Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO19935.1 | Evodia rutaecarpa var. officinalis | Varieties | Rutaceae | Eukaryota | TCMID* | |||
NPO19935 | Tetradium ruticarpum | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO6668.1 | Evodia rutaecarpa var. bodinieri | Varieties | Rutaceae | Eukaryota | TCMID* | |||
NPO23360 | Tetradium austrosinense | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO17978 | Evodia baberi | NA | NA | NA | HerDing* | |||
NPO30823 | Evodia rutaecarpa | NA | NA | NA | HerDing* | |||
NPO30823.1 | Evodia rutaecarpa var. bodinieri | Varieties | Rutaceae | Eukaryota | HerDing* | |||
NPO30823.2 | Evodia rutaecarpa var. officinalis | Varieties | Rutaceae | Eukaryota | HerDing* | |||
NPO31078 | Evodia austrosinensis | NA | NA | NA | HerDing* | |||
NPO6001 | Fructus evodiae | NA | NA | NA | HerDing* | |||
NPO6001 | Fructus evodiae | NA | NA | NA | TCMID* | |||
NPO17978 | Evodia baberi | NA | NA | NA | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1603 | Individual Protein | Cytochrome P450 1A1 | Homo sapiens | IC50 | = | 24560 | nM | 12852960 |
NPT208 | Individual Protein | Cytochrome P450 1A2 | Homo sapiens | IC50 | = | 16300 | nM | 12852960 |
NPT1604 | Individual Protein | Cytochrome P450 1B1 | Homo sapiens | IC50 | = | 690 | nM | 12852960 |
NPT2 | Others | Unspecified | IC50 | = | 2 | nM | 12852960 | |
NPT2 | Others | Unspecified | IC50 | = | 0.04 | nM | 12852960 | |
NPT177 | Tissue | Aorta | Rattus norvegicus | EC50 | = | 930 | nM | 8699182 |
NPT177 | Tissue | Aorta | Rattus norvegicus | EC50 | = | 8140 | nM | 8699182 |
NPT177 | Tissue | Aorta | Rattus norvegicus | EC50 | = | 2920 | nM | 8699182 |
NPT2 | Others | Unspecified | Kd | = | 562.34 | nM | 8699182 | |
NPT92 | Individual Protein | Serotonin 1a (5-HT1a) receptor | Homo sapiens | Ki | > | 100000 | nM | 10.1021/np960678l |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 79.5 | % | 9249975 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 68.3 | % | 9249975 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 50.6 | % | 9249975 |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | 12.41 | % | 23062825 |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | 26 | % | 23062825 |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | = | 100000 | nM | 22867019 |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | = | 20200 | nM | 22867019 |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | = | 100000 | nM | 22867019 |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 77.79 | mg/kg | 22867019 |
NPT4542 | Individual Protein | NAD-dependent deacetylase sirtuin 3 | Homo sapiens | Inhibition | = | 21 | % | 24103429 |
NPT1158 | Individual Protein | NAD-dependent deacetylase sirtuin 2 | Homo sapiens | Inhibition | = | 58 | % | 24103429 |
NPT1046 | Individual Protein | NAD-dependent deacetylase sirtuin 1 | Homo sapiens | Inhibition | = | 1.1 | % | 24103429 |
NPT65 | Cell Line | HepG2 | Homo sapiens | Inhibition | = | 76 | % | 24103429 |
NPT83 | Cell Line | MCF7 | Homo sapiens | Inhibition | = | 51 | % | 24103429 |
NPT2 | Others | Unspecified | IC50 | = | 13200 | nM | 24103429 | |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 200000 | nM | 26226379 |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | > | 200000 | nM | 26226379 |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | IC50 | = | 22100 | nM | 26226379 |
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 NPC135601 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 |
---|---|---|
1.0 | High Similarity | NPC141612 |
1.0 | High Similarity | NPC17273 |
0.907 | High Similarity | NPC21429 |
0.9017 | High Similarity | NPC133003 |
0.8603 | High Similarity | NPC324091 |
0.858 | High Similarity | NPC470205 |
0.8391 | Intermediate Similarity | NPC161861 |
0.8258 | Intermediate Similarity | NPC88110 |
0.8256 | Intermediate Similarity | NPC271797 |
0.8256 | Intermediate Similarity | NPC21174 |
0.8242 | Intermediate Similarity | NPC470440 |
