Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 0.4 | ug/ml | 26226070 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 3.61 | ug/ml | 18341287 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 3.41 | ug/ml | 23993676 |
NPT139 | Cell Line | HT-29 | Homo sapiens | ED50 | = | 2.72 | ug/ml | 17844994 |
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 NPC223604 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 |
---|---|---|
0.8644 | High Similarity | NPC140233 |
0.8644 | High Similarity | NPC287744 |
0.8519 | High Similarity | NPC165755 |
0.8448 | Intermediate Similarity | NPC127824 |
0.8276 | Intermediate Similarity | NPC83838 |
0.8276 | Intermediate Similarity | NPC143810 |
0.8226 | Intermediate Similarity | NPC259299 |
0.8095 | Intermediate Similarity | NPC305698 |
0.7969 | Intermediate Similarity | NPC269841 |
0.7969 | Intermediate Similarity | NPC329656 |
0.7969 | Intermediate Similarity | NPC329989 |
0.7969 | Intermediate Similarity | NPC239373 |
0.7869 | Intermediate Similarity | NPC283247 |
0.7846 | Intermediate Similarity | NPC475310 |
0.7759 | Intermediate Similarity | NPC210316 |
0.7727 | Intermediate Similarity | NPC477084 |
0.7692 | Intermediate Similarity | NPC74722 |
0.7692 | Intermediate Similarity | NPC477449 |
0.7692 | Intermediate Similarity | NPC304690 |
0.7692 | Intermediate Similarity | NPC477448 |
0.7667 | Intermediate Similarity | NPC122239 |
0.7636 | Intermediate Similarity | NPC329773 |
0.7627 | Intermediate Similarity | NPC7491 |
0.7627 | Intermediate Similarity | NPC13789 |
0.7627 | Intermediate Similarity | NPC27853 |
0.7627 | Intermediate Similarity | NPC101285 |
0.7627 | Intermediate Similarity | NPC65786 |
0.7612 | Intermediate Similarity | NPC329763 |
0.7612 | Intermediate Similarity | NPC476709 |
0.75 | Intermediate Similarity | NPC471525 |
0.7424 | Intermediate Similarity | NPC261398 |
0.7419 | Intermediate Similarity | NPC228574 |
0.7419 | Intermediate Similarity | NPC294304 |
0.7419 | Intermediate Similarity | NPC475251 |
0.7385 | Intermediate Similarity | NPC472266 |
0.7377 | Intermediate Similarity | NPC475931 |
0.7353 | Intermediate Similarity | NPC92909 |
0.7353 | Intermediate Similarity | NPC107783 |
0.7344 | Intermediate Similarity | NPC308844 |
0.7333 | Intermediate Similarity | NPC52012 |
0.7313 | Intermediate Similarity | NPC129630 |
0.7302 | Intermediate Similarity | NPC217940 |
0.7302 | Intermediate Similarity | NPC279200 |
0.7288 | Intermediate Similarity | NPC281590 |
0.7286 | Intermediate Similarity | NPC301525 |
0.7286 | Intermediate Similarity | NPC271070 |
0.7273 | Intermediate Similarity | NPC276290 |
0.7246 | Intermediate Similarity | NPC469691 |
0.7246 | Intermediate Similarity | NPC167049 |
0.7213 | Intermediate Similarity | NPC226848 |
0.7188 | Intermediate Similarity | NPC309300 |
0.7188 | Intermediate Similarity | NPC225415 |
0.7188 | Intermediate Similarity | NPC290367 |
0.7183 | Intermediate Similarity | NPC84360 |
0.7183 | Intermediate Similarity | NPC476703 |
0.7183 | Intermediate Similarity | NPC186109 |
0.7164 | Intermediate Similarity | NPC22301 |
0.7164 | Intermediate Similarity | NPC16964 |
0.7164 | Intermediate Similarity | NPC101622 |
0.7143 | Intermediate Similarity | NPC469678 |
0.7143 | Intermediate Similarity | NPC274704 |
0.7143 | Intermediate Similarity | NPC475861 |
0.7143 | Intermediate Similarity | NPC469669 |
