Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Wu A (2006) Tietz clinical guide to laboratory tests, 4th ed. WB Saunders, St. Louis. |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Ki | = | 50000 | nM | 1619617 | |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 14125.4 | nM | PubChem BioAssay data set |
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 1258.9 | nM | PubChem BioAssay data set |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | Potency | = | 145.8 | nM | PubChem BioAssay data set |
NPT442 | Individual Protein | Ferritin light chain | Equus caballus | Potency | = | 44668.4 | nM | PubChem BioAssay data set |
NPT46 | Individual Protein | Thyroid hormone receptor beta-1 | Homo sapiens | Potency | = | 398.1 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 19952.6 | nM | PubChem BioAssay data set |
NPT54 | Individual Protein | Nonstructural protein 1 | Influenza A virus | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | Potency | = | 5 | nM | PubChem BioAssay data set |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 6309.6 | nM | PubChem BioAssay data set |
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | 39810.7 | nM | PubChem BioAssay data set | |
NPT242 | Individual Protein | Dopamine D1 receptor | Homo sapiens | Potency | 129.9 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 1683.4 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 2511.9 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 100000 | nM | PubChem BioAssay data set | |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | 19011.5 | nM | PubChem BioAssay data set | |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 2591.8 | nM | PubChem BioAssay data set | |
NPT813 | Individual Protein | GABA transporter 1 | Mus musculus | Activity | = | 80.8 | % | 21353350 |
NPT815 | Individual Protein | GABA transporter 3 | Mus musculus | Activity | = | 55.8 | % | 21353350 |
NPT816 | Individual Protein | GABA transporter 4 | Mus musculus | Activity | = | 70.9 | % | 21353350 |
NPT2 | Others | Unspecified | Activity | = | 65.1 | % | 21353350 | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | 422.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 3661.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1412.5 | nM | PubChem BioAssay data set | ||
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | Ki | = | 35000000 | nM | 21955456 |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 206 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 10583.9 | nM | PubChem BioAssay data set | ||
NPT446 | Individual Protein | Rap guanine nucleotide exchange factor 3 | Homo sapiens | Potency | 125892.5 | nM | PubChem BioAssay data set | |
NPT104 | Individual Protein | Cerebroside-sulfatase | Homo sapiens | Potency | 338.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 21117.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 5073.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 5741.3 | nM | PubChem BioAssay data set | ||
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 2238.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 3755.3 | nM | PubChem BioAssay data set | ||
NPT1720 | Individual Protein | Plasminogen | Homo sapiens | IC50 | = | 105000 | nM | 24900876 |
NPT1720 | Individual Protein | Plasminogen | Homo sapiens | IC50 | = | 40000 | nM | 24900876 |
NPT2 | Others | Unspecified | AC50 | 290 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 316.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 11220.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 28183.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 31622.8 | 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 NPC323974 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 |
---|---|---|
0.8889 | High Similarity | NPC112890 |
0.8889 | High Similarity | NPC316231 |
0.8889 | High Similarity | NPC324825 |
0.881 | High Similarity | NPC276294 |
0.8696 | High Similarity | NPC50457 |
0.8163 | Intermediate Similarity | NPC279661 |
0.8163 | Intermediate Similarity | NPC183845 |
