Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO30125 | Notopterygium forbesii | NA | NA | NA | TCM_Taiwan* | |||
NPO30125 | Notopterygium forbesii | NA | NA | NA | HerDing* | |||
NPO30686 | Citrus hystrix | Species | Rutaceae | Eukaryota | Exocarp |
PMID[20964319] |
||
NPO7279 | Ferulago capillaries | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO8874 | Glehnia littoralis | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO18129 | Notopterygii rhizoma et radix | NA | NA | NA | TCMSP* | |||
NPO29661 | Glehniae radix | NA | NA | NA | TCMSP* | |||
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8874 | Glehnia littoralis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO24644 | Hansenia forbesii | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2392 | Hansenia weberbaueriana | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2953 | Ostericum grosseserratum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO8874 | Glehnia littoralis | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO7279 | Ferulago capillaries | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO24644 | Hansenia forbesii | Species | Apiaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | IC50 | = | 2420 | nM | 19689106 |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | = | 50118.7 | nM | PubChem BioAssay data set |
NPT213 | Individual Protein | Cytochrome P450 2C19 | Homo sapiens | Potency | = | 10 | nM | PubChem BioAssay data set |
NPT150 | Individual Protein | Anthrax lethal factor | Bacillus anthracis | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Potency | = | 63.1 | nM | PubChem BioAssay data set |
NPT212 | Individual Protein | Cytochrome P450 2C9 | Homo sapiens | Potency | = | 31.6 | nM | PubChem BioAssay data set |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | 56234.1 | nM | PubChem BioAssay data set | |
NPT627 | Individual Protein | Cytochrome P450 2B6 | Homo sapiens | Ki | = | 5200 | nM | 16248836 |
NPT241 | Individual Protein | Cytochrome P450 2E1 | Homo sapiens | Ki | = | 40000 | nM | 16248836 |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Ki | = | 7700 | nM | 16248836 |
NPT4023 | Individual Protein | Cytochrome P450 3A5 | Homo sapiens | Ki | = | 20000 | nM | 16248836 |
NPT5073 | Individual Protein | Cytochrome P450 2B4 | Oryctolagus cuniculus | Ki | = | 2800 | nM | 16248836 |
NPT1775 | Individual Protein | Cytochrome P450 2B1 | Rattus norvegicus | Ki | = | 2400 | nM | 16248836 |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT740 | Individual Protein | Beta-secretase 1 | Homo sapiens | IC50 | = | 32200 | nM | 22222157 |
NPT740 | Individual Protein | Beta-secretase 1 | Homo sapiens | Ki | = | 34800 | nM | 22222157 |
NPT740 | Individual Protein | Beta-secretase 1 | Homo sapiens | Ki | = | 700 | nM | 22222157 |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 38282.47 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 34673.69 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 27352.69 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 22803.42 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 21478.3 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 50234.26 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 16368.17 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 37153.52 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 14893.61 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 33496.54 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 22438.82 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 23067.47 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 25409.73 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 15381.55 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 43351.09 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 