Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1085 | Peganum harmala | Species | Nitrariaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1784 | Individual Protein | Serotonin 5a (5-HT5a) receptor | Homo sapiens | Ki | > | 10000 | nM | 12930153 |
NPT1488 | Individual Protein | Monoamine oxidase A | Rattus norvegicus | IC50 | = | 12 | nM | 7490728 |
NPT1487 | Individual Protein | Monoamine oxidase B | Rattus norvegicus | IC50 | = | 150000 | nM | 7490728 |
NPT3240 | Individual Protein | Cyclin-dependent kinase 5 | Homo sapiens | Inhibition | = | 7 | % | 11909733 |
NPT1371 | Individual Protein | Cyclin-dependent kinase 2 | Homo sapiens | Inhibition | = | 10 | % | 11909733 |
NPT1161 | Cell Line | CHO | Cricetulus griseus | Activity | = | 22.1 | % | 6195312 |
NPT1161 | Cell Line | CHO | Cricetulus griseus | Activity | = | 2.3 | % | 6195312 |
NPT1161 | Cell Line | CHO | Cricetulus griseus | Activity | = | 0 | % | 6195312 |
NPT991 | Individual Protein | Trypanothione reductase | Trypanosoma cruzi | Inhibition | = | 19 | % | 18558492 |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | IC50 | = | 119000 | nM | 18558492 |
NPT634 | Organism | Leishmania amazonensis | Leishmania amazonensis | IC50 | = | 99000 | nM | 18558492 |
NPT3107 | Individual Protein | Rho-associated protein kinase 2 | Homo sapiens | Activity | = | 79 | % | 17850214 |
NPT1616 | Individual Protein | MAP kinase p38 beta | Homo sapiens | Activity | = | 92 | % | 17850214 |
NPT1614 | Individual Protein | MAP kinase p38 delta | Homo sapiens | Activity | = | 92 | % | 17850214 |
NPT1615 | Individual Protein | MAP kinase p38 gamma | Homo sapiens | Activity | = | 120 | % | 17850214 |
NPT1695 | Individual Protein | Serine/threonine-protein kinase PAK 4 | Homo sapiens | Activity | = | 90 | % | 17850214 |
NPT1696 | Individual Protein | Serine/threonine-protein kinase PAK7 | Homo sapiens | Activity | = | 84 | % | 17850214 |
NPT1697 | Individual Protein | Serine/threonine-protein kinase PAK6 | Homo sapiens | Activity | = | 106 | % | 17850214 |
NPT1699 | Individual Protein | 3-phosphoinositide dependent protein kinase-1 | Homo sapiens | Activity | = | 86 | % | 17850214 |
NPT2 | Others | Unspecified | Activity | = | 84 | % | 17850214 | |
NPT1265 | Individual Protein | Serine/threonine-protein kinase PIM1 | Homo sapiens | Activity | = | 104 | % | 17850214 |
NPT1700 | Individual Protein | Serine/threonine-protein kinase PIM2 | Homo sapiens | Activity | = | 117 | % | 17850214 |
NPT1701 | Individual Protein | Serine/threonine-protein kinase PIM3 | Homo sapiens | Activity | = | 90 | % | 17850214 |
NPT1703 | Individual Protein | cAMP-dependent protein kinase alpha-catalytic subunit | Homo sapiens | Activity | = | 89 | % | 17850214 |
NPT728 | Individual Protein | Serine/threonine-protein kinase AKT | Homo sapiens | Activity | = | 95 | % | 17850214 |
NPT1430 | Individual Protein | Serine/threonine-protein kinase AKT2 | Homo sapiens | Activity | = | 105 | % | 17850214 |
NPT182 | Individual Protein | Protein kinase C alpha | Homo sapiens | Activity | = | 90 | % | 17850214 |
NPT3455 | Individual Protein | Protein kinase C zeta | Homo sapiens | Activity | = | 108 | % | 17850214 |
NPT3291 | Individual Protein | Serine/threonine-protein kinase SRPK1 | Homo sapiens | Activity | = | 89 | % | 17850214 |
NPT3106 | Individual Protein | Ribosomal protein S6 kinase alpha 1 | Homo sapiens | Activity | = | 110 | % | 17850214 |
NPT1705 | Individual Protein | Ribosomal protein S6 kinase alpha 3 | Homo sapiens | Activity | = | 112 | % | 17850214 |
NPT1611 | Individual Protein | Ribosomal protein S6 kinase 1 | Homo sapiens | Activity | = | 93 | % | 17850214 |
NPT1448 | Individual Protein | Serine/threonine-protein kinase Sgk1 | Homo sapiens | Activity | = | 85 | % | 17850214 |
NPT2626 | Individual Protein | Myosin light chain kinase, smooth muscle | Homo sapiens | Activity | = | 112 | % | 17850214 |
NPT3813 | Individual Protein | Tyrosine-protein kinase SRC | Gallus gallus | Activity | = | 94 | % | 17850214 |
NPT2 | Others | Unspecified | Activity | = | 106 | % | 17850214 | |
NPT1433 | Individual Protein | Serine/threonine-protein kinase Aurora-B | Homo sapiens | Activity | = | 90 | % | 17850214 |
NPT3206 | Individual Protein | Serine/threonine-protein kinase Aurora-C | Homo sapiens | Activity | = | 99 | % | 17850214 |
NPT3344 | Individual Protein | BR serine/threonine-protein kinase 2 | Homo sapiens | Activity | = | 103 | % | 17850214 |
