Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 128 | ug/ml | PubChem BioAssay data set |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 8 | ug/ml | PubChem BioAssay data set |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | = | 256 | ug/ml | PubChem BioAssay data set |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 256 | ug/ml | PubChem BioAssay data set |
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 NPC475340 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 |
---|---|---|
0.8333 | Intermediate Similarity | NPC473994 |
0.7857 | Intermediate Similarity | NPC252564 |
0.7815 | Intermediate Similarity | NPC124358 |
0.7768 | Intermediate Similarity | NPC473537 |
0.7699 | Intermediate Similarity | NPC475249 |
0.7632 | Intermediate Similarity | NPC201712 |
0.7565 | Intermediate Similarity | NPC475518 |
0.7434 | Intermediate Similarity | NPC174117 |
0.693 | Remote Similarity | NPC312637 |
0.6718 | Remote Similarity | NPC470594 |
0.6718 | Remote Similarity | NPC470593 |
0.6696 | Remote Similarity | NPC135005 |
0.6694 | Remote Similarity | NPC476756 |
0.6694 | Remote Similarity | NPC244982 |
0.6667 | Remote Similarity | NPC220111 |
0.6639 | Remote Similarity | NPC470592 |
0.6583 | Remote Similarity | NPC292819 |
0.6538 | Remote Similarity | NPC476955 |
0.6522 | Remote Similarity | NPC21035 |
0.6489 | Remote Similarity | NPC39485 |
0.6489 | Remote Similarity | NPC221196 |
0.6484 | Remote Similarity | NPC66862 |
0.6422 | Remote Similarity | NPC4209 |
0.6406 | Remote Similarity | NPC72753 |
0.6404 | Remote Similarity | NPC175419 |
0.6396 | Remote Similarity | NPC320144 |
0.6364 | Remote Similarity | NPC207010 |
0.6364 | Remote Similarity | NPC317913 |
0.633 | Remote Similarity | NPC212733 |
0.6316 | Remote Similarity | NPC323180 |
0.6306 | Remote Similarity | NPC171426 |
0.6306 | Remote Similarity | NPC80089 |
0.6306 | Remote Similarity | NPC224802 |
0.6306 | Remote Similarity | NPC185465 |
0.6306 | Remote Similarity | NPC324700 |
0.6306 | Remote Similarity | NPC34046 |
0.6293 | Remote Similarity | NPC321340 |
0.6293 | Remote Similarity | NPC171698 |
0.6293 | Remote Similarity | NPC119633 |
0.6293 | Remote Similarity | NPC270957 |
0.6283 | Remote Similarity | NPC109533 |
0.6281 | Remote Similarity | NPC155985 |
0.627 | Remote Similarity | NPC475239 |
0.626 | Remote Similarity | NPC28224 |
0.6259 | Remote Similarity | NPC212106 |
0.625 | Remote Similarity | NPC201276 |
0.625 | Remote Similarity | NPC80891 |
0.624 | Remote Similarity | NPC476755 |
0.6239 | Remote Similarity | NPC280026 |
0.6239 | Remote Similarity | NPC167702 |
0.6231 | Remote Similarity | NPC246399 |
0.6231 | Remote Similarity | NPC474459 |
0.6231 | Remote Similarity | NPC34977 |
0.6228 | Remote Similarity | NPC289486 |
0.6228 | Remote Similarity | NPC61107 |
0.6228 | Remote Similarity | NPC30583 |
0.622 | Remote Similarity | NPC195841 |
0.622 | Remote Similarity | NPC233256 |
0.6216 | Remote Similarity | NPC143133 |
0.6216 | Remote Similarity | NPC298168 |
0.6195 | Remote Similarity | NPC261616 |
0.6183 | Remote Similarity | NPC474452 |
0.6161 | Remote Similarity | NPC329117 |
0.6154 | Remote Similarity | NPC323958 |
0.6154 | Remote Similarity | NPC472313 |
0.6148 | Remote Similarity | NPC35037 |
0.6147 | Remote Similarity | NPC232112 |
0.6142 | Remote Similarity | NPC470596 |
0.614 | Remote Similarity | NPC12933 |
0.6121 | Remote Similarity | NPC471044 |
0.6121 | Remote Similarity | NPC319909 |
0.6121 | Remote Similarity | NPC473336 |
0.6107 | Remote Similarity | NPC79238 |
0.6087 | Remote Similarity | NPC121121 |
0.6063 | Remote Similarity | NPC98765 |
0.6056 | Remote Similarity | NPC478139 |
0.6055 | Remote Similarity | NPC151018 |
0.6055 | Remote Similarity | NPC58057 |
0.6055 | Remote Similarity | NPC156277 |
0.6055 | Remote Similarity | NPC320549 |
0.6055 | Remote Similarity | NPC110615 |
0.6047 | Remote Similarity | NPC8009 |
0.6047 | Remote Similarity | NPC83047 |
0.6047 | Remote Similarity | NPC267217 |
0.6047 | Remote Similarity | NPC48127 |
0.6045 | Remote Similarity | NPC165396 |
0.6045 | Remote Similarity | NPC476502 |
0.6036 | Remote Similarity | NPC97534 |
0.6036 | Remote Similarity | NPC195155 |
0.6036 | Remote Similarity | NPC174964 |
0.6036 | Remote Similarity | NPC273366 |
0.6 | Remote Similarity | NPC58631 |
0.6 | Remote Similarity | NPC237286 |
0.6 | Remote Similarity | NPC470595 |
0.6 | Remote Similarity | NPC323156 |
0.5986 | Remote Similarity | NPC309249 |
0.5982 | Remote Similarity | NPC472486 |
0.5982 | Remote Similarity | NPC5767 |
0.5982 | Remote Similarity | NPC475742 |
0.5982 | Remote Similarity | NPC472487 |
0.5972 | Remote Similarity | NPC262050 |
0.5971 | Remote Similarity | NPC473477 |
0.5969 | Remote Similarity | NPC36497 |
0.5966 | Remote Similarity | NPC252714 |
0.5946 | Remote Similarity | NPC254340 |
0.5929 | Remote Similarity | NPC23884 |
0.5929 | Remote Similarity | NPC475031 |
0.5929 | Remote Similarity | NPC221420 |
0.5917 | Remote Similarity | NPC474719 |
0.5917 | Remote Similarity | NPC283751 |
0.5915 | Remote Similarity | NPC476497 |
0.5913 | Remote Similarity | NPC477851 |
0.5909 | Remote Similarity | NPC139778 |
0.5909 | Remote Similarity | NPC89310 |
0.5893 | Remote Similarity | NPC125767 |
0.5893 | Remote Similarity | NPC21220 |
0.5893 | Remote Similarity | NPC472311 |
0.5882 | Remote Similarity | NPC472272 |
0.5882 | Remote Similarity | NPC302111 |
0.5882 | Remote Similarity | NPC2783 |
0.5882 | Remote Similarity | NPC28542 |
0.5878 | Remote Similarity | NPC159367 |
0.5872 | Remote Similarity | NPC476734 |
0.5872 | Remote Similarity | NPC213178 |
0.5872 | Remote Similarity | NPC319671 |
0.5872 | Remote Similarity | NPC131892 |
0.5872 | Remote Similarity | NPC469941 |
0.5872 | Remote Similarity | NPC327728 |
0.5872 | Remote Similarity | NPC252032 |
0.5872 | Remote Similarity | NPC6120 |
0.5862 | Remote Similarity | NPC469745 |
0.5845 | Remote Similarity | NPC317654 |
0.5845 | Remote Similarity | NPC96010 |
0.5845 | Remote Similarity | NPC476501 |
0.584 | Remote Similarity | NPC476903 |
0.5833 | Remote Similarity | NPC269360 |
0.5833 | Remote Similarity | NPC33768 |
0.5833 | Remote Similarity | NPC264005 |
0.5833 | Remote Similarity | NPC320478 |
0.5827 | Remote Similarity | NPC238323 |
0.5827 | Remote Similarity | NPC239768 |
0.5827 | Remote Similarity | NPC128698 |
0.582 | Remote Similarity | NPC133995 |
0.582 | Remote Similarity | NPC247891 |
0.582 | Remote Similarity | NPC159390 |
0.5818 | Remote Similarity | NPC477929 |