0.8 | Intermediate Similarity | NPC327698 |
0.8 | Intermediate Similarity | NPC118459 |
0.7872 | Intermediate Similarity | NPC140872 |
0.7872 | Intermediate Similarity | NPC93081 |
0.7857 | Intermediate Similarity | NPC18188 |
0.7692 | Intermediate Similarity | NPC278209 |
0.766 | Intermediate Similarity | NPC101249 |
0.7547 | Intermediate Similarity | NPC176164 |
0.7547 | Intermediate Similarity | NPC319279 |
0.7547 | Intermediate Similarity | NPC189301 |
0.7407 | Intermediate Similarity | NPC254541 |
0.7407 | Intermediate Similarity | NPC64250 |
0.7407 | Intermediate Similarity | NPC320598 |
0.7407 | Intermediate Similarity | NPC276928 |
0.7407 | Intermediate Similarity | NPC268927 |
0.74 | Intermediate Similarity | NPC155512 |
0.7347 | Intermediate Similarity | NPC226027 |
0.7347 | Intermediate Similarity | NPC43204 |
0.7347 | Intermediate Similarity | NPC84636 |
0.7347 | Intermediate Similarity | NPC162620 |
0.7347 | Intermediate Similarity | NPC62045 |
0.7347 | Intermediate Similarity | NPC174246 |
0.7347 | Intermediate Similarity | NPC245027 |
0.7273 | Intermediate Similarity | NPC68974 |
0.72 | Intermediate Similarity | NPC273330 |
0.72 | Intermediate Similarity | NPC137958 |
0.7111 | Intermediate Similarity | NPC121517 |
0.7111 | Intermediate Similarity | NPC326992 |
0.7111 | Intermediate Similarity | NPC168375 |
0.7111 | Intermediate Similarity | NPC66043 |
0.7073 | Intermediate Similarity | NPC18224 |
0.7073 | Intermediate Similarity | NPC328710 |
0.7073 | Intermediate Similarity | NPC175342 |
0.6923 | Remote Similarity | NPC190184 |
0.6923 | Remote Similarity | NPC197087 |
0.6875 | Remote Similarity | NPC329263 |
0.6842 | Remote Similarity | NPC302188 |
0.6809 | Remote Similarity | NPC291186 |
0.6809 | Remote Similarity | NPC167986 |
0.678 | Remote Similarity | NPC278881 |
0.6744 | Remote Similarity | NPC317203 |
0.6667 | Remote Similarity | NPC132307 |
0.6667 | Remote Similarity | NPC2801 |
0.6667 | Remote Similarity | NPC325097 |
0.6667 | Remote Similarity | NPC126925 |
0.6667 | Remote Similarity | NPC114517 |
0.6607 | Remote Similarity | NPC11433 |
0.6607 | Remote Similarity | NPC302003 |
0.6607 | Remote Similarity | NPC245346 |
0.6591 | Remote Similarity | NPC155263 |
0.6591 | Remote Similarity | NPC134782 |
0.6557 | Remote Similarity | NPC60424 |
0.6557 | Remote Similarity | NPC222327 |
0.6557 | Remote Similarity | NPC188231 |
0.6557 | Remote Similarity | NPC314221 |
0.6545 | Remote Similarity | NPC38463 |
0.6545 | Remote Similarity | NPC325985 |
0.6471 | Remote Similarity | NPC327542 |
0.6452 | Remote Similarity | NPC107224 |
0.6444 | Remote Similarity | NPC109026 |
0.6444 | Remote Similarity | NPC252843 |
0.64 | Remote Similarity | NPC136476 |
0.64 | Remote Similarity | NPC49952 |
0.6383 | Remote Similarity | NPC53449 |
0.6349 | Remote Similarity | NPC15864 |
0.6341 | Remote Similarity | NPC174368 |
0.6316 | Remote Similarity | NPC190385 |
0.6304 | Remote Similarity | NPC73245 |
0.6304 | Remote Similarity | NPC268826 |
0.6275 | Remote Similarity | NPC136159 |
0.6271 | Remote Similarity | NPC118429 |
0.6222 | Remote Similarity | NPC272614 |
0.6222 | Remote Similarity | NPC21290 |
0.6222 | Remote Similarity | NPC116709 |
0.6207 | Remote Similarity | NPC317143 |
0.6207 | Remote Similarity | NPC321468 |
0.6207 | Remote Similarity | NPC316826 |
0.6207 | Remote Similarity | NPC327748 |
0.6207 | Remote Similarity | NPC321536 |
0.62 | Remote Similarity | NPC208793 |
0.62 | Remote Similarity | NPC285322 |
0.617 | Remote Similarity | NPC118968 |
0.617 | Remote Similarity | NPC214610 |
0.617 | Remote Similarity | NPC261080 |
0.617 | Remote Similarity | NPC183424 |
0.617 | Remote Similarity | NPC301585 |
0.617 | Remote Similarity | NPC301696 |
0.617 | Remote Similarity | NPC201844 |
0.617 | Remote Similarity | NPC294085 |
0.617 | Remote Similarity | NPC154186 |
0.617 | Remote Similarity | NPC279026 |
0.617 | Remote Similarity | NPC113928 |
0.617 | Remote Similarity | NPC14227 |
0.6154 | Remote Similarity | NPC153370 |
0.614 | Remote Similarity | NPC317147 |