NPT3232 | Individual Protein | CaM kinase I alpha | Homo sapiens | Activity | = | 103 | % | 17850214 |
NPT3248 | Individual Protein | CaM-kinase kinase alpha | Homo sapiens | Activity | = | 89 | % | 17850214 |
NPT1678 | Individual Protein | CaM-kinase kinase beta | Homo sapiens | Activity | = | 89 | % | 17850214 |
NPT3814 | Protein Complex | Cyclin-dependent kinase 2/cyclin A | Homo sapiens | Activity | = | 100 | % | 17850214 |
NPT1608 | Individual Protein | Serine/threonine-protein kinase Chk1 | Homo sapiens | Activity | = | 94 | % | 17850214 |
NPT1680 | Individual Protein | Serine/threonine-protein kinase Chk2 | Homo sapiens | Activity | = | 117 | % | 17850214 |
NPT3266 | Individual Protein | Casein kinase I delta | Homo sapiens | Activity | = | 65 | % | 17850214 |
NPT1609 | Protein Complex | Casein kinase II | Homo sapiens | Activity | = | 87 | % | 17850214 |
NPT3113 | Individual Protein | Tyrosine-protein kinase CSK | Homo sapiens | Activity | = | 82 | % | 17850214 |
NPT3114 | Individual Protein | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | Homo sapiens | Activity | = | 29 | % | 17850214 |
NPT3399 | Individual Protein | Dual-specificity tyrosine-phosphorylation regulated kinase 2 | Homo sapiens | Activity | = | 73 | % | 17850214 |
NPT3460 | Individual Protein | Dual-specificity tyrosine-phosphorylation regulated kinase 3 | Homo sapiens | Activity | = | 49 | % | 17850214 |
NPT1344 | Individual Protein | Serine/threonine-protein kinase EEF2K | Homo sapiens | Activity | = | 107 | % | 17850214 |
NPT281 | Individual Protein | MAP kinase ERK1 | Homo sapiens | Activity | = | 108 | % | 17850214 |
NPT282 | Individual Protein | MAP kinase ERK2 | Homo sapiens | Activity | = | 87 | % | 17850214 |
NPT3363 | Individual Protein | Mitogen-activated protein kinase 15 | Homo sapiens | Activity | = | 44 | % | 17850214 |
NPT3331 | Individual Protein | Serine/threonine-protein kinase MST2 | Homo sapiens | Activity | = | 101 | % | 17850214 |
NPT1658 | Individual Protein | Serine/threonine-protein kinase NEK2 | Homo sapiens | Activity | = | 96 | % | 17850214 |
NPT1657 | Individual Protein | Serine/threonine-protein kinase NEK6 | Homo sapiens | Activity | = | 94 | % | 17850214 |
NPT3284 | Individual Protein | Serine/threonine-protein kinase NEK7 | Homo sapiens | Activity | = | 107 | % | 17850214 |
NPT283 | Individual Protein | MAP kinase p38 alpha | Homo sapiens | Activity | = | 88 | % | 17850214 |
NPT591 | Individual Protein | Glycogen synthase kinase-3 beta | Homo sapiens | Activity | = | 100 | % | 17850214 |
NPT3432 | Individual Protein | Homeodomain-interacting protein kinase 2 | Homo sapiens | Activity | = | 91 | % | 17850214 |
NPT3409 | Individual Protein | Homeodomain-interacting protein kinase 3 | Homo sapiens | Activity | = | 97 | % | 17850214 |
NPT981 | Individual Protein | Inhibitor of nuclear factor kappa B kinase beta subunit | Homo sapiens | Activity | = | 94 | % | 17850214 |
NPT1426 | Individual Protein | c-Jun N-terminal kinase 1 | Homo sapiens | Activity | = | 96 | % | 17850214 |
NPT1427 | Individual Protein | c-Jun N-terminal kinase 2 | Homo sapiens | Activity | = | 86 | % | 17850214 |
NPT3207 | Individual Protein | c-Jun N-terminal kinase 3 | Homo sapiens | Activity | = | 89 | % | 17850214 |
NPT3815 | Individual Protein | Tyrosine-protein kinase LCK | Mus musculus | Activity | = | 81 | % | 17850214 |
NPT1441 | Individual Protein | MAP kinase-activated protein kinase 2 | Homo sapiens | Activity | = | 89 | % | 17850214 |
NPT3461 | Individual Protein | MAP kinase-activated protein kinase 3 | Homo sapiens | Activity | = | 97 | % | 17850214 |
NPT3280 | Individual Protein | Serine/threonine-protein kinase c-TAK1 | Homo sapiens | Activity | = | 110 | % | 17850214 |
NPT3282 | Individual Protein | Maternal embryonic leucine zipper kinase | Homo sapiens | Activity | = | 95 | % | 17850214 |
NPT491 | Individual Protein | Dual specificity mitogen-activated protein kinase kinase 1 | Homo sapiens | Activity | = | 95 | % | 17850214 |
NPT3283 | Individual Protein | MAP kinase-interacting serine/threonine-protein kinase MNK1 | Homo sapiens | Activity | = | 80 | % | 17850214 |
NPT3213 | Individual Protein | MAP kinase signal-integrating kinase 2 | Homo sapiens | Activity | = | 92 | % | 17850214 |
NPT1613 | Individual Protein | Ribosomal protein S6 kinase alpha 5 | Homo sapiens | Activity | = | 94 | % | 17850214 |