0.7143 | Intermediate Similarity | NPC475771 |
0.7143 | Intermediate Similarity | NPC93213 |
0.7121 | Intermediate Similarity | NPC472255 |
0.7121 | Intermediate Similarity | NPC472253 |
0.7097 | Intermediate Similarity | NPC5698 |
0.7083 | Intermediate Similarity | NPC474005 |
0.7083 | Intermediate Similarity | NPC477089 |
0.7077 | Intermediate Similarity | NPC238352 |
0.7077 | Intermediate Similarity | NPC477009 |
0.7069 | Intermediate Similarity | NPC179169 |
0.7069 | Intermediate Similarity | NPC157781 |
0.7069 | Intermediate Similarity | NPC306195 |
0.7069 | Intermediate Similarity | NPC181255 |
0.7069 | Intermediate Similarity | NPC35519 |
0.7059 | Intermediate Similarity | NPC4299 |
0.7042 | Intermediate Similarity | NPC226242 |
0.7042 | Intermediate Similarity | NPC268111 |
0.7031 | Intermediate Similarity | NPC50435 |
0.7018 | Intermediate Similarity | NPC289388 |
0.7018 | Intermediate Similarity | NPC142103 |
0.7018 | Intermediate Similarity | NPC182102 |
0.7018 | Intermediate Similarity | NPC26960 |
0.7015 | Intermediate Similarity | NPC224532 |
0.7015 | Intermediate Similarity | NPC272961 |
0.7 | Intermediate Similarity | NPC474551 |
0.7 | Intermediate Similarity | NPC190859 |
0.6986 | Remote Similarity | NPC471537 |
0.6984 | Remote Similarity | NPC240506 |
0.6984 | Remote Similarity | NPC323153 |
0.6984 | Remote Similarity | NPC252809 |
0.697 | Remote Similarity | NPC327815 |
0.697 | Remote Similarity | NPC272125 |
0.6957 | Remote Similarity | NPC306085 |
0.6935 | Remote Similarity | NPC475830 |
0.6935 | Remote Similarity | NPC181872 |
0.6923 | Remote Similarity | NPC300593 |
0.6909 | Remote Similarity | NPC210560 |
0.6909 | Remote Similarity | NPC165651 |
0.6909 | Remote Similarity | NPC87439 |
0.6909 | Remote Similarity | NPC24824 |
0.6901 | Remote Similarity | NPC12696 |
0.6901 | Remote Similarity | NPC113639 |
0.6897 | Remote Similarity | NPC214584 |
0.6897 | Remote Similarity | NPC244452 |
0.6897 | Remote Similarity | NPC26906 |
0.6892 | Remote Similarity | NPC474739 |
0.6885 | Remote Similarity | NPC141699 |
0.6885 | Remote Similarity | NPC96663 |
0.6875 | Remote Similarity | NPC64971 |
0.6875 | Remote Similarity | NPC225342 |
0.6875 | Remote Similarity | NPC210346 |
0.6866 | Remote Similarity | NPC114651 |
0.6866 | Remote Similarity | NPC193029 |
0.6866 | Remote Similarity | NPC474477 |
0.6866 | Remote Similarity | NPC73603 |
0.6866 | Remote Similarity | NPC473357 |
0.6857 | Remote Similarity | NPC474543 |
0.6857 | Remote Similarity | NPC238425 |
0.6857 | Remote Similarity | NPC472018 |
0.6849 | Remote Similarity | NPC474056 |
0.6849 | Remote Similarity | NPC474341 |
0.6842 | Remote Similarity | NPC234597 |
0.6825 | Remote Similarity | NPC278202 |
0.6818 | Remote Similarity | NPC19569 |
0.6818 | Remote Similarity | NPC471200 |
0.6818 | Remote Similarity | NPC61503 |
0.6812 | Remote Similarity | NPC470041 |
0.6812 | Remote Similarity | NPC64234 |
0.6812 | Remote Similarity | NPC37929 |
0.6812 | Remote Similarity | NPC469660 |
0.6806 | Remote Similarity | NPC170148 |
0.6806 | Remote Similarity | NPC256720 |
0.6806 | Remote Similarity | NPC236228 |
0.68 | Remote Similarity | NPC475481 |
0.68 | Remote Similarity | NPC474894 |
0.68 | Remote Similarity | NPC79277 |
0.678 | Remote Similarity | NPC170167 |
0.678 | Remote Similarity | NPC294358 |
0.678 | Remote Similarity | NPC40417 |