20606.3 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 34994.52 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 23768.4 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 43651.58 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 32284.94 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 15170.5 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 24434.31 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 42169.65 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 37757.22 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 32658.78 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 18967.06 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 27669.42 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 33806.48 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 17139.57 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 41399.97 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 44258.84 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 21037.78 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 16032.45 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 24945.95 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 28248.8 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 30408.85 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 54075.43 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 23768.4 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 19098.53 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 22233.1 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 29853.83 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 19275.25 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 27542.29 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 29853.83 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 10715.19 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 43954.16 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 34593.94 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 25409.73 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 39536.66 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 48083.93 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 24660.39 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 32359.37 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 18030.18 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 30060.76 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 19678.86 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 59156.16 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 17538.81 | nM | PubChem BioAssay data set | |
NPT1631 | Individual Protein | Solute carrier organic anion transporter family member 1A5 | Rattus norvegicus | Activity | = | 22 | % | 11823753 |
NPT622 | Individual Protein | Solute carrier organic anion transporter family member 2B1 | Homo sapiens | Activity | = | 40 | % | 15640378 |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | 79432.8 | nM | PubChem BioAssay data set | |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Ratio | = | 0.04 | /uM/min | 21068193 |
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 NPC191104 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 |
---|---|---|
0.993 | High Similarity | NPC88445 |
0.979 | High Similarity | NPC304443 |
0.979 | High Similarity | NPC74539 |
0.965 | High Similarity | NPC246903 |
0.9597 | High Similarity | NPC269495 |
0.9586 | High Similarity | NPC266743 |
0.9514 | High Similarity | NPC208584 |
0.951 | High Similarity | NPC51146 |
0.951 | High Similarity | NPC313036 |
0.951 | High Similarity | NPC166858 |
0.947 | High Similarity | NPC49009 |
0.9463 | High Similarity | NPC295608 |
0.9463 | High Similarity | NPC250769 |
0.9463 | High Similarity | NPC278010 |
0.9448 | High Similarity | NPC190572 |
