Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT91 | Cell Line | KB | Homo sapiens | ED50 | > | 4 | ug/ml | 25819098 |
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 NPC474913 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 |
---|---|---|
0.8704 | High Similarity | NPC269615 |
0.8679 | High Similarity | NPC106531 |
0.8596 | High Similarity | NPC474267 |
0.8596 | High Similarity | NPC222852 |
0.8571 | High Similarity | NPC471277 |
0.8571 | High Similarity | NPC472445 |
0.8571 | High Similarity | NPC471279 |
0.8448 | Intermediate Similarity | NPC299730 |
0.8246 | Intermediate Similarity | NPC44542 |
0.8246 | Intermediate Similarity | NPC265551 |
0.8246 | Intermediate Similarity | NPC212730 |
0.7931 | Intermediate Similarity | NPC474869 |
0.7833 | Intermediate Similarity | NPC471278 |
0.7736 | Intermediate Similarity | NPC197467 |
0.7705 | Intermediate Similarity | NPC66460 |
0.7705 | Intermediate Similarity | NPC271282 |
0.7705 | Intermediate Similarity | NPC325929 |
0.7656 | Intermediate Similarity | NPC225272 |
0.7647 | Intermediate Similarity | NPC57923 |
0.7581 | Intermediate Similarity | NPC29697 |
0.7547 | Intermediate Similarity | NPC47946 |
0.7547 | Intermediate Similarity | NPC26600 |
0.7541 | Intermediate Similarity | NPC26223 |
0.75 | Intermediate Similarity | NPC478096 |
0.75 | Intermediate Similarity | NPC146811 |
0.7455 | Intermediate Similarity | NPC135698 |
0.7419 | Intermediate Similarity | NPC26810 |
0.7419 | Intermediate Similarity | NPC55376 |
0.7377 | Intermediate Similarity | NPC478095 |
0.7321 | Intermediate Similarity | NPC291437 |
0.7321 | Intermediate Similarity | NPC328784 |
0.7302 | Intermediate Similarity | NPC474729 |
0.7302 | Intermediate Similarity | NPC44343 |
0.7302 | Intermediate Similarity | NPC179087 |
0.7302 | Intermediate Similarity | NPC210303 |
0.7302 | Intermediate Similarity | NPC474723 |
0.7258 | Intermediate Similarity | NPC477424 |
0.7213 | Intermediate Similarity | NPC469373 |
0.7188 | Intermediate Similarity | NPC148233 |
0.7188 | Intermediate Similarity | NPC308457 |
0.7188 | Intermediate Similarity | NPC25747 |
0.7143 | Intermediate Similarity | NPC15912 |
0.7119 | Intermediate Similarity | NPC478120 |
0.7097 | Intermediate Similarity | NPC22897 |
0.7097 | Intermediate Similarity | NPC97570 |
0.7097 | Intermediate Similarity | NPC329249 |
0.7097 | Intermediate Similarity | NPC322186 |
0.7097 | Intermediate Similarity | NPC159650 |
0.7091 | Intermediate Similarity | NPC128280 |
0.7077 | Intermediate Similarity | NPC478099 |
0.7077 | Intermediate Similarity | NPC182794 |
0.7077 | Intermediate Similarity | NPC478098 |
0.7059 | Intermediate Similarity | NPC476012 |
0.7059 | Intermediate Similarity | NPC476037 |
0.7049 | Intermediate Similarity | NPC48968 |
0.7049 | Intermediate Similarity | NPC594 |
0.7049 | Intermediate Similarity | NPC294938 |
0.7049 | Intermediate Similarity | NPC129150 |
0.7031 | Intermediate Similarity | NPC473737 |
0.7018 | Intermediate Similarity | NPC236338 |
0.7018 | Intermediate Similarity | NPC275316 |
0.7018 | Intermediate Similarity | NPC27264 |
0.7 | Intermediate Similarity | NPC146551 |
0.7 | Intermediate Similarity | NPC470963 |
0.7 | Intermediate Similarity | NPC152668 |
0.7 | Intermediate Similarity | NPC474513 |
0.6984 | Remote Similarity | NPC328311 |
0.6984 | Remote Similarity | NPC79756 |