NPT3364 | Individual Protein | Protein kinase C mu | Homo sapiens | Activity | = | 108 | % | 17850214 |
NPT831 | Individual Protein | Serine/threonine-protein kinase PLK1 | Homo sapiens | Activity | = | 80 | % | 17850214 |
NPT1612 | Individual Protein | MAP kinase-activated protein kinase 5 | Homo sapiens | Activity | = | 74 | % | 17850214 |
NPT3357 | Individual Protein | Protein kinase N2 | Homo sapiens | Activity | = | 85 | % | 17850214 |
NPT2 | Others | Unspecified | IC50 | > | 130000 | nM | 20329729 | |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 7079.5 | nM | PubChem BioAssay data set |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 14125.4 | nM | PubChem BioAssay data set |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 17782.8 | nM | PubChem BioAssay data set | |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT1197 | Individual Protein | Huntingtin | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 12589.3 | nM | PubChem BioAssay data set | |
NPT1226 | Individual Protein | Caspase-7 | Homo sapiens | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT1226 | Individual Protein | Caspase-7 | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | = | 6309.6 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT791 | Individual Protein | Cruzipain | Trypanosoma cruzi | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 17782.8 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 8912.5 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT583 | Individual Protein | Inositol monophosphatase 1 | Rattus norvegicus | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT442 | Individual Protein | Ferritin light chain | Equus caballus | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 19952.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | = | 25118.9 | nM | PubChem BioAssay data set | |
NPT150 | Individual Protein | Anthrax lethal factor | Bacillus anthracis | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT56 | Individual Protein | Beta-lactamase AmpC | Escherichia coli K-12 | Potency | = | 316.2 | nM | PubChem BioAssay data set |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT277 | Individual Protein | Caspase-1 | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT501 | Individual Protein | Alpha-galactosidase A | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT524 | Individual Protein | Serine-protein kinase ATM | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 19952.6 | nM | PubChem BioAssay data set |
NPT60 | Individual Protein | Lysosomal alpha-glucosidase | Homo sapiens | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 35481.3 | nM | PubChem BioAssay data set | |
NPT59 | Individual Protein | DNA polymerase beta | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 9200 | nM | PubChem BioAssay data set | |
NPT3983 | Individual Protein | CAAX prenyl protease 1 | Saccharomyces cerevisiae S288c | AC50 | = | 2766 | nM | PubChem BioAssay data set |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 18526 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 1299.5 | nM | PubChem BioAssay data set | ||
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT84 | Individual Protein | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Rattus norvegicus | AC50 | = | 1236 | nM | PubChem BioAssay data set |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 18356.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | IC50 | = | 130000 | nM | 21983333 | |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | IC50 | = | 4900 | nM | 22425563 |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | 85.52 | % | 22425563 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | = | 23700 | nM | 22425563 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | Inhibition | = | 65.89 | % | 22425563 |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 3264.3 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 8912.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 9200 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 13335.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 11885.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 29092.9 | nM | PubChem BioAssay data set | ||
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 92.56 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 115.89 | % | 23571415 |
NPT105 | Individual Protein | Muscleblind-like protein 1 | Homo sapiens | Potency | 28183.8 | nM | PubChem BioAssay data set | |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 25118.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 22387.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 35481.3 | nM | PubChem BioAssay data set | ||
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | IC50 | = | 1160 | nM | 24980054 |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | IC50 | = | 116800 | nM | 24980054 |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | = | 116800 | nM | 24980054 |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | = | 1160 | nM | 24980054 |
NPT2 | Others | Unspecified | Potency | 10000 | 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 NPC84478 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 |
---|---|---|
0.9345 | High Similarity | NPC176127 |
0.9167 | High Similarity | NPC72980 |
0.9006 | High Similarity | NPC285558 |
0.8994 | High Similarity | NPC329747 |
0.8944 | High Similarity | NPC232727 |
0.8927 | High Similarity | NPC131017 |
0.8883 | High Similarity | NPC72211 |
0.8876 | High Similarity | NPC70259 |
0.8827 | High Similarity | NPC243834 |
0.8827 | High Similarity | NPC70956 |
0.882 | High Similarity | NPC205934 |
0.882 | High Similarity | NPC43787 |
0.8771 | High Similarity | NPC13880 |
0.8656 | High Similarity | NPC475910 |
0.8644 | High Similarity | NPC296527 |
0.8641 | High Similarity | NPC162484 |
0.8596 | High Similarity | NPC76748 |
0.8587 | High Similarity | NPC135887 |
0.8587 | High Similarity | NPC475085 |
0.8587 | High Similarity | NPC291535 |
0.8587 | High Similarity | NPC199277 |
0.8587 | High Similarity | NPC475112 |
0.8564 | High Similarity | NPC167860 |
0.8564 | High Similarity | NPC123976 |
0.8547 | High Similarity | NPC92111 |
0.8466 | Intermediate Similarity | NPC212535 |
0.8453 | Intermediate Similarity | NPC307963 |
0.8449 | Intermediate Similarity | NPC476106 |
0.8446 | Intermediate Similarity | NPC303658 |
0.8436 | Intermediate Similarity | NPC242928 |
0.8432 | Intermediate Similarity | NPC267423 |
0.8432 | Intermediate Similarity | NPC476044 |
0.8429 | Intermediate Similarity | NPC471080 |
0.8429 | Intermediate Similarity | NPC469592 |
0.8404 | Intermediate Similarity | NPC193777 |
0.8404 | Intermediate Similarity | NPC4687 |
0.8404 | Intermediate Similarity | NPC249583 |
0.8387 | Intermediate Similarity | NPC295898 |
0.8385 | Intermediate Similarity | NPC470549 |
0.8382 | Intermediate Similarity | NPC474409 |
0.838 | Intermediate Similarity | NPC46580 |
0.8378 | Intermediate Similarity | NPC121772 |
0.8378 | Intermediate Similarity | NPC329793 |
0.8378 | Intermediate Similarity | NPC176538 |
0.8373 | Intermediate Similarity | NPC26872 |
0.8371 | Intermediate Similarity | NPC94943 |
0.837 | Intermediate Similarity | NPC306376 |
0.8361 | Intermediate Similarity | NPC251090 |
0.8342 | Intermediate Similarity | NPC170114 |
0.8316 | Intermediate Similarity | NPC201697 |
0.8315 | Intermediate Similarity | NPC190007 |
0.8305 | Intermediate Similarity | NPC474798 |
0.8299 | Intermediate Similarity | NPC305984 |
0.8281 | Intermediate Similarity | NPC316981 |
0.8256 | Intermediate Similarity | NPC469594 |
0.8256 | Intermediate Similarity | NPC473041 |
0.8245 | Intermediate Similarity | NPC223427 |
0.8229 | Intermediate Similarity | NPC87413 |
0.8225 | Intermediate Similarity | NPC26850 |
0.8214 | Intermediate Similarity | NPC193267 |
0.8214 | Intermediate Similarity | NPC213530 |
0.8201 | Intermediate Similarity | NPC470930 |
0.8187 | Intermediate Similarity | NPC48353 |
0.8187 | Intermediate Similarity | NPC177404 |
0.8187 | Intermediate Similarity | NPC308137 |
0.8187 | Intermediate Similarity | NPC310211 |
0.8182 | Intermediate Similarity | NPC19872 |
0.8177 | Intermediate Similarity | NPC11464 |
0.8136 | Intermediate Similarity | NPC96890 |
0.8131 | Intermediate Similarity | NPC60621 |
0.8128 | Intermediate Similarity | NPC128823 |
0.8125 | Intermediate Similarity | NPC174758 |
0.8111 | Intermediate Similarity | NPC62069 |
0.8103 | Intermediate Similarity | NPC116238 |
0.81 | Intermediate Similarity | NPC21638 |
0.8081 | Intermediate Similarity | NPC477533 |
0.8069 | Intermediate Similarity | NPC194740 |
0.8069 | Intermediate Similarity | NPC471762 |
0.8065 | Intermediate Similarity | NPC242209 |
0.8061 | Intermediate Similarity | NPC152768 |
0.8061 | Intermediate Similarity | NPC148183 |
0.8059 | Intermediate Similarity | NPC141353 |
0.8053 | Intermediate Similarity | NPC245816 |
