Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1125 | Streptomyces manipurensis | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO16181 | Streptomyces indicus | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO4362 | Streptomyces endophyticus | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO32148 | Streptomyces km86-9b | Species | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | MIC | = | 3.13 | ug/ml | 10843583 |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 125892.5 | nM | PubChem BioAssay data set | ||
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 28183.8 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 39810.7 | nM | PubChem BioAssay data set | |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT917 | Individual Protein | Dengue virus type 2 NS3 protein | Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) | IC50 | 42030 | nM | PubChem BioAssay data set | |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | 39810.7 | nM | PubChem BioAssay data set | |
NPT161 | Individual Protein | Rap guanine nucleotide exchange factor 4 | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT446 | Individual Protein | Rap guanine nucleotide exchange factor 3 | Homo sapiens | Potency | 112201.8 | nM | PubChem BioAssay data set | |
NPT831 | Individual Protein | Serine/threonine-protein kinase PLK1 | Homo sapiens | Potency | 21192.3 | nM | PubChem BioAssay data set | |
NPT446 | Individual Protein | Rap guanine nucleotide exchange factor 3 | Homo sapiens | Potency | 50118.7 | nM | 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 NPC314679 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 |
---|---|---|
0.9762 | High Similarity | NPC55023 |
0.9545 | High Similarity | NPC477878 |
0.9545 | High Similarity | NPC324793 |
0.9318 | High Similarity | NPC21844 |
0.9048 | High Similarity | NPC248763 |
0.9048 | High Similarity | NPC325452 |
0.8571 | High Similarity | NPC301585 |
0.8571 | High Similarity | NPC14227 |
0.8571 | High Similarity | NPC113928 |
0.8571 | High Similarity | NPC261080 |
0.8571 | High Similarity | NPC154186 |
0.8571 | High Similarity | NPC3531 |
0.8571 | High Similarity | NPC301696 |
0.8571 | High Similarity | NPC279026 |
0.8571 | High Similarity | NPC72722 |
0.8571 | High Similarity | NPC201844 |
0.8182 | Intermediate Similarity | NPC307783 |
0.8182 | Intermediate Similarity | NPC196924 |
0.8182 | Intermediate Similarity | NPC216630 |
0.8182 | Intermediate Similarity | NPC171736 |
0.8182 | Intermediate Similarity | NPC149184 |
0.8182 | Intermediate Similarity | NPC209970 |
0.814 | Intermediate Similarity | NPC214610 |
0.814 | Intermediate Similarity | NPC118968 |
0.814 | Intermediate Similarity | NPC183424 |
0.814 | Intermediate Similarity | NPC294085 |
0.8095 | Intermediate Similarity | NPC252843 |
0.8 | Intermediate Similarity | NPC67462 |
0.7959 | Intermediate Similarity | NPC305182 |
0.7907 | Intermediate Similarity | NPC268826 |
0.7857 | Intermediate Similarity | NPC155263 |
0.7826 | Intermediate Similarity | NPC19305 |
0.7826 | Intermediate Similarity | NPC74845 |
0.7826 | Intermediate Similarity | NPC255837 |
0.766 | Intermediate Similarity | NPC8219 |
0.7636 | Intermediate Similarity | NPC475821 |
0.7619 | Intermediate Similarity | NPC156630 |
0.75 | Intermediate Similarity | NPC305660 |
0.75 | Intermediate Similarity | NPC30195 |
0.75 | Intermediate Similarity | NPC22903 |
0.75 | Intermediate Similarity | NPC201622 |
0.75 | Intermediate Similarity | NPC54980 |
0.75 | Intermediate Similarity | NPC12438 |
0.7451 | Intermediate Similarity | NPC314084 |
0.7442 | Intermediate Similarity | NPC134782 |
0.74 | Intermediate Similarity | NPC476469 |
0.7391 | Intermediate Similarity | NPC103286 |
0.7391 | Intermediate Similarity | NPC163746 |