0.6774 | Remote Similarity | NPC278550 |
0.6774 | Remote Similarity | NPC165808 |
0.6769 | Remote Similarity | NPC474155 |
0.6769 | Remote Similarity | NPC474480 |
0.6769 | Remote Similarity | NPC473508 |
0.6769 | Remote Similarity | NPC473759 |
0.6765 | Remote Similarity | NPC470040 |
0.6765 | Remote Similarity | NPC476945 |
0.6765 | Remote Similarity | NPC208999 |
0.6761 | Remote Similarity | NPC144995 |
0.6761 | Remote Similarity | NPC227814 |
0.6757 | Remote Similarity | NPC471740 |
0.6757 | Remote Similarity | NPC617 |
0.6757 | Remote Similarity | NPC325869 |
0.6724 | Remote Similarity | NPC131623 |
0.6721 | Remote Similarity | NPC329686 |
0.6721 | Remote Similarity | NPC227135 |
0.6719 | Remote Similarity | NPC99487 |
0.6719 | Remote Similarity | NPC471081 |
0.6719 | Remote Similarity | NPC469694 |
0.6719 | Remote Similarity | NPC66020 |
0.6716 | Remote Similarity | NPC469328 |
0.6716 | Remote Similarity | NPC267027 |
0.6714 | Remote Similarity | NPC167706 |
0.6714 | Remote Similarity | NPC471662 |
0.6714 | Remote Similarity | NPC472254 |
0.6712 | Remote Similarity | NPC470751 |
0.6712 | Remote Similarity | NPC476439 |
0.6712 | Remote Similarity | NPC40049 |
0.6712 | Remote Similarity | NPC477427 |
0.6712 | Remote Similarity | NPC477426 |
0.6712 | Remote Similarity | NPC471454 |
0.6712 | Remote Similarity | NPC474826 |
0.6712 | Remote Similarity | NPC470750 |
0.6712 | Remote Similarity | NPC477425 |
0.6667 | Remote Similarity | NPC474496 |
0.6667 | Remote Similarity | NPC232812 |
0.6667 | Remote Similarity | NPC240206 |
0.6667 | Remote Similarity | NPC155025 |
0.6667 | Remote Similarity | NPC23418 |
0.6667 | Remote Similarity | NPC469723 |
0.6667 | Remote Similarity | NPC324762 |
0.6667 | Remote Similarity | NPC296522 |
0.6667 | Remote Similarity | NPC144511 |
0.6667 | Remote Similarity | NPC34883 |
0.6623 | Remote Similarity | NPC475842 |
0.6623 | Remote Similarity | NPC170377 |
0.6623 | Remote Similarity | NPC108045 |
0.6623 | Remote Similarity | NPC475622 |
0.6623 | Remote Similarity | NPC475989 |
0.6622 | Remote Similarity | NPC207186 |
0.6622 | Remote Similarity | NPC476314 |
0.662 | Remote Similarity | NPC167145 |
0.662 | Remote Similarity | NPC470237 |
0.662 | Remote Similarity | NPC477085 |
0.6618 | Remote Similarity | NPC161612 |
0.6618 | Remote Similarity | NPC33583 |
0.6615 | Remote Similarity | NPC149682 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC223604 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 |
---|---|---|---|
0.7619 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.6615 | Remote Similarity | NPD368 | Approved |
0.6528 | Remote Similarity | NPD6924 | Approved |
0.6528 | Remote Similarity | NPD6926 | Approved |
0.6462 | Remote Similarity | NPD1145 | Discontinued |
0.6452 | Remote Similarity | NPD342 | Phase 1 |
0.6429 | Remote Similarity | NPD6922 | Approved |
0.6429 | Remote Similarity | NPD6923 | Approved |
0.6351 | Remote Similarity | NPD6933 | Approved |
0.6338 | Remote Similarity | NPD7143 | Approved |
0.6338 | Remote Similarity | NPD7144 | Approved |
0.625 | Remote Similarity | NPD7152 | Approved |
0.625 | Remote Similarity | NPD7150 | Approved |
0.625 | Remote Similarity | NPD7151 | Approved |
0.6232 | Remote Similarity | NPD7331 | Phase 2 |
0.6216 | Remote Similarity | NPD7339 | Approved |
0.6216 | Remote Similarity | NPD6942 | Approved |