0.9408 | High Similarity | NPC14822 |
0.9396 | High Similarity | NPC131725 |
0.9342 | High Similarity | NPC95472 |
0.9342 | High Similarity | NPC169 |
0.9342 | High Similarity | NPC239270 |
0.9342 | High Similarity | NPC303210 |
0.9338 | High Similarity | NPC270044 |
0.9324 | High Similarity | NPC148423 |
0.9324 | High Similarity | NPC135303 |
0.9324 | High Similarity | NPC155882 |
0.9306 | High Similarity | NPC254010 |
0.9301 | High Similarity | NPC262635 |
0.9252 | High Similarity | NPC198427 |
0.9236 | High Similarity | NPC470856 |
0.92 | High Similarity | NPC130015 |
0.92 | High Similarity | NPC38361 |
0.9195 | High Similarity | NPC472406 |
0.9189 | High Similarity | NPC306788 |
0.9167 | High Similarity | NPC472515 |
0.9167 | High Similarity | NPC155264 |
0.9167 | High Similarity | NPC67450 |
0.9167 | High Similarity | NPC210460 |
0.9167 | High Similarity | NPC193881 |
0.9161 | High Similarity | NPC253616 |
0.9156 | High Similarity | NPC216092 |
0.9139 | High Similarity | NPC41719 |
0.9133 | High Similarity | NPC472407 |
0.9097 | High Similarity | NPC36414 |
0.9091 | High Similarity | NPC243509 |
0.9091 | High Similarity | NPC268081 |
0.9079 | High Similarity | NPC233776 |
0.9073 | High Similarity | NPC263676 |
0.9048 | High Similarity | NPC17262 |
0.9038 | High Similarity | NPC179464 |
0.9034 | High Similarity | NPC136095 |
0.9026 | High Similarity | NPC33320 |
0.902 | High Similarity | NPC160015 |
0.902 | High Similarity | NPC247677 |
0.9007 | High Similarity | NPC98028 |
0.9 | High Similarity | NPC37226 |
0.9 | High Similarity | NPC226644 |
0.8974 | High Similarity | NPC78612 |
0.8974 | High Similarity | NPC234536 |
0.8968 | High Similarity | NPC115432 |
0.8968 | High Similarity | NPC260296 |
0.8961 | High Similarity | NPC260902 |
0.8961 | High Similarity | NPC296957 |
0.8958 | High Similarity | NPC472516 |
0.8904 | High Similarity | NPC473209 |
0.8903 | High Similarity | NPC244750 |
0.8903 | High Similarity | NPC476350 |
0.8903 | High Similarity | NPC476349 |
0.8897 | High Similarity | NPC103001 |
0.8896 | High Similarity | NPC470625 |
0.8889 | High Similarity | NPC1477 |
0.8889 | High Similarity | NPC213608 |
0.8889 | High Similarity | NPC122365 |
0.8882 | High Similarity | NPC290671 |
0.8882 | High Similarity | NPC170169 |
0.8882 | High Similarity | NPC116604 |
0.8875 | High Similarity | NPC144288 |
0.8874 | High Similarity | NPC296030 |
0.8874 | High Similarity | NPC39929 |
0.8874 | High Similarity | NPC317492 |
0.8867 | High Similarity | NPC130581 |
0.8867 | High Similarity | NPC12148 |
0.8861 | High Similarity | NPC179015 |
0.8861 | High Similarity | NPC173149 |
0.8859 | High Similarity | NPC171656 |
0.8839 | High Similarity | NPC65504 |
0.8831 | High Similarity | NPC198490 |
0.8831 | High Similarity | NPC474542 |
0.8828 | High Similarity | NPC254741 |
0.8828 | High Similarity | NPC29638 |
0.8824 | High Similarity | NPC5871 |
0.8824 | High Similarity | NPC67654 |
0.8816 | High Similarity | NPC230713 |
0.8816 | High Similarity | NPC78335 |
0.8808 | High Similarity | NPC168085 |
0.8808 | High Similarity | NPC135325 |
0.8805 | High Similarity | NPC323137 |
0.88 | High Similarity | NPC210826 |
0.88 | High Similarity | NPC300267 |
0.88 | High Similarity | NPC51641 |
0.8797 | High Similarity | NPC65846 |
0.8797 | High Similarity | NPC155640 |
0.8792 | High Similarity | NPC184702 |
0.8773 | High Similarity | NPC107244 |
0.8773 | High Similarity | NPC325176 |
0.8767 | High Similarity | NPC38153 |
0.8766 | High Similarity | NPC183874 |
0.8766 | High Similarity | NPC472462 |
0.8765 | High Similarity | NPC233956 |
0.8765 | High Similarity | NPC72455 |
0.8758 | High Similarity | NPC51404 |
0.8758 | High Similarity | NPC156244 |
0.875 | High Similarity | NPC37208 |
0.875 | High Similarity | NPC247743 |
0.875 | High Similarity | NPC221868 |