0.614 | Remote Similarity | NPC318260 |
0.6111 | Remote Similarity | NPC202525 |
0.6102 | Remote Similarity | NPC329564 |
0.6102 | Remote Similarity | NPC143722 |
0.6102 | Remote Similarity | NPC327170 |
0.6087 | Remote Similarity | NPC63621 |
0.6078 | Remote Similarity | NPC309658 |
0.6071 | Remote Similarity | NPC322573 |
0.6066 | Remote Similarity | NPC103130 |
0.6066 | Remote Similarity | NPC226453 |
0.6061 | Remote Similarity | NPC315897 |
0.6061 | Remote Similarity | NPC185084 |
0.6042 | Remote Similarity | NPC326212 |
0.6042 | Remote Similarity | NPC237525 |
0.6038 | Remote Similarity | NPC193989 |
0.6038 | Remote Similarity | NPC152451 |
0.6038 | Remote Similarity | NPC270805 |
0.6038 | Remote Similarity | NPC170739 |
0.6038 | Remote Similarity | NPC93888 |
0.6 | Remote Similarity | NPC245768 |
0.6 | Remote Similarity | NPC198301 |
0.5926 | Remote Similarity | NPC315977 |
0.5926 | Remote Similarity | NPC125736 |
0.5918 | Remote Similarity | NPC216630 |
0.5918 | Remote Similarity | NPC196924 |
0.5918 | Remote Similarity | NPC149184 |
0.5918 | Remote Similarity | NPC163746 |
0.5918 | Remote Similarity | NPC248763 |
0.5918 | Remote Similarity | NPC171736 |
0.5918 | Remote Similarity | NPC103286 |
0.5918 | Remote Similarity | NPC209970 |
0.5918 | Remote Similarity | NPC325452 |
0.5918 | Remote Similarity | NPC307783 |
0.5909 | Remote Similarity | NPC125575 |
0.5873 | Remote Similarity | NPC327985 |
0.587 | Remote Similarity | NPC9294 |
0.5818 | Remote Similarity | NPC322946 |
0.5818 | Remote Similarity | NPC155156 |
0.5818 | Remote Similarity | NPC200550 |
0.5806 | Remote Similarity | NPC88898 |
0.5806 | Remote Similarity | NPC57420 |
0.5806 | Remote Similarity | NPC315744 |
0.5806 | Remote Similarity | NPC289691 |
0.5806 | Remote Similarity | NPC106216 |
0.58 | Remote Similarity | NPC71317 |
0.58 | Remote Similarity | NPC301528 |
0.58 | Remote Similarity | NPC289686 |
0.58 | Remote Similarity | NPC129972 |
0.58 | Remote Similarity | NPC67462 |
0.5781 | Remote Similarity | NPC221764 |
0.5781 | Remote Similarity | NPC196359 |
0.5781 | Remote Similarity | NPC135539 |
0.5781 | Remote Similarity | NPC78312 |
0.5778 | Remote Similarity | NPC127142 |
0.5778 | Remote Similarity | NPC57499 |
0.5778 | Remote Similarity | NPC7814 |
0.5769 | Remote Similarity | NPC213876 |
0.5769 | Remote Similarity | NPC297220 |
0.5769 | Remote Similarity | NPC185755 |
0.5745 | Remote Similarity | NPC158179 |
0.5741 | Remote Similarity | NPC328378 |
0.5714 | Remote Similarity | NPC174304 |
0.5714 | Remote Similarity | NPC189178 |
0.5714 | Remote Similarity | NPC50047 |
0.5714 | Remote Similarity | NPC126681 |
0.5714 | Remote Similarity | NPC317815 |
0.5714 | Remote Similarity | NPC263065 |
0.5714 | Remote Similarity | NPC325597 |
0.5714 | Remote Similarity | NPC472609 |
0.5686 | Remote Similarity | NPC255837 |
0.5686 | Remote Similarity | NPC74845 |
0.5686 | Remote Similarity | NPC19305 |
0.566 | Remote Similarity | NPC181588 |
0.566 | Remote Similarity | NPC204364 |
0.5652 | Remote Similarity | NPC289344 |
0.5652 | Remote Similarity | NPC156630 |
0.5625 | Remote Similarity | NPC325534 |
0.5625 | Remote Similarity | NPC287693 |
0.5614 | Remote Similarity | NPC321118 |
0.5614 | Remote Similarity | NPC322091 |
0.5614 | Remote Similarity | NPC316889 |
0.5614 | Remote Similarity | NPC60672 |
0.561 | Remote Similarity | NPC149209 |
0.5606 | Remote Similarity | NPC133183 |
0.5606 | Remote Similarity | NPC322274 |
0.56 | Remote Similarity | NPC326808 |
0.56 | Remote Similarity | NPC110533 |
0.56 | Remote Similarity | NPC226265 |
0.56 | Remote Similarity | NPC219143 |
0.56 | Remote Similarity | NPC317691 |
0.56 | Remote Similarity | NPC254482 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC323974 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 | NPD9019 | Approved |
0.8889 | High Similarity | NPD9044 | Approved |
0.8889 | High Similarity | NPD9016 | Clinical (unspecified phase) |
0.7872 | Intermediate Similarity | NPD8809 | Approved |
0.7872 | Intermediate Similarity | NPD8808 | Approved |