0.5809 | Remote Similarity | NPC470538 |
0.5804 | Remote Similarity | NPC477930 |
0.5798 | Remote Similarity | NPC294438 |
0.5798 | Remote Similarity | NPC34811 |
0.5798 | Remote Similarity | NPC264317 |
0.5794 | Remote Similarity | NPC474164 |
0.5793 | Remote Similarity | NPC473040 |
0.5789 | Remote Similarity | NPC471151 |
0.5789 | Remote Similarity | NPC477918 |
0.5789 | Remote Similarity | NPC477919 |
0.5789 | Remote Similarity | NPC180199 |
0.5785 | Remote Similarity | NPC4309 |
0.5785 | Remote Similarity | NPC16377 |
0.5776 | Remote Similarity | NPC470609 |
0.5772 | Remote Similarity | NPC52756 |
0.5766 | Remote Similarity | NPC469940 |
0.5763 | Remote Similarity | NPC327451 |
0.576 | Remote Similarity | NPC470031 |
0.5752 | Remote Similarity | NPC159789 |
0.575 | Remote Similarity | NPC12774 |
0.5743 | Remote Similarity | NPC474210 |
0.5739 | Remote Similarity | NPC472608 |
0.5739 | Remote Similarity | NPC476732 |
0.5739 | Remote Similarity | NPC31031 |
0.5739 | Remote Similarity | NPC243594 |
0.5739 | Remote Similarity | NPC199965 |
0.5739 | Remote Similarity | NPC26029 |
0.5738 | Remote Similarity | NPC271974 |
0.5738 | Remote Similarity | NPC213832 |
0.5738 | Remote Similarity | NPC56962 |
0.5738 | Remote Similarity | NPC247312 |
0.5738 | Remote Similarity | NPC24705 |
0.5738 | Remote Similarity | NPC57954 |
0.5738 | Remote Similarity | NPC220498 |
0.5736 | Remote Similarity | NPC287638 |
0.5736 | Remote Similarity | NPC233274 |
0.5736 | Remote Similarity | NPC194750 |
0.5736 | Remote Similarity | NPC176012 |
0.5735 | Remote Similarity | NPC470540 |
0.5735 | Remote Similarity | NPC135431 |
0.5734 | Remote Similarity | NPC470537 |
0.5727 | Remote Similarity | NPC196197 |
0.5726 | Remote Similarity | NPC476189 |
0.5726 | Remote Similarity | NPC471902 |
0.5726 | Remote Similarity | NPC224060 |
0.5726 | Remote Similarity | NPC473690 |
0.5726 | Remote Similarity | NPC287118 |
0.5726 | Remote Similarity | NPC244356 |
0.5725 | Remote Similarity | NPC86906 |
0.5714 | Remote Similarity | NPC50438 |
0.5714 | Remote Similarity | NPC289140 |
0.5714 | Remote Similarity | NPC476504 |
0.5714 | Remote Similarity | NPC310766 |
0.5714 | Remote Similarity | NPC242692 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC475340 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 |
---|---|---|---|
0.7857 | Intermediate Similarity | NPD8088 | Phase 1 |
0.7768 | Intermediate Similarity | NPD7920 | Phase 3 |
0.7768 | Intermediate Similarity | NPD7919 | Phase 3 |
0.7328 | Intermediate Similarity | NPD8418 | Phase 2 |
0.7317 | Intermediate Similarity | NPD8298 | Phase 2 |
0.6889 | Remote Similarity | NPD7751 | Phase 1 |
0.6846 | Remote Similarity | NPD7147 | Phase 3 |
0.6846 | Remote Similarity | NPD7148 | Clinical (unspecified phase) |
0.6748 | Remote Similarity | NPD6920 | Discontinued |
0.656 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.6515 | Remote Similarity | NPD7519 | Approved |
0.6515 | Remote Similarity | NPD7518 | Approved |
0.6515 | Remote Similarity | NPD7517 | Approved |
0.6508 | Remote Similarity | NPD6415 | Discontinued |
0.648 | Remote Similarity | NPD8040 | Discontinued |
0.6435 | Remote Similarity | NPD8308 | Discontinued |
0.6422 | Remote Similarity | NPD6117 | Approved |
0.6364 | Remote Similarity | NPD6116 | Phase 1 |
0.632 | Remote Similarity | NPD7911 | Approved |
0.632 | Remote Similarity | NPD7912 | Approved |
0.632 | Remote Similarity | NPD7987 | Approved |
0.632 | Remote Similarity | NPD7986 | Approved |
0.6306 | Remote Similarity | NPD6114 | Approved |
0.6306 | Remote Similarity | NPD6697 | Approved |
0.6306 | Remote Similarity | NPD6115 | Approved |
0.6306 | Remote Similarity | NPD6118 | Approved |
0.6299 | Remote Similarity | NPD7989 | Approved |
0.6299 | Remote Similarity | NPD7990 | Approved |
0.6288 | Remote Similarity | NPD7754 | Approved |
0.6288 | Remote Similarity | NPD7755 | Approved |
0.6239 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6172 | Remote Similarity | NPD8175 | Discontinued |
0.6061 | Remote Similarity | NPD8078 | Approved |
0.6061 | Remote Similarity | NPD8077 | Approved |
0.6055 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6055 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6045 | Remote Similarity | NPD6940 | Discontinued |
0.6018 | Remote Similarity | NPD5364 | Discontinued |
0.5887 | Remote Similarity | NPD8041 | Phase 2 |
0.5877 | Remote Similarity | NPD617 | Approved |
0.5872 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5872 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD621 | Discontinued |
0.582 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.582 | Remote Similarity | NPD6700 | Approved |
0.5798 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD3713 | Approved |
0.5794 | Remote Similarity | NPD3715 | Approved |
0.5794 | Remote Similarity | NPD3714 | Approved |
0.5772 | Remote Similarity | NPD6703 | Approved |
0.5772 | Remote Similarity | NPD6702 | Approved |
0.5766 | Remote Similarity | NPD6081 | Approved |
0.5752 | Remote Similarity | NPD3703 | Phase 2 |
0.5735 | Remote Similarity | NPD7915 | Approved |
0.5735 | Remote Similarity | NPD7916 | Approved |
0.5714 | Remote Similarity | NPD6908 | Approved |
0.5714 | Remote Similarity | NPD6909 | Approved |
0.5691 | Remote Similarity | NPD2682 | Approved |
0.5682 | Remote Similarity | NPD1828 | Approved |
0.5682 | Remote Similarity | NPD1829 | Clinical (unspecified phase) |
0.5682 | Remote Similarity | NPD1827 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD4244 | Approved |
0.5676 | Remote Similarity | NPD4789 | Approved |
0.5676 | Remote Similarity | NPD4245 | Approved |
0.5652 | Remote Similarity | NPD8143 | Approved |
0.5652 | Remote Similarity | NPD8144 | Approved |
0.5645 | Remote Similarity | NPD8034 | Phase 2 |
0.5645 | Remote Similarity | NPD8035 | Phase 2 |
0.5636 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD5360 | Phase 3 |
0.5625 | Remote Similarity | NPD3104 | Approved |
0.5625 | Remote Similarity | NPD3101 | Approved |
0.5625 | Remote Similarity | NPD3103 | Approved |
0.5625 | Remote Similarity | NPD3102 | Approved |
0.5603 | Remote Similarity | NPD4776 | Phase 2 |
0.5603 | Remote Similarity | NPD4777 | Suspended |
PubChem CID   | 10770682 |
ChEMBL   | CHEMBL503780 |
ZINC   |
Molecular Weight:   | 664.50 |
ALogP:   | -2.1035 |
MLogP:   | 4.54 |
XLogP:   | 4.315 |
# Rotatable Bonds:   | 27 |
Polar Surface Area:   | 176 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 6 |
# Rings:   | 4 |
# Heavy Atoms:   | 46 |