0.875 | High Similarity | NPC178202 |
0.875 | High Similarity | NPC164299 |
0.8742 | High Similarity | NPC259007 |
0.8742 | High Similarity | NPC329215 |
0.8742 | High Similarity | NPC204088 |
0.8741 | High Similarity | NPC175159 |
0.8734 | High Similarity | NPC193998 |
0.8733 | High Similarity | NPC294365 |
0.8733 | High Similarity | NPC179970 |
0.8712 | High Similarity | NPC53917 |
0.8712 | High Similarity | NPC224165 |
0.871 | High Similarity | NPC108937 |
0.871 | High Similarity | NPC148938 |
0.871 | High Similarity | NPC279218 |
0.8701 | High Similarity | NPC253872 |
0.8699 | High Similarity | NPC161196 |
0.8693 | High Similarity | NPC474735 |
0.869 | High Similarity | NPC229128 |
0.8684 | High Similarity | NPC272194 |
0.8681 | High Similarity | NPC55147 |
0.8681 | High Similarity | NPC54503 |
0.8681 | High Similarity | NPC229646 |
0.8675 | High Similarity | NPC473927 |
0.8675 | High Similarity | NPC470322 |
0.8675 | High Similarity | NPC154217 |
0.8671 | High Similarity | NPC472517 |
0.8671 | High Similarity | NPC264293 |
0.8667 | High Similarity | NPC470932 |
0.8667 | High Similarity | NPC302181 |
0.8667 | High Similarity | NPC225884 |
0.8662 | High Similarity | NPC40583 |
0.8658 | High Similarity | NPC22467 |
0.8658 | High Similarity | NPC297985 |
0.8654 | High Similarity | NPC469936 |
0.8654 | High Similarity | NPC474738 |
0.8654 | High Similarity | NPC321372 |
0.8654 | High Similarity | NPC129053 |
0.8654 | High Similarity | NPC78554 |
0.8654 | High Similarity | NPC474609 |
0.8654 | High Similarity | NPC109967 |
0.8654 | High Similarity | NPC475797 |
0.8649 | High Similarity | NPC11566 |
0.8645 | High Similarity | NPC186507 |
0.8645 | High Similarity | NPC235333 |
0.8642 | High Similarity | NPC120220 |
0.8642 | High Similarity | NPC281835 |
0.8639 | High Similarity | NPC259685 |
0.8636 | High Similarity | NPC318424 |
0.8634 | High Similarity | NPC320789 |
0.863 | High Similarity | NPC46869 |
0.8625 | High Similarity | NPC136641 |
0.8621 | High Similarity | NPC223354 |
0.8621 | High Similarity | NPC292998 |
0.8618 | High Similarity | NPC471285 |
0.8618 | High Similarity | NPC282335 |
0.8618 | High Similarity | NPC17816 |
0.8618 | High Similarity | NPC218300 |
0.8616 | High Similarity | NPC219861 |
0.8609 | High Similarity | NPC230943 |
0.8609 | High Similarity | NPC1886 |
0.8609 | High Similarity | NPC311741 |
0.8609 | High Similarity | NPC196137 |
0.8609 | High Similarity | NPC469953 |
0.8609 | High Similarity | NPC234629 |
0.8608 | High Similarity | NPC43971 |
0.8608 | High Similarity | NPC19554 |
0.8608 | High Similarity | NPC74749 |
0.86 | High Similarity | NPC294432 |
0.86 | High Similarity | NPC470556 |
0.86 | High Similarity | NPC36181 |
0.86 | High Similarity | NPC112829 |
0.86 | High Similarity | NPC53192 |
0.86 | High Similarity | NPC472344 |
0.8599 | High Similarity | NPC268360 |
0.8599 | High Similarity | NPC164110 |
0.8599 | High Similarity | NPC96342 |
0.8599 | High Similarity | NPC212967 |
0.8599 | High Similarity | NPC246647 |
0.8591 | High Similarity | NPC474037 |
0.8591 | High Similarity | NPC472409 |
0.859 | High Similarity | NPC213936 |
0.859 | High Similarity | NPC297531 |
0.8589 | High Similarity | NPC472584 |
0.8581 | High Similarity | NPC476238 |
0.8581 | High Similarity | NPC327269 |
0.8581 | High Similarity | NPC207624 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC191104 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 |
---|---|---|---|
0.979 | High Similarity | NPD920 | Approved |
0.965 | High Similarity | NPD642 | Clinical (unspecified phase) |
0.951 | High Similarity | NPD643 | Clinical (unspecified phase) |
0.9301 | High Similarity | NPD1243 | Approved |
0.9026 | High Similarity | NPD919 | Approved |
0.8699 | High Similarity | NPD2796 | Approved |
0.8671 | High Similarity | NPD1247 | Approved |
0.8487 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.8421 | Intermediate Similarity | NPD6799 | Approved |
0.8408 | Intermediate Similarity | NPD7096 | Clinical (unspecified phase) |
0.8408 | Intermediate Similarity | NPD7819 | Suspended |
0.8397 | Intermediate Similarity | NPD7411 | Suspended |
0.8365 | Intermediate Similarity | NPD3749 | Approved |
0.8344 | Intermediate Similarity | NPD6801 | Discontinued |
0.8261 | Intermediate Similarity | NPD5494 | Approved |
0.825 | Intermediate Similarity | NPD7075 | Discontinued |
0.8217 | Intermediate Similarity | NPD6599 | Discontinued |
0.8204 | Intermediate Similarity | NPD6559 | Discontinued |
0.8146 | Intermediate Similarity | NPD2343 | Clinical (unspecified phase) |
0.8133 | Intermediate Similarity | NPD3748 | Approved |
0.8133 | Intermediate Similarity | NPD1510 | Phase 2 |
0.8129 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.8129 | Intermediate Similarity | NPD2533 | Approved |
0.8129 | Intermediate Similarity | NPD2532 | Approved |
0.8129 | Intermediate Similarity | NPD2534 | Approved |
0.8125 | Intermediate Similarity | NPD3817 | Phase 2 |
0.8101 | Intermediate Similarity | NPD4380 | Phase 2 |
0.8092 | Intermediate Similarity | NPD1549 | Phase 2 |
0.8082 | Intermediate Similarity | NPD6832 | Phase 2 |
0.8079 | Intermediate Similarity | NPD1551 | Phase 2 |
0.8075 | Intermediate Similarity | NPD7768 | Phase 2 |
0.8063 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.8061 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.8039 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.8039 | Intermediate Similarity | NPD2800 | Approved |
0.8026 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.8026 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.8013 | Intermediate Similarity | NPD2799 | Discontinued |
0.8 | Intermediate Similarity | NPD3926 | Phase 2 |
0.7987 | Intermediate Similarity | NPD1240 | Approved |
0.7973 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.7973 | Intermediate Similarity | NPD2313 | Discontinued |
0.7964 | Intermediate Similarity | NPD7893 | Clinical (unspecified phase) |
0.7963 | Intermediate Similarity | NPD3882 | Suspended |
0.7914 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.7908 | Intermediate Similarity | NPD2344 | Approved |
0.7901 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.7881 | Intermediate Similarity | NPD1607 | Approved |
0.7871 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7871 | Intermediate Similarity | NPD3750 | Approved |
0.7857 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.7857 | Intermediate Similarity | NPD3818 | Discontinued |
0.7843 | Intermediate Similarity | NPD2935 | Discontinued |
0.784 | Intermediate Similarity | NPD2801 | Approved |
0.7824 | Intermediate Similarity | NPD5953 | Discontinued |
0.7815 | Intermediate Similarity | NPD1899 | Clinical (unspecified phase) |
0.7811 | Intermediate Similarity | NPD7286 | Phase 2 |
0.7799 | Intermediate Similarity | NPD5403 | Approved |
0.7791 | Intermediate Similarity | NPD5402 | Approved |
0.7785 | Intermediate Similarity | NPD5401 | Approved |
0.7778 | Intermediate Similarity | NPD1934 | Approved |
0.7725 | Intermediate Similarity | NPD6232 | Discontinued |
0.7725 | Intermediate Similarity | NPD6808 | Phase 2 |
0.7722 | Intermediate Similarity | NPD1511 | Approved |
0.7707 | Intermediate Similarity | NPD2309 | Approved |
0.7706 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.7706 | Intermediate Similarity | NPD5844 | Phase 1 |
0.7703 | Intermediate Similarity | NPD1019 | Discontinued |
0.7702 | Intermediate Similarity | NPD3226 | Approved |
0.7692 | Intermediate Similarity | NPD7473 | Discontinued |
0.7688 | Intermediate Similarity | NPD6980 | Clinical (unspecified phase) |