0.7857 | Intermediate Similarity | NPD8623 | Phase 1 |
0.7843 | Intermediate Similarity | NPD9454 | Approved |
0.766 | Intermediate Similarity | NPD8866 | Approved |
0.766 | Intermediate Similarity | NPD8867 | Approved |
0.7547 | Intermediate Similarity | NPD9439 | Approved |
0.7547 | Intermediate Similarity | NPD9438 | Approved |
0.7347 | Intermediate Similarity | NPD9018 | Approved |
0.7347 | Intermediate Similarity | NPD9017 | Approved |
0.72 | Intermediate Similarity | NPD8872 | Phase 3 |
0.72 | Intermediate Similarity | NPD8871 | Approved |
0.7018 | Intermediate Similarity | NPD9676 | Phase 3 |
0.6923 | Remote Similarity | NPD8785 | Approved |
0.6923 | Remote Similarity | NPD8851 | Phase 1 |
0.6852 | Remote Similarity | NPD8979 | Approved |
0.6852 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.6852 | Remote Similarity | NPD8980 | Approved |
0.6842 | Remote Similarity | NPD9656 | Approved |
0.6809 | Remote Similarity | NPD8804 | Approved |
0.6809 | Remote Similarity | NPD8805 | Approved |
0.6667 | Remote Similarity | NPD8798 | Approved |
0.6667 | Remote Similarity | NPD8971 | Approved |
0.6667 | Remote Similarity | NPD9201 | Clinical (unspecified phase) |
0.6607 | Remote Similarity | NPD8865 | Approved |
0.66 | Remote Similarity | NPD8972 | Approved |
0.66 | Remote Similarity | NPD8973 | Approved |
0.66 | Remote Similarity | NPD8850 | Approved |
0.6557 | Remote Similarity | NPD9421 | Phase 1 |
0.6481 | Remote Similarity | NPD630 | Approved |
0.6481 | Remote Similarity | NPD631 | Approved |
0.6452 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.6346 | Remote Similarity | NPD8946 | Approved |
0.6346 | Remote Similarity | NPD8947 | Approved |
0.6327 | Remote Similarity | NPD9062 | Phase 2 |
0.6316 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD9433 | Approved |
0.629 | Remote Similarity | NPD375 | Phase 2 |
0.6271 | Remote Similarity | NPD9014 | Approved |
0.6222 | Remote Similarity | NPD8211 | Approved |
0.6222 | Remote Similarity | NPD8210 | Phase 3 |
0.62 | Remote Similarity | NPD8610 | Approved |
0.617 | Remote Similarity | NPD9448 | Phase 2 |
0.617 | Remote Similarity | NPD9655 | Approved |
0.617 | Remote Similarity | NPD633 | Phase 3 |
0.6154 | Remote Similarity | NPD8614 | Approved |
0.6078 | Remote Similarity | NPD8801 | Approved |
0.6066 | Remote Similarity | NPD9047 | Approved |
0.6066 | Remote Similarity | NPD9048 | Approved |
0.6066 | Remote Similarity | NPD9045 | Approved |
0.6066 | Remote Similarity | NPD9046 | Phase 3 |
0.6061 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.6038 | Remote Similarity | NPD8802 | Approved |
0.6038 | Remote Similarity | NPD9021 | Approved |
0.6038 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.6038 | Remote Similarity | NPD8624 | Approved |
0.597 | Remote Similarity | NPD9217 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD2270 | Approved |
0.5882 | Remote Similarity | NPD632 | Discontinued |
0.5818 | Remote Similarity | NPD9441 | Phase 2 |
0.5781 | Remote Similarity | NPD9233 | Phase 3 |
0.5781 | Remote Similarity | NPD9232 | Phase 2 |
0.5781 | Remote Similarity | NPD8868 | Approved |
0.5781 | Remote Similarity | NPD9231 | Phase 3 |
0.5778 | Remote Similarity | NPD8857 | Approved |
0.5769 | Remote Similarity | NPD8982 | Approved |
0.5714 | Remote Similarity | NPD9204 | Approved |
0.5714 | Remote Similarity | NPD9205 | Approved |
0.5714 | Remote Similarity | NPD7371 | Approved |
0.5714 | Remote Similarity | NPD348 | Approved |
0.5714 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD8952 | Approved |
0.56 | Remote Similarity | NPD8214 | Approved |
0.56 | Remote Similarity | NPD8217 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD8216 | Approved |
0.56 | Remote Similarity | NPD8215 | Approved |
0.56 | Remote Similarity | NPD8609 | Approved |
PubChem CID   | 517030;564 |
ChEMBL   | CHEMBL1046 |
ZINC   |
Molecular Weight:   | 131.09 |
ALogP:   | -1.8073 |
MLogP:   | 1.79 |
XLogP:   | 0.048 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 63.32 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |