPC114389 |
0.7614 | Intermediate Similarity | NPC259858 |
0.7614 | Intermediate Similarity | NPC477390 |
0.7614 | Intermediate Similarity | NPC477385 |
0.7609 | Intermediate Similarity | NPC115607 |
0.7609 | Intermediate Similarity | NPC49783 |
0.7604 | Intermediate Similarity | NPC261807 |
0.7586 | Intermediate Similarity | NPC95124 |
0.7586 | Intermediate Similarity | NPC471266 |
0.7579 | Intermediate Similarity | NPC469583 |
0.7531 | Intermediate Similarity | NPC305698 |
0.75 | Intermediate Similarity | NPC472997 |
0.75 | Intermediate Similarity | NPC474894 |
0.75 | Intermediate Similarity | NPC472996 |
0.7449 | Intermediate Similarity | NPC272223 |
0.7447 | Intermediate Similarity | NPC91251 |
0.7444 | Intermediate Similarity | NPC83702 |
0.7439 | Intermediate Similarity | NPC16964 |
0.7419 | Intermediate Similarity | NPC97103 |
0.7419 | Intermediate Similarity | NPC161560 |
0.7407 | Intermediate Similarity | NPC259299 |
0.7391 | Intermediate Similarity | NPC476948 |
0.7375 | Intermediate Similarity | NPC250836 |
0.7368 | Intermediate Similarity | NPC137461 |
0.7363 | Intermediate Similarity | NPC290731 |
0.7356 | Intermediate Similarity | NPC137345 |
0.7356 | Intermediate Similarity | NPC52755 |
0.7356 | Intermediate Similarity | NPC181838 |
0.7347 | Intermediate Similarity | NPC312325 |
0.734 | Intermediate Similarity | NPC197107 |
0.7333 | Intermediate Similarity | NPC320548 |
0.7333 | Intermediate Similarity | NPC471987 |
0.7333 | Intermediate Similarity | NPC231601 |
0.7326 | Intermediate Similarity | NPC329626 |
0.7326 | Intermediate Similarity | NPC256720 |
0.7326 | Intermediate Similarity | NPC293223 |
0.7326 | Intermediate Similarity | NPC236228 |
0.732 | Intermediate Similarity | NPC57664 |
0.732 | Intermediate Similarity | NPC72204 |
0.7303 | Intermediate Similarity | NPC246621 |
0.73 | Intermediate Similarity | NPC470972 |
0.7294 | Intermediate Similarity | NPC471525 |
0.7292 | Intermediate Similarity | NPC473258 |
0.7283 | Intermediate Similarity | NPC477389 |
0.7283 | Intermediate Similarity | NPC477387 |
0.7283 | Intermediate Similarity | NPC281316 |
0.7283 | Intermediate Similarity | NPC61527 |
0.7283 | Intermediate Similarity | NPC476217 |
0.7282 | Intermediate Similarity | NPC181994 |
0.7262 | Intermediate Similarity | NPC306085 |
0.7245 | Intermediate Similarity | NPC474994 |
0.7245 | Intermediate Similarity | NPC26307 |
0.7245 | Intermediate Similarity | NPC476040 |
0.7245 | Intermediate Similarity | NPC476021 |
0.7229 | Intermediate Similarity | NPC472947 |
0.7229 | Intermediate Similarity | NPC74722 |
0.7229 | Intermediate Similarity | NPC304690 |
0.7216 | Intermediate Similarity | NPC270013 |
0.7216 | Intermediate Similarity | NPC14961 |
0.7216 | Intermediate Similarity | NPC476720 |
0.7209 | Intermediate Similarity | NPC12696 |
0.7209 | Intermediate Similarity | NPC36479 |
0.7204 | Intermediate Similarity | NPC44538 |
0.7204 | Intermediate Similarity | NPC477386 |
0.7204 | Intermediate Similarity | NPC477388 |
0.72 | Intermediate Similarity | NPC476896 |
0.7196 | Intermediate Similarity | NPC80650 |
0.7196 | Intermediate Similarity | NPC73314 |
0.7195 | Intermediate Similarity | NPC82337 |
0.7188 | Intermediate Similarity | NPC310013 |
0.7182 | Intermediate Similarity | NPC475003 |
0.7174 | Intermediate Similarity | NPC471379 |
0.7174 | Intermediate Similarity | NPC196911 |
0.716 | Intermediate Similarity | NPC473722 |
0.7159 | Intermediate Similarity | NPC3852 |
0.7159 | Intermediate Similarity | NPC475980 |
0.7158 | Intermediate Similarity | NPC471378 |
0.7158 | Intermediate Similarity | NPC312471 |
0.7158 | Intermediate Similarity | NPC3952 |
0.7143 | Intermediate Similarity | NPC288970 |
0.7143 | Intermediate Similarity | NPC477978 |
0.7143 | Intermediate Similarity | NPC279722 |
0.7143 | Intermediate Similarity | NPC185605 |
0.7129 | Intermediate Similarity | NPC11956 |
0.7128 | Intermediate Similarity | NPC231784 |
0.7128 | Intermediate Similarity | NPC75443 |
0.7128 | Intermediate Similarity | NPC470260 |
0.7113 | Intermediate Similarity | NPC81386 |
0.7113 | Intermediate Similarity | NPC474035 |
0.7111 | Intermediate Similarity | NPC320525 |
0.71 | Intermediate Similarity | NPC475877 |
0.71 | Intermediate Similarity | NPC188968 |
0.71 | Intermediate Similarity | NPC79303 |
0.71 | Intermediate Similarity | NPC38855 |
0.7097 | Intermediate Similarity | NPC475684 |
0.7087 | Intermediate Similarity | NPC470980 |
0.7083 | Intermediate Similarity | NPC476705 |
0.7083 | Intermediate Similarity | NPC97404 |
0.7083 | Intermediate Similarity | NPC41554 |
0.7079 | Intermediate Similarity | NPC471537 |
0.7071 | Intermediate Similarity | NPC182811 |
0.7071 | Intermediate Similarity | NPC236176 |
0.7071 | Intermediate Similarity | NPC205143 |
0.7065 | Intermediate Similarity | NPC186155 |
0.7065 | Intermediate Similarity | NPC160517 |
0.7065 | Intermediate Similarity | NPC78673 |
0.7059 | Intermediate Similarity | NPC23584 |
0.7053 | Intermediate Similarity | NPC291875 |
0.7053 | Intermediate Similarity | NPC477917 |
0.7053 | Intermediate Similarity | NPC470361 |
0.7053 | Intermediate Similarity | NPC133450 |
0.7045 | Intermediate Similarity | NPC84360 |
0.7041 | Intermediate Similarity | NPC8774 |
0.7041 | Intermediate Similarity | NPC86893 |
0.7041 | Intermediate Similarity | NPC292178 |
0.7041 | Intermediate Similarity | NPC107476 |
0.703 | Intermediate Similarity | NPC472554 |
0.7021 | Intermediate Similarity | NPC189777 |
0.701 | Intermediate Similarity | NPC475912 |
0.701 | Intermediate Similarity | NPC212486 |
0.7 | Intermediate Similarity | NPC475068 |
0.7 | Intermediate Similarity | NPC152480 |
0.7 | Intermediate Similarity | NPC324772 |
0.7 | Intermediate Similarity | NPC476895 |
0.7 | Intermediate Similarity | NPC274458 |
0.699 | Remote Similarity | NPC194941 |
0.6989 | Remote Similarity | NPC471267 |
0.6988 | Remote Similarity | NPC73603 |
0.6988 | Remote Similarity | NPC163290 |
0.6981 | Remote Similarity | NPC177047 |
0.6979 | Remote Similarity | NPC470817 |
0.6979 | Remote Similarity | NPC329596 |
0.6979 | Remote Similarity | NPC209816 |
0.6979 | Remote Similarity | NPC204188 |
0.6979 | Remote Similarity | NPC80561 |
0.6979 | Remote Similarity | NPC470832 |
0.6979 | Remote Similarity | NPC177668 |
0.6979 | Remote Similarity | NPC11216 |
0.6979 | Remote Similarity | NPC3345 |
0.6979 | Remote Similarity | NPC477865 |
0.6979 | Remote Similarity | NPC291484 |
0.6979 | Remote Similarity | NPC477866 |
0.6972 | Remote Similarity | NPC179626 |
0.697 | Remote Similarity | NPC227583 |
0.697 | Remote Similarity | NPC12103 |
0.697 | Remote Similarity | NPC473333 |
0.697 | Remote Similarity | NPC476315 |
0.697 | Remote Similarity | NPC98457 |
0.697 | Remote Similarity | NPC90583 |
0.697 | Remote Similarity | NPC279621 |
0.6961 | Remote Similarity | NPC165578 |
0.6961 | Remote Similarity | NPC472552 |
0.6957 | Remote Similarity | NPC5958 |
0.6952 | Remote Similarity | NPC50124 |
0.6952 | Remote Similarity | NPC94377 |
0.6952 | Remote Similarity | NPC38948 |
0.6947 | Remote Similarity | NPC280556 |
0.6947 | Remote Similarity | NPC476724 |
0.6947 | Remote Similarity | NPC309656 |
0.6947 | Remote Similarity | NPC474668 |
0.6947 | Remote Similarity | NPC92370 |
0.6947 | Remote Similarity | NPC476723 |
0.6939 | Remote Similarity | NPC127718 |
0.6939 | Remote Similarity | NPC65402 |
0.6937 | Remote Similarity | NPC470186 |
0.6932 | Remote Similarity | NPC301525 |
0.6931 | Remote Similarity | NPC16601 |
0.6931 | Remote Similarity | NPC269713 |
0.6931 | Remote Similarity | NPC475053 |
0.6931 | Remote Similarity | NPC471242 |
0.6931 | Remote Similarity | NPC271295 |
0.6923 | Remote Similarity | NPC471206 |
0.6923 | Remote Similarity | NPC118116 |
0.6923 | Remote Similarity | NPC77003 |
0.6915 | Remote Similarity | NPC311163 |
0.6915 | Remote Similarity | NPC247826 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC298595 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 |
---|---|---|---|
0.7778 | Intermediate Similarity | NPD7524 | Approved |
0.7732 | Intermediate Similarity | NPD5344 | Discontinued |
0.7629 | Intermediate Similarity | NPD6648 | Approved |
0.7444 | Intermediate Similarity | NPD7338 | Clinical (unspecified phase) |
0.734 | Intermediate Similarity | NPD3168 | Discontinued |
0.7333 | Intermediate Similarity | NPD6695 | Phase 3 |
0.7158 | Intermediate Similarity | NPD7838 | Discovery |
0.7021 | Intermediate Similarity | NPD7750 | Discontinued |
0.7 | Intermediate Similarity | NPD6931 | Approved |
0.7 | Intermediate Similarity | NPD6930 | Phase 2 |
0.6889 | Remote Similarity | NPD6929 | Approved |
0.6813 | Remote Similarity | NPD7514 | Phase 3 |
0.6813 | Remote Similarity | NPD7332 | Phase 2 |
0.6804 | Remote Similarity | NPD46 | Approved |
0.6804 | Remote Similarity | NPD6698 | Approved |
0.6782 | Remote Similarity | NPD4732 | Discontinued |
0.6739 | Remote Similarity | NPD6902 | Approved |
0.6735 | Remote Similarity | NPD7983 | Approved |
0.6735 | Remote Similarity | NPD7087 | Discontinued |
0.6667 | Remote Similarity | NPD5776 | Phase 2 |
0.6667 | Remote Similarity | NPD6925 | Approved |
0.6635 | Remote Similarity | NPD3653 | Clinical (unspecified phase) |
0.6632 | Remote Similarity | NPD6893 | Approved |
0.6604 | Remote Similarity | NPD5357 | Phase 1 |
0.6593 | Remote Similarity | NPD7145 | Approved |
0.6574 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6559 | Remote Similarity | NPD6898 | Phase 1 |
0.6556 | Remote Similarity | NPD6933 | Approved |
0.6505 | Remote Similarity | NPD4225 | Approved |
0.6484 | Remote Similarity | NPD6932 | Approved |
0.64 | Remote Similarity | NPD7637 | Suspended |
0.6386 | Remote Similarity | NPD368 | Approved |
0.6346 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6344 | Remote Similarity | NPD6683 | Phase 2 |
0.6337 | Remote Similarity | NPD5779 | Approved |
0.6337 | Remote Similarity | NPD5778 | Approved |
0.6333 | Remote Similarity | NPD6924 | Approved |
0.6333 | Remote Similarity | NPD6926 | Approved |
0.6296 | Remote Similarity | NPD6640 | Phase 3 |
0.6277 | Remote Similarity | NPD7509 | Discontinued |
0.6237 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6235 | Remote Similarity | NPD371 | Approved |
0.6226 | Remote Similarity | NPD4159 | Approved |
0.6224 | Remote Similarity | NPD4249 | Approved |
0.6216 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6207 | Remote Similarity | NPD7516 | Approved |
0.618 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6162 | Remote Similarity | NPD4251 | Approved |
0.6162 | Remote Similarity | NPD4250 | Approved |
0.6161 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6121 | Remote Similarity | NPD7328 | Approved |
0.6121 | Remote Similarity | NPD7327 | Approved |
0.6105 | Remote Similarity | NPD7525 | Registered |
0.6102 | Remote Similarity | NPD8513 | Phase 3 |
0.6102 | Remote Similarity | NPD8515 | Approved |
0.6102 | Remote Similarity | NPD8516 | Approved |
0.6102 | Remote Similarity | NPD8517 | Approved |
0.6087 | Remote Similarity | NPD8264 | Approved |
0.6071 | Remote Similarity | NPD6371 | Approved |
0.6 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5981 | Remote Similarity | NPD7639 | Approved |
0.5981 | Remote Similarity | NPD7640 | Approved |
0.598 | Remote Similarity | NPD7136 | Phase 2 |
0.5966 | Remote Similarity | NPD7503 | Approved |
0.5962 | Remote Similarity | NPD5282 | Discontinued |
0.596 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD4819 | Approved |
0.5938 | Remote Similarity | NPD4821 | Approved |
0.5938 | Remote Similarity | NPD4820 | Approved |
0.5938 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD4822 | Approved |
0.5918 | Remote Similarity | NPD6110 | Phase 1 |
0.5918 | Remote Similarity | NPD7154 | Phase 3 |
0.5897 | Remote Similarity | NPD7115 | Discovery |
0.5893 | Remote Similarity | NPD6686 | Approved |
0.5889 | Remote Similarity | NPD6922 | Approved |
0.5889 | Remote Similarity | NPD6923 | Approved |
0.5888 | Remote Similarity | NPD7638 | Approved |
0.5854 | Remote Similarity | NPD342 | Phase 1 |
0.5854 | Remote Similarity | NPD8074 | Phase 3 |
0.5849 | Remote Similarity | NPD7839 | Suspended |
0.5833 | Remote Similarity | NPD8380 | Approved |
0.5833 | Remote Similarity | NPD8378 | Approved |
0.5833 | Remote Similarity | NPD7645 | Phase 2 |
0.5833 | Remote Similarity | NPD8379 | Approved |
0.5833 | Remote Similarity | NPD8033 | Approved |
0.5833 | Remote Similarity | NPD8296 | Approved |
0.5833 | Remote Similarity | NPD8335 | Approved |
0.5833 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5824 | Remote Similarity | NPD7144 | Approved |
0.5824 | Remote Similarity | NPD7143 | Approved |
0.5795 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5785 | Remote Similarity | NPD5125 | Phase 3 |
0.5785 | Remote Similarity | NPD5126 | Approved |
0.5772 | Remote Similarity | NPD8273 | Phase 1 |
0.5761 | Remote Similarity | NPD7150 | Approved |
0.5761 | Remote Similarity | NPD7151 | Approved |
0.5761 | Remote Similarity | NPD7152 | Approved |
0.5752 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.575 | Remote Similarity | NPD8294 | Approved |
0.575 | Remote Similarity | NPD8377 | Approved |
0.5729 | Remote Similarity | NPD4268 | Approved |
0.5729 | Remote Similarity | NPD4271 | Approved |
0.5728 | Remote Similarity | NPD1695 | Approved |
0.5728 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD6101 | Approved |
0.57 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD1145 | Discontinued |
0.5684 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5664 | Remote Similarity | NPD6412 | Phase 2 |
0.5644 | Remote Similarity | NPD1696 | Phase 3 |
0.562 | Remote Similarity | NPD7741 | Discontinued |
0.5619 | Remote Similarity | NPD6411 | Approved |
0.56 | Remote Similarity | NPD5362 | Discontinued |
PubChem CID   | 24850578 |
ChEMBL   | CHEMBL446931 |
ZINC   |
Molecular Weight:   | 280.17 |
ALogP:   | 1.0252 |
MLogP:   | 2.78 |
XLogP:   | 0.838 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 62.22 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 20 |