0.7665 | Intermediate Similarity | NPD6959 | Discontinued |
0.7636 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.7625 | Intermediate Similarity | NPD1512 | Approved |
0.7616 | Intermediate Similarity | NPD1296 | Phase 2 |
0.758 | Intermediate Similarity | NPD2654 | Approved |
0.7564 | Intermediate Similarity | NPD1471 | Phase 3 |
0.7564 | Intermediate Similarity | NPD2346 | Discontinued |
0.7561 | Intermediate Similarity | NPD6279 | Approved |
0.7561 | Intermediate Similarity | NPD6280 | Approved |
0.7551 | Intermediate Similarity | NPD9717 | Approved |
0.7532 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7529 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7517 | Intermediate Similarity | NPD3267 | Approved |
0.7517 | Intermediate Similarity | NPD3266 | Approved |
0.7517 | Intermediate Similarity | NPD1203 | Approved |
0.7516 | Intermediate Similarity | NPD4307 | Phase 2 |
0.7515 | Intermediate Similarity | NPD5710 | Approved |
0.7515 | Intermediate Similarity | NPD5711 | Approved |
0.7515 | Intermediate Similarity | NPD7229 | Phase 3 |
0.7483 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.7458 | Intermediate Similarity | NPD8434 | Phase 2 |
0.744 | Intermediate Similarity | NPD5537 | Clinical (unspecified phase) |
0.7436 | Intermediate Similarity | NPD7033 | Discontinued |
0.7429 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.7427 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7427 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7427 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7419 | Intermediate Similarity | NPD6651 | Approved |
0.7399 | Intermediate Similarity | NPD7054 | Approved |
0.7394 | Intermediate Similarity | NPD5890 | Approved |
0.7394 | Intermediate Similarity | NPD5889 | Approved |
0.7386 | Intermediate Similarity | NPD3268 | Approved |
0.7374 | Intermediate Similarity | NPD4287 | Approved |
0.7365 | Intermediate Similarity | NPD422 | Phase 1 |
0.7356 | Intermediate Similarity | NPD7074 | Phase 3 |
0.7356 | Intermediate Similarity | NPD7472 | Approved |
0.7355 | Intermediate Similarity | NPD5123 | Clinical (unspecified phase) |
0.7355 | Intermediate Similarity | NPD5124 | Phase 1 |
0.7355 | Intermediate Similarity | NPD1933 | Approved |
0.7355 | Intermediate Similarity | NPD447 | Suspended |
0.7351 | Intermediate Similarity | NPD2798 | Approved |
0.7326 | Intermediate Similarity | NPD2403 | Approved |
0.7325 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7314 | Intermediate Similarity | NPD6797 | Phase 2 |
0.7305 | Intermediate Similarity | NPD1465 | Phase 2 |
0.7289 | Intermediate Similarity | NPD7615 | Clinical (unspecified phase) |
0.7285 | Intermediate Similarity | NPD2797 | Approved |
0.7273 | Intermediate Similarity | NPD7251 | Discontinued |
0.7257 | Intermediate Similarity | NPD1729 | Discontinued |
0.7255 | Intermediate Similarity | NPD1008 | Clinical (unspecified phase) |
0.7244 | Intermediate Similarity | NPD230 | Phase 1 |
0.7232 | Intermediate Similarity | NPD7808 | Phase 3 |
0.723 | Intermediate Similarity | NPD17 | Approved |
0.7229 | Intermediate Similarity | NPD6585 | Discontinued |
0.7225 | Intermediate Similarity | NPD7784 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD1241 | Discontinued |
0.7216 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.7205 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7202 | Intermediate Similarity | NPD5760 | Phase 2 |
0.7202 | Intermediate Similarity | NPD5761 | Phase 2 |
0.72 | Intermediate Similarity | NPD3972 | Approved |
0.7168 | Intermediate Similarity | NPD5242 | Approved |
0.7161 | Intermediate Similarity | NPD411 | Approved |
0.716 | Intermediate Similarity | NPD4288 | Approved |
0.716 | Intermediate Similarity | NPD2296 | Approved |
0.716 | Intermediate Similarity | NPD3887 | Approved |