0.697 | Remote Similarity | NPC124586 |
0.697 | Remote Similarity | NPC478101 |
0.6957 | Remote Similarity | NPC316185 |
0.6957 | Remote Similarity | NPC293114 |
0.6949 | Remote Similarity | NPC477781 |
0.6949 | Remote Similarity | NPC477780 |
0.6935 | Remote Similarity | NPC223679 |
0.6935 | Remote Similarity | NPC254095 |
0.6909 | Remote Similarity | NPC270706 |
0.6897 | Remote Similarity | NPC148056 |
0.6897 | Remote Similarity | NPC59408 |
0.6897 | Remote Similarity | NPC71053 |
0.6885 | Remote Similarity | NPC245002 |
0.6885 | Remote Similarity | NPC324224 |
0.6885 | Remote Similarity | NPC311648 |
0.6885 | Remote Similarity | NPC470964 |
0.6885 | Remote Similarity | NPC86948 |
0.6885 | Remote Similarity | NPC221763 |
0.6885 | Remote Similarity | NPC472808 |
0.6875 | Remote Similarity | NPC475984 |
0.6875 | Remote Similarity | NPC151648 |
0.6875 | Remote Similarity | NPC15193 |
0.6866 | Remote Similarity | NPC478097 |
0.6866 | Remote Similarity | NPC478100 |
0.6857 | Remote Similarity | NPC284006 |
0.6857 | Remote Similarity | NPC329914 |
0.6857 | Remote Similarity | NPC329890 |
0.6842 | Remote Similarity | NPC207815 |
0.6842 | Remote Similarity | NPC302310 |
0.6833 | Remote Similarity | NPC151761 |
0.6833 | Remote Similarity | NPC110732 |
0.6833 | Remote Similarity | NPC159535 |
0.6825 | Remote Similarity | NPC82465 |
0.6825 | Remote Similarity | NPC322002 |
0.6825 | Remote Similarity | NPC318306 |
0.6825 | Remote Similarity | NPC286189 |
0.6818 | Remote Similarity | NPC96414 |
0.6818 | Remote Similarity | NPC19769 |
0.6818 | Remote Similarity | NPC282760 |
0.6818 | Remote Similarity | NPC220766 |
0.6812 | Remote Similarity | NPC59558 |
0.6812 | Remote Similarity | NPC473361 |
0.6812 | Remote Similarity | NPC329904 |
0.678 | Remote Similarity | NPC142092 |
0.678 | Remote Similarity | NPC151919 |
0.6774 | Remote Similarity | NPC193975 |
0.6774 | Remote Similarity | NPC293437 |
0.6774 | Remote Similarity | NPC223804 |
0.6774 | Remote Similarity | NPC135863 |
0.6774 | Remote Similarity | NPC249850 |
0.6769 | Remote Similarity | NPC470965 |
0.6769 | Remote Similarity | NPC217940 |
0.6769 | Remote Similarity | NPC474774 |
0.6765 | Remote Similarity | NPC474823 |
0.6765 | Remote Similarity | NPC475760 |
0.6765 | Remote Similarity | NPC63873 |
0.6765 | Remote Similarity | NPC477117 |
0.6761 | Remote Similarity | NPC107654 |
0.6761 | Remote Similarity | NPC315843 |
0.6761 | Remote Similarity | NPC470686 |
0.6727 | Remote Similarity | NPC12907 |
0.6724 | Remote Similarity | NPC15789 |
0.6721 | Remote Similarity | NPC478117 |
0.6719 | Remote Similarity | NPC327112 |
0.6719 | Remote Similarity | NPC19241 |
0.6716 | Remote Similarity | NPC201356 |
0.6716 | Remote Similarity | NPC248125 |
0.6716 | Remote Similarity | NPC191233 |
0.6716 | Remote Similarity | NPC284447 |
0.6714 | Remote Similarity | NPC186531 |
0.6667 | Remote Similarity | NPC151481 |
0.6667 | Remote Similarity | NPC284224 |
0.6667 | Remote Similarity | NPC21946 |
0.6667 | Remote Similarity | NPC476658 |
0.6667 | Remote Similarity | NPC475004 |
0.6667 | Remote Similarity | NPC61177 |
0.6667 | Remote Similarity | NPC470693 |
0.6667 | Remote Similarity | NPC226066 |
0.6667 | Remote Similarity | NPC477456 |
0.6667 | Remote Similarity | NPC470808 |
0.6667 | Remote Similarity | NPC477457 |
0.6667 | Remote Similarity | NPC260396 |
0.6618 | Remote Similarity | NPC194871 |