0.8053 | Intermediate Similarity | NPC476138 |
0.805 | Intermediate Similarity | NPC122436 |
0.804 | Intermediate Similarity | NPC477532 |
0.803 | Intermediate Similarity | NPC473179 |
0.802 | Intermediate Similarity | NPC169402 |
0.799 | Intermediate Similarity | NPC471304 |
0.7989 | Intermediate Similarity | NPC88363 |
0.7989 | Intermediate Similarity | NPC315957 |
0.798 | Intermediate Similarity | NPC247803 |
0.798 | Intermediate Similarity | NPC46561 |
0.7979 | Intermediate Similarity | NPC39679 |
0.7959 | Intermediate Similarity | NPC266931 |
0.7957 | Intermediate Similarity | NPC106937 |
0.795 | Intermediate Similarity | NPC310118 |
0.795 | Intermediate Similarity | NPC198503 |
0.7949 | Intermediate Similarity | NPC208284 |
0.794 | Intermediate Similarity | NPC208084 |
0.7938 | Intermediate Similarity | NPC473181 |
0.7938 | Intermediate Similarity | NPC469589 |
0.7938 | Intermediate Similarity | NPC209769 |
0.7931 | Intermediate Similarity | NPC473185 |
0.7926 | Intermediate Similarity | NPC153042 |
0.7914 | Intermediate Similarity | NPC276517 |
0.7912 | Intermediate Similarity | NPC204717 |
0.7908 | Intermediate Similarity | NPC94157 |
0.7908 | Intermediate Similarity | NPC264176 |
0.7902 | Intermediate Similarity | NPC475253 |
0.79 | Intermediate Similarity | NPC150239 |
0.79 | Intermediate Similarity | NPC174760 |
0.7897 | Intermediate Similarity | NPC199667 |
0.7892 | Intermediate Similarity | NPC66777 |
0.7887 | Intermediate Similarity | NPC476465 |
0.7879 | Intermediate Similarity | NPC274982 |
0.7876 | Intermediate Similarity | NPC300156 |
0.7876 | Intermediate Similarity | NPC45190 |
0.7869 | Intermediate Similarity | NPC314002 |
0.7868 | Intermediate Similarity | NPC478074 |
0.7857 | Intermediate Similarity | NPC220765 |
0.7846 | Intermediate Similarity | NPC185782 |
0.7846 | Intermediate Similarity | NPC174672 |
0.7829 | Intermediate Similarity | NPC118511 |
0.7826 | Intermediate Similarity | NPC204385 |
0.7826 | Intermediate Similarity | NPC171171 |
0.7821 | Intermediate Similarity | NPC312872 |
0.7816 | Intermediate Similarity | NPC260434 |
0.7807 | Intermediate Similarity | NPC99666 |
0.7805 | Intermediate Similarity | NPC252251 |
0.7801 | Intermediate Similarity | NPC11017 |
0.78 | Intermediate Similarity | NPC96321 |
0.7794 | Intermediate Similarity | NPC153467 |
0.7778 | Intermediate Similarity | NPC162530 |
0.7778 | Intermediate Similarity | NPC288943 |
0.7766 | Intermediate Similarity | NPC475190 |
0.7756 | Intermediate Similarity | NPC110151 |
0.7749 | Intermediate Similarity | NPC18487 |
0.7746 | Intermediate Similarity | NPC285469 |
0.7745 | Intermediate Similarity | NPC179287 |
0.774 | Intermediate Similarity | NPC473105 |
0.7735 | Intermediate Similarity | NPC283152 |
0.7734 | Intermediate Similarity | NPC280272 |
0.7729 | Intermediate Similarity | NPC477531 |
0.7727 | Intermediate Similarity | NPC26679 |
0.7725 | Intermediate Similarity | NPC326634 |
0.7723 | Intermediate Similarity | NPC86078 |
0.7708 | Intermediate Similarity | NPC249040 |
0.7705 | Intermediate Similarity | NPC206201 |
0.77 | Intermediate Similarity | NPC330009 |
0.77 | Intermediate Similarity | NPC3207 |
0.7688 | Intermediate Similarity | NPC66083 |
0.7681 | Intermediate Similarity | NPC209174 |
0.765 | Intermediate Similarity | NPC222592 |
0.765 | Intermediate Similarity | NPC168486 |
0.7647 | Intermediate Similarity | NPC128751 |
0.7647 | Intermediate Similarity | NPC246700 |
0.7644 | Intermediate Similarity | NPC267928 |
0.7638 | Intermediate Similarity | NPC473180 |
0.7637 | Intermediate Similarity | NPC184964 |
0.7635 | Intermediate Similarity | NPC132642 |
0.763 | Intermediate Similarity | NPC473183 |
0.763 | Intermediate Similarity | NPC184680 |
0.763 | Intermediate Similarity | NPC235685 |
0.7622 | Intermediate Similarity | NPC284678 |
0.7621 | Intermediate Similarity | NPC227908 |
0.7619 | Intermediate Similarity | NPC473184 |
0.7617 | Intermediate Similarity | NPC234197 |
0.7614 | Intermediate Similarity | NPC82548 |
0.7614 | Intermediate Similarity | NPC470931 |
0.7612 | Intermediate Similarity | NPC8022 |
0.7612 | Intermediate Similarity | NPC470799 |
0.7606 | Intermediate Similarity | NPC469497 |
0.7606 | Intermediate Similarity | NPC106833 |
0.7602 | Intermediate Similarity | NPC472111 |
0.76 | Intermediate Similarity | NPC476287 |
0.76 | Intermediate Similarity | NPC39500 |
0.7594 | Intermediate Similarity | NPC470785 |
0.7594 | Intermediate Similarity | NPC470784 |
0.7594 | Intermediate Similarity | NPC101350 |
0.759 | Intermediate Similarity | NPC134848 |
0.7588 | Intermediate Similarity | NPC187501 |
0.7585 | Intermediate Similarity | NPC157931 |
0.7582 | Intermediate Similarity | NPC224764 |
0.7581 | Intermediate Similarity | NPC42591 |
0.7581 | Intermediate Similarity | NPC473189 |
0.7579 | Intermediate Similarity | NPC279401 |
0.7579 | Intermediate Similarity | NPC79293 |
0.7571 | Intermediate Similarity | NPC16667 |
0.7571 | Intermediate Similarity | NPC473182 |
0.7569 | Intermediate Similarity | NPC34508 |
0.7565 | Intermediate Similarity | NPC287437 |
0.7563 | Intermediate Similarity | NPC321428 |
0.755 | Intermediate Similarity | NPC294620 |
0.7546 | Intermediate Similarity | NPC22079 |
0.7526 | Intermediate Similarity | NPC324149 |
0.7525 | Intermediate Similarity | NPC183407 |
0.7525 | Intermediate Similarity | NPC86834 |
0.7525 | Intermediate Similarity | NPC210828 |
0.7514 | Intermediate Similarity | NPC131718 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC84478 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 |
---|---|---|---|
0.8764 | High Similarity | NPD1304 | Clinical (unspecified phase) |
0.8656 | High Similarity | NPD5658 | Approved |
0.8453 | Intermediate Similarity | NPD1038 | Approved |
0.8449 | Intermediate Similarity | NPD3003 | Approved |
0.8424 | Intermediate Similarity | NPD1768 | Approved |
0.8424 | Intermediate Similarity | NPD4118 | Clinical (unspecified phase) |
0.8306 | Intermediate Similarity | NPD3324 | Clinical (unspecified phase) |
0.8115 | Intermediate Similarity | NPD1392 | Approved |
0.8103 | Intermediate Similarity | NPD5903 | Approved |
0.8103 | Intermediate Similarity | NPD5902 | Approved |
0.801 | Intermediate Similarity | NPD4795 | Phase 2 |
0.7989 | Intermediate Similarity | NPD1739 | Approved |
0.7989 | Intermediate Similarity | NPD1740 | Approved |
0.7969 | Intermediate Similarity | NPD8403 | Phase 1 |
0.7957 | Intermediate Similarity | NPD802 | Phase 2 |
0.7937 | Intermediate Similarity | NPD3825 | Phase 3 |
0.7914 | Intermediate Similarity | NPD6861 | Clinical (unspecified phase) |
0.7914 | Intermediate Similarity | NPD4418 | Discontinued |
0.7887 | Intermediate Similarity | NPD2189 | Approved |
0.7887 | Intermediate Similarity | NPD2187 | Approved |
0.78 | Intermediate Similarity | NPD5632 | Approved |
0.78 | Intermediate Similarity | NPD6985 | Discontinued |
0.7789 | Intermediate Similarity | NPD5612 | Discontinued |
0.7766 | Intermediate Similarity | NPD5575 | Clinical (unspecified phase) |
0.7761 | Intermediate Similarity | NPD7194 | Discontinued |
0.7753 | Intermediate Similarity | NPD1326 | Approved |
0.7753 | Intermediate Similarity | NPD1325 | Approved |
0.773 | Intermediate Similarity | NPD5256 | Discontinued |
0.7723 | Intermediate Similarity | NPD6242 | Discontinued |
0.7705 | Intermediate Similarity | NPD4204 | Approved |
0.7705 | Intermediate Similarity | NPD4203 | Approved |
0.7692 | Intermediate Similarity | NPD3920 | Phase 2 |
0.7677 | Intermediate Similarity | NPD5067 | Phase 2 |
0.7677 | Intermediate Similarity | NPD5066 | Phase 2 |
0.7674 | Intermediate Similarity | NPD814 | Clinical (unspecified phase) |
0.766 | Intermediate Similarity | NPD5912 | Clinical (unspecified phase) |
0.766 | Intermediate Similarity | NPD5913 | Phase 3 |
0.7656 | Intermediate Similarity | NPD7558 | Phase 2 |
0.7653 | Intermediate Similarity | NPD7452 | Approved |
0.7653 | Intermediate Similarity | NPD7222 | Phase 2 |
0.7653 | Intermediate Similarity | NPD7453 | Approved |
0.7644 | Intermediate Similarity | NPD7948 | Phase 1 |
0.7632 | Intermediate Similarity | NPD3810 | Clinical (unspecified phase) |
0.76 | Intermediate Similarity | NPD1322 | Clinical (unspecified phase) |
0.7581 | Intermediate Similarity | NPD6344 | Clinical (unspecified phase) |
0.7577 | Intermediate Similarity | NPD4511 | Phase 1 |
0.7565 | Intermediate Similarity | NPD3814 | Phase 1 |
0.7488 | Intermediate Similarity | NPD7823 | Clinical (unspecified phase) |
0.7485 | Intermediate Similarity | NPD1305 | Clinical (unspecified phase) |
0.7463 | Intermediate Similarity | NPD5930 | Phase 3 |
0.7462 | Intermediate Similarity | NPD3397 | Phase 2 |
0.7459 | Intermediate Similarity | NPD4724 | Clinical (unspecified phase) |
0.7448 | Intermediate Similarity | NPD6491 | Clinical (unspecified phase) |
0.7441 | Intermediate Similarity | NPD4885 | Approved |
0.7435 | Intermediate Similarity | NPD3924 | Approved |
0.7435 | Intermediate Similarity | NPD3923 | Approved |
0.7435 | Intermediate Similarity | NPD3922 | Approved |
0.7435 | Intermediate Similarity | NPD3921 | Approved |
0.7418 | Intermediate Similarity | NPD1078 | Clinical (unspecified phase) |
0.7413 | Intermediate Similarity | NPD4502 | Phase 2 |
0.7403 | Intermediate Similarity | NPD6872 | Clinical (unspecified phase) |
0.7395 | Intermediate Similarity | NPD2921 | Clinical (unspecified phase) |
0.7379 | Intermediate Similarity | NPD5070 | Clinical (unspecified phase) |
0.736 | Intermediate Similarity | NPD5669 | Clinical (unspecified phase) |
0.7358 | Intermediate Similarity | NPD6251 | Discontinued |
0.7358 | Intermediate Similarity | NPD6590 | Discontinued |
0.734 | Intermediate Similarity | NPD5083 | Clinical (unspecified phase) |
0.7337 | Intermediate Similarity | NPD6150 | Discontinued |
0.7333 | Intermediate Similarity | NPD3084 | Phase 3 |
0.7326 | Intermediate Similarity | NPD3386 | Phase 2 |
0.7316 | Intermediate Similarity | NPD2749 | Discontinued |
0.7314 | Intermediate Similarity | NPD3833 | Phase 3 |
0.7314 | Intermediate Similarity | NPD3835 | Phase 3 |
0.731 | Intermediate Similarity | NPD1592 | Phase 3 |
0.7308 | Intermediate Similarity | NPD6824 | Clinical (unspecified phase) |
0.7308 | Intermediate Similarity | NPD6160 | Clinical (unspecified phase) |
0.7304 | Intermediate Similarity | NPD6140 | Clinical (unspecified phase) |
0.7296 | Intermediate Similarity | NPD4548 | Discontinued |
0.7291 | Intermediate Similarity | NPD3815 | Phase 1 |
0.7291 | Intermediate Similarity | NPD3816 | Phase 1 |
0.7282 | Intermediate Similarity | NPD6769 | Clinical (unspecified phase) |
0.7259 | Intermediate Similarity | NPD484 | Approved |
0.7258 | Intermediate Similarity | NPD3504 | Approved |
0.7258 | Intermediate Similarity | NPD3503 | Approved |
0.7254 | Intermediate Similarity | NPD6569 | Phase 2 |
0.7251 | Intermediate Similarity | NPD3259 | Approved |
0.725 | Intermediate Similarity | NPD5530 | Phase 1 |
0.7241 | Intermediate Similarity | NPD6220 | Phase 3 |
0.7234 | Intermediate Similarity | NPD7414 | Clinical (unspecified phase) |
0.7231 | Intermediate Similarity | NPD5512 | Phase 3 |
0.7231 | Intermediate Similarity | NPD6550 | Discontinued |
0.7225 | Intermediate Similarity | NPD2383 | Phase 1 |
0.722 | Intermediate Similarity | NPD5417 | Clinical (unspecified phase) |
0.7217 | Intermediate Similarity | NPD5559 | Phase 2 |
0.7211 | Intermediate Similarity | NPD4889 | Approved |
0.7208 | Intermediate Similarity | NPD2177 | Approved |
0.7208 | Intermediate Similarity | NPD2175 | Phase 3 |
0.7208 | Intermediate Similarity | NPD2176 | Approved |
0.7194 | Intermediate Similarity | NPD5003 | Discontinued |
0.7186 | Intermediate Similarity | NPD6208 | Discontinued |
0.7183 | Intermediate Similarity | NPD4952 | Phase 3 |
0.7178 | Intermediate Similarity | NPD2916 | Discontinued |
0.7163 | Intermediate Similarity | NPD6494 | Phase 2 |
0.7163 | Intermediate Similarity | NPD3402 | Phase 1 |
0.7151 | Intermediate Similarity | NPD5065 | Approved |
0.715 | Intermediate Similarity | NPD4499 | Approved |
0.715 | Intermediate Similarity | NPD6324 | Phase 1 |
0.715 | Intermediate Similarity | NPD6991 | Approved |
0.7143 | Intermediate Similarity | NPD3037 | Phase 1 |
0.7143 | Intermediate Similarity | NPD1954 | Phase 1 |
0.7143 | Intermediate Similarity | NPD5140 | Approved |
0.7143 | Intermediate Similarity | NPD5138 | Approved |
0.713 | Intermediate Similarity | NPD5482 | Discontinued |
0.713 | Intermediate Similarity | NPD6244 | Phase 3 |
0.713 | Intermediate Similarity | NPD6243 | Phase 3 |
0.7128 | Intermediate Similarity | NPD1620 | Clinical (unspecified phase) |
0.7122 | Intermediate Similarity | NPD6202 | Discontinued |
0.7121 | Intermediate Similarity | NPD8396 | Approved |
0.7121 | Intermediate Similarity | NPD8395 | Approved |
0.7119 | Intermediate Similarity | NPD4463 | Approved |
0.7119 | Intermediate Similarity | NPD4462 | Approved |
0.7112 | Intermediate Similarity | NPD4354 | Approved |
0.7104 | Intermediate Similarity | NPD6230 | Discontinued |
0.7103 | Intermediate Similarity | NPD8512 | Phase 3 |
0.7092 | Intermediate Similarity | NPD3395 | Approved |
0.7092 | Intermediate Similarity | NPD3396 | Approved |
0.7088 | Intermediate Similarity | NPD972 | Clinical (unspecified phase) |
0.7088 | Intermediate Similarity | NPD1684 | Approved |
0.7088 | Intermediate Similarity | NPD1685 | Approved |