0.7135 | Intermediate Similarity | NPD8090 | Clinical (unspecified phase) |
0.7134 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7125 | Intermediate Similarity | NPD6006 | Clinical (unspecified phase) |
0.7125 | Intermediate Similarity | NPD6004 | Phase 3 |
0.7125 | Intermediate Similarity | NPD6002 | Phase 3 |
0.7125 | Intermediate Similarity | NPD6003 | Clinical (unspecified phase) |
0.7125 | Intermediate Similarity | NPD6005 | Phase 3 |
0.7107 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7105 | Intermediate Similarity | NPD3225 | Approved |
0.7095 | Intermediate Similarity | NPD9545 | Approved |
0.7086 | Intermediate Similarity | NPD1608 | Approved |
0.7081 | Intermediate Similarity | NPD4361 | Phase 2 |
0.7081 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.707 | Intermediate Similarity | NPD943 | Approved |
0.707 | Intermediate Similarity | NPD2979 | Phase 3 |
0.7066 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7066 | Intermediate Similarity | NPD7458 | Discontinued |
0.7059 | Intermediate Similarity | NPD5353 | Approved |
0.7052 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7051 | Intermediate Similarity | NPD3764 | Approved |
0.7051 | Intermediate Similarity | NPD1699 | Clinical (unspecified phase) |
0.7051 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7037 | Intermediate Similarity | NPD1652 | Phase 2 |
0.7027 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7027 | Intermediate Similarity | NPD4363 | Phase 3 |
0.7025 | Intermediate Similarity | NPD6355 | Discontinued |
0.7019 | Intermediate Similarity | NPD2353 | Approved |
0.7019 | Intermediate Similarity | NPD2355 | Clinical (unspecified phase) |
0.7011 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.6995 | Remote Similarity | NPD8397 | Clinical (unspecified phase) |
0.6994 | Remote Similarity | NPD7003 | Approved |
0.6993 | Remote Similarity | NPD1876 | Approved |
0.6988 | Remote Similarity | NPD6273 | Approved |
0.6982 | Remote Similarity | NPD6385 | Approved |
0.6982 | Remote Similarity | NPD6386 | Approved |
0.6975 | Remote Similarity | NPD2424 | Discontinued |
0.6971 | Remote Similarity | NPD7184 | Clinical (unspecified phase) |
0.697 | Remote Similarity | NPD6143 | Clinical (unspecified phase) |
0.697 | Remote Similarity | NPD7390 | Discontinued |
0.6962 | Remote Similarity | NPD3142 | Approved |
0.6962 | Remote Similarity | NPD3140 | Approved |
0.6959 | Remote Similarity | NPD5616 | Clinical (unspecified phase) |
0.6959 | Remote Similarity | NPD9493 | Approved |
0.6957 | Remote Similarity | NPD4477 | Approved |
0.6957 | Remote Similarity | NPD4476 | Approved |
0.6948 | Remote Similarity | NPD1164 | Approved |
0.6943 | Remote Similarity | NPD6798 | Discontinued |
0.6941 | Remote Similarity | NPD37 | Approved |
0.6933 | Remote Similarity | NPD5691 | Approved |
0.6923 | Remote Similarity | NPD4908 | Phase 1 |
0.6919 | Remote Similarity | NPD4966 | Approved |
0.6919 | Remote Similarity | NPD4965 | Approved |
0.6919 | Remote Similarity | NPD4967 | Phase 2 |
0.6918 | Remote Similarity | NPD5535 | Approved |
0.6908 | Remote Similarity | NPD1281 | Approved |
0.6906 | Remote Similarity | NPD8313 | Approved |
0.6906 | Remote Similarity | NPD8312 | Approved |
0.6901 | Remote Similarity | NPD8455 | Phase 2 |
0.6889 | Remote Similarity | NPD6104 | Discontinued |
0.6886 | Remote Similarity | NPD5049 | Phase 3 |
0.6886 | Remote Similarity | NPD2186 | Approved |
0.6879 | Remote Similarity | NPD6971 | Discontinued |
0.6878 | Remote Similarity | NPD8285 | Discontinued |
PubChem CID   | 5471349 |
ChEMBL   | CHEMBL1078442 |
ZINC   |
Molecular Weight:   | 338.15 |
ALogP:   | 2.7618 |
MLogP:   | 3.33 |
XLogP:   | 4.713 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 48.67 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 3 |
# Heavy Atoms:   | 25 |