0.7358 | Intermediate Similarity | NPC319589 |
0.7347 | Intermediate Similarity | NPC328497 |
0.7347 | Intermediate Similarity | NPC249754 |
0.7347 | Intermediate Similarity | NPC324004 |
0.7333 | Intermediate Similarity | NPC31551 |
0.7333 | Intermediate Similarity | NPC219536 |
0.7321 | Intermediate Similarity | NPC470363 |
0.7321 | Intermediate Similarity | NPC469924 |
0.7241 | Intermediate Similarity | NPC474552 |
0.7234 | Intermediate Similarity | NPC301528 |
0.7234 | Intermediate Similarity | NPC71317 |
0.7234 | Intermediate Similarity | NPC129972 |
0.72 | Intermediate Similarity | NPC131770 |
0.72 | Intermediate Similarity | NPC106872 |
0.72 | Intermediate Similarity | NPC13105 |
0.72 | Intermediate Similarity | NPC200618 |
0.7193 | Intermediate Similarity | NPC469921 |
0.7174 | Intermediate Similarity | NPC256163 |
0.7174 | Intermediate Similarity | NPC12156 |
0.7174 | Intermediate Similarity | NPC149299 |
0.7174 | Intermediate Similarity | NPC250028 |
0.7174 | Intermediate Similarity | NPC28598 |
0.7174 | Intermediate Similarity | NPC161097 |
0.7174 | Intermediate Similarity | NPC40597 |
0.7143 | Intermediate Similarity | NPC175342 |
0.7143 | Intermediate Similarity | NPC308301 |
0.7143 | Intermediate Similarity | NPC282440 |
0.7119 | Intermediate Similarity | NPC470325 |
0.7119 | Intermediate Similarity | NPC234767 |
0.7119 | Intermediate Similarity | NPC53642 |
0.7111 | Intermediate Similarity | NPC73245 |
0.7083 | Intermediate Similarity | NPC317128 |
0.7069 | Intermediate Similarity | NPC469923 |
0.7069 | Intermediate Similarity | NPC174560 |
0.7069 | Intermediate Similarity | NPC125312 |
0.7059 | Intermediate Similarity | NPC304162 |
0.7021 | Intermediate Similarity | NPC53541 |
0.7 | Intermediate Similarity | NPC469791 |
0.7 | Intermediate Similarity | NPC476330 |
0.7 | Intermediate Similarity | NPC19311 |
0.7 | Intermediate Similarity | NPC230047 |
0.6957 | Remote Similarity | NPC80234 |
0.6957 | Remote Similarity | NPC223249 |
0.6949 | Remote Similarity | NPC235788 |
0.6923 | Remote Similarity | NPC90904 |
0.6905 | Remote Similarity | NPC280532 |
0.6897 | Remote Similarity | NPC302188 |
0.6889 | Remote Similarity | NPC177022 |
0.6885 | Remote Similarity | NPC241949 |
0.6885 | Remote Similarity | NPC477931 |
0.6885 | Remote Similarity | NPC268736 |
0.6885 | Remote Similarity | NPC42060 |
0.6875 | Remote Similarity | NPC236579 |
0.6875 | Remote Similarity | NPC203531 |
0.6875 | Remote Similarity | NPC289686 |
0.6863 | Remote Similarity | NPC180534 |
0.6833 | Remote Similarity | NPC314103 |
0.6809 | Remote Similarity | NPC165533 |
0.68 | Remote Similarity | NPC166287 |
0.6792 | Remote Similarity | NPC470410 |
0.6792 | Remote Similarity | NPC470412 |
0.6774 | Remote Similarity | NPC130459 |
0.6774 | Remote Similarity | NPC41542 |
0.6774 | Remote Similarity | NPC474221 |
0.6774 | Remote Similarity | NPC476626 |
0.6774 | Remote Similarity | NPC286842 |
0.6774 | Remote Similarity | NPC478180 |
0.6774 | Remote Similarity | NPC472875 |
0.6744 | Remote Similarity | NPC328710 |
0.6744 | Remote Similarity | NPC18224 |
0.6739 | Remote Similarity | NPC316546 |
0.6739 | Remote Similarity | NPC325454 |
0.6739 | Remote Similarity | NPC38930 |
0.6739 | Remote Similarity | NPC223315 |
0.6735 | Remote Similarity | NPC76051 |
0.6731 | Remote Similarity | NPC26253 |
0.6727 | Remote Similarity | NPC87394 |
0.6724 | Remote Similarity | NPC472019 |
0.6724 | Remote Similarity | NPC472020 |
0.6724 | Remote Similarity | NPC226602 |
0.6667 | Remote Similarity | NPC281203 |
0.6667 | Remote Similarity | NPC328441 |
0.6667 | Remote Similarity | NPC319279 |
0.6667 | Remote Similarity | NPC281245 |
0.6667 | Remote Similarity | NPC469724 |
0.6667 | Remote Similarity | NPC36616 |
0.6667 | Remote Similarity | NPC319007 |
0.6667 | Remote Similarity | NPC100917 |
0.6667 | Remote Similarity | NPC470956 |
0.6667 | Remote Similarity | NPC476629 |
0.6667 | Remote Similarity | NPC476614 |
0.6667 | Remote Similarity | NPC31187 |
0.6667 | Remote Similarity | NPC82315 |
0.6667 | Remote Similarity | NPC290445 |
0.661 | Remote Similarity | NPC472021 |
0.661 | Remote Similarity | NPC40206 |
0.661 | Remote Similarity | NPC472328 |
0.661 | Remote Similarity | NPC478126 |
0.6604 | Remote Similarity | NPC50457 |
0.66 | Remote Similarity | NPC469781 |
0.66 | Remote Similarity | NPC287231 |
0.66 | Remote Similarity | NPC47363 |
0.6596 | Remote Similarity | NPC221022 |
0.6596 | Remote Similarity | NPC141634 |
0.6596 | Remote Similarity | NPC81263 |
0.6562 | Remote Similarity | NPC252032 |
0.6562 | Remote Similarity | NPC67608 |
0.6562 | Remote Similarity | NPC196197 |
0.6562 | Remote Similarity | NPC476734 |
0.6562 | Remote Similarity | NPC469941 |
0.6562 | Remote Similarity | NPC319671 |
0.6562 | Remote Similarity | NPC64466 |
0.6562 | Remote Similarity | NPC98711 |
0.6562 | Remote Similarity | NPC474962 |
0.6552 | Remote Similarity | NPC329819 |
0.6545 | Remote Similarity | NPC36061 |
0.6545 | Remote Similarity | NPC1813 |
0.6545 | Remote Similarity | NPC139029 |
0.6545 | Remote Similarity | NPC294548 |
0.6531 | Remote Similarity | NPC18397 |
0.6522 | Remote Similarity | NPC109026 |
0.6522 | Remote Similarity | NPC69245 |
0.6522 | Remote Similarity | NPC14608 |
0.6522 | Remote Similarity | NPC158179 |
0.6508 | Remote Similarity | NPC469925 |
0.6508 | Remote Similarity | NPC60120 |
0.65 | Remote Similarity | NPC306750 |
0.6481 | Remote Similarity | NPC100096 |
0.6471 | Remote Similarity | NPC63182 |
0.6471 | Remote Similarity | NPC52700 |
0.6471 | Remote Similarity | NPC145045 |
0.6471 | Remote Similarity | NPC105329 |
0.6462 | Remote Similarity | NPC470268 |
0.6462 | Remote Similarity | NPC18543 |
0.6462 | Remote Similarity | NPC235586 |
0.6462 | Remote Similarity | NPC108131 |
0.6462 | Remote Similarity | NPC91369 |
0.6462 | Remote Similarity | NPC477850 |
0.6462 | Remote Similarity | NPC477929 |
0.6458 | Remote Similarity | NPC215118 |
0.6458 | Remote Similarity | NPC45270 |
0.6458 | Remote Similarity | NPC135077 |
0.6458 | Remote Similarity | NPC59570 |
0.6444 | Remote Similarity | NPC317203 |
0.6429 | Remote Similarity | NPC151140 |
0.6429 | Remote Similarity | NPC53463 |
0.6429 | Remote Similarity | NPC424 |
0.6429 | Remote Similarity | NPC281972 |
0.6429 | Remote Similarity | NPC469937 |
0.6429 | Remote Similarity | NPC122768 |
0.6429 | Remote Similarity | NPC32467 |
0.6429 | Remote Similarity | NPC23155 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC314679 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 |
---|---|---|---|
1.0 | High Similarity | NPD634 | Phase 3 |
0.875 | High Similarity | NPD3186 | Phase 1 |
0.8571 | High Similarity | NPD77 | Approved |
0.8571 | High Similarity | NPD9448 | Phase 2 |
0.8571 | High Similarity | NPD633 | Phase 3 |
0.8571 | High Similarity | NPD9450 | Approved |
0.8409 | Intermediate Similarity | NPD387 | Clinical (unspecified phase) |
0.84 | Intermediate Similarity | NPD615 | Clinical (unspecified phase) |
0.8182 | Intermediate Similarity | NPD2270 | Approved |
0.814 | Intermediate Similarity | NPD9655 | Approved |
0.8095 | Intermediate Similarity | NPD9449 | Clinical (unspecified phase) |
0.7692 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.766 | Intermediate Similarity | NPD3199 | Clinical (unspecified phase) |
0.7636 | Intermediate Similarity | NPD3198 | Approved |
0.7619 | Intermediate Similarity | NPD9447 | Approved |
0.7556 | Intermediate Similarity | NPD9635 | Discontinued |
0.75 | Intermediate Similarity | NPD3206 | Approved |
0.7451 | Intermediate Similarity | NPD9638 | Phase 2 |
0.7119 | Intermediate Similarity | NPD7909 | Approved |
0.7069 | Intermediate Similarity | NPD9676 | Phase 3 |
0.6897 | Remote Similarity | NPD9656 | Approved |
0.6885 | Remote Similarity | NPD4224 | Phase 2 |
0.6863 | Remote Similarity | NPD622 | Approved |
0.6863 | Remote Similarity | NPD2266 | Phase 2 |
0.68 | Remote Similarity | NPD9430 | Approved |
0.68 | Remote Similarity | NPD9431 | Approved |
0.6667 | Remote Similarity | NPD9438 | Approved |
0.6667 | Remote Similarity | NPD9439 | Approved |
0.6613 | Remote Similarity | NPD375 | Phase 2 |
0.6607 | Remote Similarity | NPD9454 | Approved |
0.66 | Remote Similarity | NPD2699 | Approved |
0.6545 | Remote Similarity | NPD3172 | Approved |
0.6429 | Remote Similarity | NPD3728 | Approved |
0.6429 | Remote Similarity | NPD4266 | Approved |
0.6429 | Remote Similarity | NPD3194 | Approved |
0.6429 | Remote Similarity | NPD3195 | Phase 2 |
0.6429 | Remote Similarity | NPD3196 | Approved |
0.6429 | Remote Similarity | NPD3730 | Approved |
0.6383 | Remote Similarity | NPD9513 | Phase 1 |
0.6364 | Remote Similarity | NPD6081 | Approved |
0.619 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD7341 | Phase 2 |
0.6176 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD388 | Approved |
0.6154 | Remote Similarity | NPD386 | Approved |
0.6087 | Remote Similarity | NPD2257 | Approved |
0.6087 | Remote Similarity | NPD3702 | Approved |
0.6 | Remote Similarity | NPD6117 | Approved |
0.5926 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.5915 | Remote Similarity | NPD6116 | Phase 1 |
0.5909 | Remote Similarity | NPD5360 | Phase 3 |
0.5909 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5893 | Remote Similarity | NPD28 | Approved |
0.5893 | Remote Similarity | NPD29 | Approved |
0.5882 | Remote Similarity | NPD1462 | Approved |
0.587 | Remote Similarity | NPD8857 | Approved |
0.5846 | Remote Similarity | NPD7331 | Phase 2 |
0.5846 | Remote Similarity | NPD9421 | Phase 1 |
0.5833 | Remote Similarity | NPD6115 | Approved |
0.5833 | Remote Similarity | NPD4802 | Phase 2 |
0.5833 | Remote Similarity | NPD6118 | Approved |
0.5833 | Remote Similarity | NPD4238 | Approved |
0.5833 | Remote Similarity | NPD6697 | Approved |
0.5833 | Remote Similarity | NPD6114 | Approved |
0.5821 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD3726 | Approved |
0.5821 | Remote Similarity | NPD3725 | Approved |
0.5821 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD3698 | Phase 2 |
0.5818 | Remote Similarity | NPD3173 | Approved |
0.58 | Remote Similarity | NPD1460 | Approved |
0.5769 | Remote Similarity | NPD8975 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD384 | Approved |
0.5741 | Remote Similarity | NPD344 | Approved |
0.5741 | Remote Similarity | NPD345 | Approved |
0.5741 | Remote Similarity | NPD343 | Approved |
0.5741 | Remote Similarity | NPD385 | Approved |
0.5735 | Remote Similarity | NPD4789 | Approved |
0.5735 | Remote Similarity | NPD4245 | Approved |
0.5735 | Remote Similarity | NPD4244 | Approved |
0.5714 | Remote Similarity | NPD632 | Discontinued |
0.5686 | Remote Similarity | NPD9116 | Phase 1 |
0.5676 | Remote Similarity | NPD5368 | Approved |
0.566 | Remote Similarity | NPD8974 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD4758 | Discontinued |
0.5652 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD5777 | Approved |
0.5616 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5616 | Remote Similarity | NPD617 | Approved |
0.5614 | Remote Similarity | NPD9441 | Phase 2 |
0.56 | Remote Similarity | NPD5369 | Approved |
0.56 | Remote Similarity | NPD857 | Phase 3 |
PubChem CID   | 21672 |
ChEMBL   | CHEMBL495852 |
ZINC   |
Molecular Weight:   | 242.22 |
ALogP:   | -2.3567 |
MLogP:   | 2.89 |
XLogP:   | 6.94 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 17 |