0.7085 | Intermediate Similarity | NPD4501 | Approved |
0.7085 | Intermediate Similarity | NPD4500 | Approved |
0.7083 | Intermediate Similarity | NPD4373 | Phase 2 |
0.7075 | Intermediate Similarity | NPD7719 | Discontinued |
0.7074 | Intermediate Similarity | NPD4072 | Approved |
0.7074 | Intermediate Similarity | NPD4071 | Approved |
0.7073 | Intermediate Similarity | NPD3570 | Phase 2 |
0.7067 | Intermediate Similarity | NPD5164 | Discontinued |
0.7062 | Intermediate Similarity | NPD2565 | Phase 2 |
0.7062 | Intermediate Similarity | NPD2564 | Approved |
0.7061 | Intermediate Similarity | NPD7956 | Approved |
0.7061 | Intermediate Similarity | NPD7955 | Approved |
0.7059 | Intermediate Similarity | NPD2125 | Clinical (unspecified phase) |
0.7056 | Intermediate Similarity | NPD3477 | Phase 2 |
0.7056 | Intermediate Similarity | NPD774 | Phase 3 |
0.7056 | Intermediate Similarity | NPD3478 | Clinical (unspecified phase) |
0.7053 | Intermediate Similarity | NPD5293 | Phase 2 |
0.7051 | Intermediate Similarity | NPD6964 | Approved |
0.7051 | Intermediate Similarity | NPD6963 | Approved |
0.7048 | Intermediate Similarity | NPD7678 | Clinical (unspecified phase) |
0.7047 | Intermediate Similarity | NPD1034 | Phase 3 |
0.7047 | Intermediate Similarity | NPD1033 | Clinical (unspecified phase) |
0.7043 | Intermediate Similarity | NPD5680 | Clinical (unspecified phase) |
0.7037 | Intermediate Similarity | NPD7479 | Phase 2 |
0.7033 | Intermediate Similarity | NPD9705 | Discontinued |
0.7033 | Intermediate Similarity | NPD8405 | Clinical (unspecified phase) |
0.7033 | Intermediate Similarity | NPD112 | Approved |
0.703 | Intermediate Similarity | NPD4033 | Approved |
0.703 | Intermediate Similarity | NPD4038 | Approved |
0.703 | Intermediate Similarity | NPD4122 | Approved |
0.703 | Intermediate Similarity | NPD4039 | Approved |
0.703 | Intermediate Similarity | NPD4034 | Approved |
0.703 | Intermediate Similarity | NPD4037 | Approved |
0.703 | Intermediate Similarity | NPD4036 | Approved |
0.703 | Intermediate Similarity | NPD4035 | Approved |
0.703 | Intermediate Similarity | NPD31 | Approved |
0.703 | Intermediate Similarity | NPD32 | Approved |
0.7027 | Intermediate Similarity | NPD5483 | Clinical (unspecified phase) |
0.7026 | Intermediate Similarity | NPD2334 | Discontinued |
0.702 | Intermediate Similarity | NPD2952 | Discontinued |
0.702 | Intermediate Similarity | NPD6988 | Phase 1 |
0.7016 | Intermediate Similarity | NPD5596 | Phase 2 |
0.7014 | Intermediate Similarity | NPD6473 | Phase 1 |
0.7014 | Intermediate Similarity | NPD4439 | Discontinued |
0.7011 | Intermediate Similarity | NPD3834 | Clinical (unspecified phase) |
0.701 | Intermediate Similarity | NPD4021 | Phase 2 |
0.701 | Intermediate Similarity | NPD7671 | Approved |
0.701 | Intermediate Similarity | NPD7672 | Approved |
0.7 | Intermediate Similarity | NPD7025 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD3763 | Approved |
0.7 | Intermediate Similarity | NPD3875 | Discontinued |
0.6995 | Remote Similarity | NPD4862 | Clinical (unspecified phase) |
0.6995 | Remote Similarity | NPD4305 | Clinical (unspecified phase) |
0.6995 | Remote Similarity | NPD2917 | Approved |
0.6995 | Remote Similarity | NPD6246 | Approved |
0.6991 | Remote Similarity | NPD6962 | Phase 2 |
0.699 | Remote Similarity | NPD6567 | Clinical (unspecified phase) |
0.6989 | Remote Similarity | NPD4184 | Clinical (unspecified phase) |
0.6986 | Remote Similarity | NPD3440 | Clinical (unspecified phase) |
0.6984 | Remote Similarity | NPD6159 | Phase 2 |
0.6983 | Remote Similarity | NPD6476 | Clinical (unspecified phase) |
0.6983 | Remote Similarity | NPD6158 | Phase 2 |
0.6981 | Remote Similarity | NPD7221 | Approved |
0.6981 | Remote Similarity | NPD7219 | Approved |
0.6977 | Remote Similarity | NPD7710 | Clinical (unspecified phase) |
0.6976 | Remote Similarity | NPD4437 | Phase 3 |
0.6974 | Remote Similarity | NPD2410 | Phase 2 |
0.6971 | Remote Similarity | NPD3257 | Approved |
0.6968 | Remote Similarity | NPD1923 | Clinical (unspecified phase) |
0.6968 | Remote Similarity | NPD6790 | Phase 1 |
0.6966 | Remote Similarity | NPD8364 | Approved |
PubChem CID   | |
ChEMBL   | CHEMBL340807 |
ZINC   |
Molecular Weight:   | 214.11 |
ALogP:   | -0.5249 |
MLogP:   | 2.56 |
XLogP:   | 1.73 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 37.38 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 16 |