0.6203 | Remote Similarity | NPD6695 | Phase 3 |
0.6125 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6104 | Remote Similarity | NPD7645 | Phase 2 |
0.6053 | Remote Similarity | NPD6932 | Approved |
0.6049 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6027 | Remote Similarity | NPD4243 | Approved |
0.6026 | Remote Similarity | NPD6930 | Phase 2 |
0.6026 | Remote Similarity | NPD7525 | Registered |
0.6026 | Remote Similarity | NPD6931 | Approved |
0.6026 | Remote Similarity | NPD7509 | Discontinued |
0.6 | Remote Similarity | NPD8264 | Approved |
0.6 | Remote Similarity | NPD7154 | Phase 3 |
0.6 | Remote Similarity | NPD8039 | Approved |
0.5974 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5949 | Remote Similarity | NPD5369 | Approved |
0.5942 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5904 | Remote Similarity | NPD7750 | Discontinued |
0.5904 | Remote Similarity | NPD7524 | Approved |
0.5897 | Remote Similarity | NPD6683 | Phase 2 |
0.5897 | Remote Similarity | NPD6929 | Approved |
0.5882 | Remote Similarity | NPD6698 | Approved |
0.5882 | Remote Similarity | NPD46 | Approved |
0.5882 | Remote Similarity | NPD3168 | Discontinued |
0.5882 | Remote Similarity | NPD7838 | Discovery |
0.5875 | Remote Similarity | NPD6435 | Approved |
0.5867 | Remote Similarity | NPD4785 | Approved |
0.5867 | Remote Similarity | NPD4784 | Approved |
0.5857 | Remote Similarity | NPD7341 | Phase 2 |
0.5854 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5846 | Remote Similarity | NPD4219 | Approved |
0.5844 | Remote Similarity | NPD5776 | Phase 2 |
0.5844 | Remote Similarity | NPD6925 | Approved |
0.5823 | Remote Similarity | NPD4821 | Approved |
0.5823 | Remote Similarity | NPD7332 | Phase 2 |
0.5823 | Remote Similarity | NPD7514 | Phase 3 |
0.5823 | Remote Similarity | NPD4819 | Approved |
0.5823 | Remote Similarity | NPD4822 | Approved |
0.5823 | Remote Similarity | NPD4820 | Approved |
0.5823 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD5362 | Discontinued |
0.5783 | Remote Similarity | NPD7521 | Approved |
0.5783 | Remote Similarity | NPD6684 | Approved |
0.5783 | Remote Similarity | NPD6409 | Approved |
0.5783 | Remote Similarity | NPD5330 | Approved |
0.5783 | Remote Similarity | NPD7146 | Approved |
0.5783 | Remote Similarity | NPD7334 | Approved |
0.5769 | Remote Similarity | NPD7145 | Approved |
0.5765 | Remote Similarity | NPD1695 | Approved |
0.5765 | Remote Similarity | NPD6051 | Approved |
0.5763 | Remote Similarity | NPD4265 | Approved |
0.575 | Remote Similarity | NPD6898 | Phase 1 |
0.575 | Remote Similarity | NPD6902 | Approved |
0.5741 | Remote Similarity | NPD319 | Phase 1 |
0.5714 | Remote Similarity | NPD1460 | Approved |
0.5679 | Remote Similarity | NPD5209 | Approved |
0.5663 | Remote Similarity | NPD6893 | Approved |
0.5647 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5647 | Remote Similarity | NPD6903 | Approved |
0.5632 | Remote Similarity | NPD7087 | Discontinued |
0.5625 | Remote Similarity | NPD5368 | Approved |
0.561 | Remote Similarity | NPD5331 | Approved |
0.561 | Remote Similarity | NPD5332 | Approved |
PubChem CID   | 10859180 |
ChEMBL   | CHEMBL510525 |
ZINC   |
Molecular Weight:   | 288.25 |
ALogP:   | 4.0291 |
MLogP:   | 3.55 |
XLogP:   | 5.936 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 12.53 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 21 |