Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT3098 | Individual Protein | Chitinase | Aspergillus fumigatus | IC50 | = | 127000 | nM | 21044846 |
NPT3099 | Individual Protein | Endochitinase | Saccharomyces cerevisiae S288c | Ki | = | 610 | nM | 21044846 |
NPT3100 | Individual Protein | Acidic mammalian chitinase | Homo sapiens | IC50 | = | 40 | nM | 21044846 |
NPT2 | Others | Unspecified | IC50 | = | 5400 | nM | 21530272 | |
NPT3501 | Individual Protein | Chitinase B | Serratia marcescens | IC50 | = | 90 | nM | 26030312 |
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 NPC59589 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 |
---|---|---|
0.7476 | Intermediate Similarity | NPC470284 |
0.7347 | Intermediate Similarity | NPC316807 |
0.713 | Intermediate Similarity | NPC470283 |
0.6789 | Remote Similarity | NPC208537 |
0.6789 | Remote Similarity | NPC270005 |
0.6762 | Remote Similarity | NPC476523 |
0.6733 | Remote Similarity | NPC314772 |
0.6733 | Remote Similarity | NPC314968 |
0.6729 | Remote Similarity | NPC470282 |
0.6538 | Remote Similarity | NPC471420 |
0.6531 | Remote Similarity | NPC223174 |
0.6531 | Remote Similarity | NPC327486 |
0.6531 | Remote Similarity | NPC327753 |
0.646 | Remote Similarity | NPC330590 |
0.6452 | Remote Similarity | NPC313813 |
0.6446 | Remote Similarity | NPC121479 |
0.6446 | Remote Similarity | NPC57436 |
0.6442 | Remote Similarity | NPC318258 |
0.6441 | Remote Similarity | NPC189854 |
0.6441 | Remote Similarity | NPC62845 |
0.6441 | Remote Similarity | NPC92874 |
0.6441 | Remote Similarity | NPC166242 |
0.6441 | Remote Similarity | NPC322449 |
0.6387 | Remote Similarity | NPC325900 |
0.6387 | Remote Similarity | NPC10897 |
0.6356 | Remote Similarity | NPC314398 |
0.6356 | Remote Similarity | NPC314413 |
0.6356 | Remote Similarity | NPC239705 |
0.6346 | Remote Similarity | NPC150557 |
0.6239 | Remote Similarity | NPC471628 |
0.6239 | Remote Similarity | NPC56298 |
0.6182 | Remote Similarity | NPC306838 |
0.6161 | Remote Similarity | NPC195969 |
0.6161 | Remote Similarity | NPC176381 |
0.6126 | Remote Similarity | NPC43850 |
0.6126 | Remote Similarity | NPC314007 |
0.6126 | Remote Similarity | NPC477060 |
0.6126 | Remote Similarity | NPC214376 |
0.6126 | Remote Similarity | NPC314408 |
0.6126 | Remote Similarity | NPC123746 |
0.6121 | Remote Similarity | NPC313821 |
0.6121 | Remote Similarity | NPC189629 |
0.6116 | Remote Similarity | NPC475918 |
0.6102 | Remote Similarity | NPC225978 |
0.6102 | Remote Similarity | NPC271207 |
0.6102 | Remote Similarity | NPC255175 |
0.6102 | Remote Similarity | NPC206711 |
0.6053 | Remote Similarity | NPC328646 |
0.605 | Remote Similarity | NPC188453 |
0.605 | Remote Similarity | NPC42320 |
0.6036 | Remote Similarity | NPC313552 |
0.6 | Remote Similarity | NPC477198 |
0.6 | Remote Similarity | NPC315334 |
0.5981 | Remote Similarity | NPC70574 |
0.5966 | Remote Similarity | NPC315036 |
0.5935 | Remote Similarity | NPC317534 |
0.5909 | Remote Similarity | NPC94319 |
0.5888 | Remote Similarity | NPC98750 |
0.5882 | Remote Similarity | NPC476967 |
0.5872 | Remote Similarity | NPC271772 |
0.5872 | Remote Similarity | NPC36927 |
0.5859 | Remote Similarity | NPC259586 |
0.5842 | Remote Similarity | NPC316445 |
0.5833 | Remote Similarity | NPC83248 |
0.5833 | Remote Similarity | NPC100204 |
0.5818 | Remote Similarity | NPC165119 |
0.5818 | Remote Similarity | NPC263058 |
0.5814 | Remote Similarity | NPC470621 |
0.5814 | Remote Similarity | NPC222481 |
0.5789 | Remote Similarity | NPC469943 |
0.5776 | Remote Similarity | NPC475603 |
0.5776 | Remote Similarity | NPC61894 |
0.5758 | Remote Similarity | NPC305261 |
0.5738 | Remote Similarity | NPC227622 |
0.5727 | Remote Similarity | NPC315969 |
0.5701 | Remote Similarity | NPC279575 |
0.5688 | Remote Similarity | NPC170595 |
0.5643 | Remote Similarity | NPC262050 |
0.562 | Remote Similarity | NPC474952 |
0.561 | Remote Similarity | NPC314387 |
0.5603 | Remote Similarity | NPC477072 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC59589 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 |
---|---|---|---|
0.6733 | Remote Similarity | NPD9434 | Approved |
0.6733 | Remote Similarity | NPD9435 | Approved |
0.6667 | Remote Similarity | NPD5376 | Approved |
0.6549 | Remote Similarity | NPD6428 | Approved |
0.6531 | Remote Similarity | NPD9445 | Approved |
0.646 | Remote Similarity | NPD5377 | Approved |
0.646 | Remote Similarity | NPD5378 | Approved |
0.646 | Remote Similarity | NPD5381 | Approved |
0.6446 | Remote Similarity | NPD4833 | Approved |
0.6446 | Remote Similarity | NPD35 | Approved |
0.6422 | Remote Similarity | NPD4759 | Clinical (unspecified phase) |
0.6417 | Remote Similarity | NPD8174 | Phase 2 |
0.6356 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.6348 | Remote Similarity | NPD4282 | Approved |
0.6306 | Remote Similarity | NPD3716 | Discontinued |
0.6239 | Remote Similarity | NPD4835 | Approved |
0.6239 | Remote Similarity | NPD4837 | Approved |
0.6239 | Remote Similarity | NPD4836 | Approved |
0.6239 | Remote Similarity | NPD4838 | Approved |
0.6198 | Remote Similarity | NPD8307 | Discontinued |
0.6161 | Remote Similarity | NPD5794 | Approved |
0.6161 | Remote Similarity | NPD5795 | Approved |
0.6161 | Remote Similarity | NPD5796 | Clinical (unspecified phase) |
0.6161 | Remote Similarity | NPD5797 | Approved |
0.6161 | Remote Similarity | NPD5798 | Approved |
0.6147 | Remote Similarity | NPD361 | Discontinued |
0.614 | Remote Similarity | NPD1447 | Phase 3 |
0.614 | Remote Similarity | NPD1446 | Phase 3 |
0.6134 | Remote Similarity | NPD7139 | Approved |
0.6134 | Remote Similarity | NPD7140 | Approved |
0.6134 | Remote Similarity | NPD7141 | Clinical (unspecified phase) |
0.6126 | Remote Similarity | NPD3202 | Approved |
0.6126 | Remote Similarity | NPD3207 | Approved |
0.6126 | Remote Similarity | NPD3201 | Approved |
0.6126 | Remote Similarity | NPD3203 | Approved |
0.6126 | Remote Similarity | NPD3209 | Approved |
0.6126 | Remote Similarity | NPD2698 | Approved |
0.6126 | Remote Similarity | NPD3208 | Approved |
0.6121 | Remote Similarity | NPD3189 | Approved |
0.6121 | Remote Similarity | NPD3190 | Approved |
0.6121 | Remote Similarity | NPD3191 | Approved |
0.6066 | Remote Similarity | NPD8140 | Approved |
0.6048 | Remote Similarity | NPD8087 | Discontinued |
0.6036 | Remote Similarity | NPD3200 | Clinical (unspecified phase) |
0.6034 | Remote Similarity | NPD7844 | Discontinued |
0.6017 | Remote Similarity | NPD2255 | Approved |
0.5968 | Remote Similarity | NPD8306 | Approved |
0.5968 | Remote Similarity | NPD6941 | Approved |
0.5968 | Remote Similarity | NPD8305 | Approved |
0.5909 | Remote Similarity | NPD4828 | Approved |
0.5909 | Remote Similarity | NPD4827 | Approved |
0.5909 | Remote Similarity | NPD4826 | Approved |
0.5878 | Remote Similarity | NPD8346 | Approved |
0.5878 | Remote Similarity | NPD8345 | Approved |
0.5878 | Remote Similarity | NPD8347 | Approved |
0.582 | Remote Similarity | NPD8276 | Approved |
0.582 | Remote Similarity | NPD8275 | Approved |
0.5789 | Remote Similarity | NPD6436 | Phase 3 |
0.5738 | Remote Similarity | NPD8082 | Approved |
0.5738 | Remote Similarity | NPD8138 | Approved |
0.5738 | Remote Similarity | NPD8086 | Approved |
0.5738 | Remote Similarity | NPD8139 | Approved |
0.5738 | Remote Similarity | NPD8085 | Approved |
0.5738 | Remote Similarity | NPD8084 | Approved |
0.5738 | Remote Similarity | NPD8083 | Approved |
0.5736 | Remote Similarity | NPD3204 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD2691 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD8393 | Approved |
0.5645 | Remote Similarity | NPD2700 | Approved |
0.5645 | Remote Similarity | NPD8081 | Approved |
0.561 | Remote Similarity | NPD3182 | Approved |
0.561 | Remote Similarity | NPD3185 | Approved |
0.561 | Remote Similarity | NPD3183 | Approved |
0.561 | Remote Similarity | NPD3184 | Approved |
PubChem CID   | 119339 |
ChEMBL   | CHEMBL1230997 |
ZINC   |
Molecular Weight:   | 622.27 |
ALogP:   | -4.6511 |
MLogP:   | 2.23 |
XLogP:   | -3.733 |
# Rotatable Bonds:   | 23 |
Polar Surface Area:   | 268.54 |
# H-Bond Aceptor:   | 18 |
# H-Bond Donor:   | 9 |
# Rings:   | 4 |
# Heavy Atoms:   | 43 |