0.6618 | Remote Similarity | NPC122627 |
0.6618 | Remote Similarity | NPC203335 |
0.6613 | Remote Similarity | NPC327388 |
0.6613 | Remote Similarity | NPC96663 |
0.6613 | Remote Similarity | NPC150717 |
0.661 | Remote Similarity | NPC151782 |
0.6604 | Remote Similarity | NPC123357 |
0.6575 | Remote Similarity | NPC188860 |
0.6567 | Remote Similarity | NPC476655 |
0.6567 | Remote Similarity | NPC471566 |
0.6567 | Remote Similarity | NPC318420 |
0.6567 | Remote Similarity | NPC476654 |
0.6567 | Remote Similarity | NPC320642 |
0.6567 | Remote Similarity | NPC471565 |
0.6567 | Remote Similarity | NPC133904 |
0.6567 | Remote Similarity | NPC476657 |
0.6567 | Remote Similarity | NPC326268 |
0.6567 | Remote Similarity | NPC131174 |
0.6562 | Remote Similarity | NPC474588 |
0.6562 | Remote Similarity | NPC329424 |
0.6562 | Remote Similarity | NPC474711 |
0.6562 | Remote Similarity | NPC133600 |
0.6557 | Remote Similarity | NPC300121 |
0.6557 | Remote Similarity | NPC9611 |
0.6557 | Remote Similarity | NPC151923 |
0.6552 | Remote Similarity | NPC82446 |
0.6552 | Remote Similarity | NPC248884 |
0.6552 | Remote Similarity | NPC31194 |
0.6552 | Remote Similarity | NPC153538 |
0.6552 | Remote Similarity | NPC85079 |
0.6552 | Remote Similarity | NPC91765 |
0.6538 | Remote Similarity | NPC226511 |
0.6528 | Remote Similarity | NPC92558 |
0.6522 | Remote Similarity | NPC218477 |
0.6522 | Remote Similarity | NPC238223 |
0.6515 | Remote Similarity | NPC2328 |
0.6515 | Remote Similarity | NPC68110 |
0.6508 | Remote Similarity | NPC323498 |
0.6508 | Remote Similarity | NPC211752 |
0.6508 | Remote Similarity | NPC323597 |
0.6491 | Remote Similarity | NPC180575 |
0.6491 | Remote Similarity | NPC124183 |
0.6491 | Remote Similarity | NPC35141 |
0.6486 | Remote Similarity | NPC233071 |
0.6479 | Remote Similarity | NPC475762 |
0.6471 | Remote Similarity | NPC37382 |
0.6471 | Remote Similarity | NPC476659 |
0.6471 | Remote Similarity | NPC476656 |
0.6471 | Remote Similarity | NPC276299 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC474913 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 |
---|---|---|---|
0.75 | Intermediate Similarity | NPD6927 | Phase 3 |
0.7037 | Intermediate Similarity | NPD6097 | Approved |
0.7037 | Intermediate Similarity | NPD6096 | Approved |
0.6964 | Remote Similarity | NPD5343 | Approved |
0.6719 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6567 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6552 | Remote Similarity | NPD4220 | Pre-registration |
0.6406 | Remote Similarity | NPD6109 | Phase 1 |
0.6377 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD5209 | Approved |
0.6034 | Remote Similarity | NPD4222 | Approved |
0.6034 | Remote Similarity | NPD3174 | Discontinued |
0.6034 | Remote Similarity | NPD39 | Approved |
0.6 | Remote Similarity | NPD8039 | Approved |
0.5965 | Remote Similarity | NPD5326 | Phase 3 |
0.5902 | Remote Similarity | NPD2268 | Discontinued |
0.5854 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD9115 | Approved |
0.5738 | Remote Similarity | NPD3173 | Approved |
PubChem CID   | 44559587 |
ChEMBL   | CHEMBL487400 |
ZINC   |
Molecular Weight:   | 342.18 |
ALogP:   | 1.6327 |
MLogP:   | 3.33 |
XLogP:   | 5.219 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 52.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 25 |