0.8192 | Intermediate Similarity | NPC151635 |
0.8182 | Intermediate Similarity | NPC252572 |
0.8171 | Intermediate Similarity | NPC471943 |
0.8107 | Intermediate Similarity | NPC117032 |
0.8063 | Intermediate Similarity | NPC317701 |
0.8043 | Intermediate Similarity | NPC473666 |
0.8022 | Intermediate Similarity | NPC477003 |
0.8011 | Intermediate Similarity | NPC191415 |
0.7989 | Intermediate Similarity | NPC194881 |
0.7979 | Intermediate Similarity | NPC102592 |
0.7979 | Intermediate Similarity | NPC471191 |
0.7979 | Intermediate Similarity | NPC79356 |
0.7957 | Intermediate Similarity | NPC476460 |
0.7944 | Intermediate Similarity | NPC284775 |
0.7919 | Intermediate Similarity | NPC6865 |
0.7919 | Intermediate Similarity | NPC153980 |
0.7907 | Intermediate Similarity | NPC476219 |
0.7872 | Intermediate Similarity | NPC326422 |
0.7869 | Intermediate Similarity | NPC102755 |
0.7868 | Intermediate Similarity | NPC72956 |
0.7865 | Intermediate Similarity | NPC471944 |
0.7831 | Intermediate Similarity | NPC88097 |
0.7819 | Intermediate Similarity | NPC272458 |
0.7784 | Intermediate Similarity | NPC308931 |
0.7784 | Intermediate Similarity | NPC99939 |
0.7772 | Intermediate Similarity | NPC117027 |
0.776 | Intermediate Similarity | NPC16659 |
0.7755 | Intermediate Similarity | NPC243850 |
0.7739 | Intermediate Similarity | NPC471193 |
0.7739 | Intermediate Similarity | NPC471194 |
0.7714 | Intermediate Similarity | NPC76982 |
0.7713 | Intermediate Similarity | NPC472112 |
0.7711 | Intermediate Similarity | NPC471192 |
0.7711 | Intermediate Similarity | NPC470731 |
0.7705 | Intermediate Similarity | NPC265710 |
0.7697 | Intermediate Similarity | NPC42372 |
0.7697 | Intermediate Similarity | NPC115232 |
0.7697 | Intermediate Similarity | NPC198988 |
0.7684 | Intermediate Similarity | NPC304203 |
0.767 | Intermediate Similarity | NPC475990 |
0.767 | Intermediate Similarity | NPC474880 |
0.767 | Intermediate Similarity | NPC221786 |
0.7663 | Intermediate Similarity | NPC91179 |
0.766 | Intermediate Similarity | NPC63199 |
0.766 | Intermediate Similarity | NPC111602 |
0.766 | Intermediate Similarity | NPC102338 |
0.766 | Intermediate Similarity | NPC196251 |
0.7656 | Intermediate Similarity | NPC167710 |
0.7654 | Intermediate Similarity | NPC114637 |
0.765 | Intermediate Similarity | NPC473380 |
0.765 | Intermediate Similarity | NPC240088 |
0.7637 | Intermediate Similarity | NPC293216 |
0.7632 | Intermediate Similarity | NPC472113 |
0.7627 | Intermediate Similarity | NPC229173 |
0.7626 | Intermediate Similarity | NPC116555 |
0.7624 | Intermediate Similarity | NPC322064 |
0.7616 | Intermediate Similarity | NPC21605 |
0.7609 | Intermediate Similarity | NPC11126 |
0.76 | Intermediate Similarity | NPC476297 |
0.7584 | Intermediate Similarity | NPC214106 |
0.7574 | Intermediate Similarity | NPC59084 |
0.7573 | Intermediate Similarity | NPC220851 |
0.7561 | Intermediate Similarity | NPC272174 |
0.7558 | Intermediate Similarity | NPC478186 |
0.7556 | Intermediate Similarity | NPC56233 |
0.7545 | Intermediate Similarity | NPC325252 |
0.7542 | Intermediate Similarity | NPC478184 |
0.7542 | Intermediate Similarity | NPC478182 |
0.754 | Intermediate Similarity | NPC228835 |
0.7536 | Intermediate Similarity | NPC476817 |
0.7529 | Intermediate Similarity | NPC473868 |
0.7529 | Intermediate Similarity | NPC63157 |
0.7524 | Intermediate Similarity | NPC474896 |
0.7512 | Intermediate Similarity | NPC257851 |
0.7512 | Intermediate Similarity | NPC157931 |
0.75 | Intermediate Similarity | NPC204141 |
0.7488 | Intermediate Similarity | NPC31097 |
0.7487 | Intermediate Similarity | NPC477004 |
0.7487 | Intermediate Similarity | NPC237414 |
0.7476 | Intermediate Similarity | NPC66777 |
0.7476 | Intermediate Similarity | NPC323969 |
0.7476 | Intermediate Similarity | NPC471762 |
0.7474 | Intermediate Similarity | NPC175474 |
0.7471 | Intermediate Similarity | NPC115611 |
0.7471 | Intermediate Similarity | NPC2949 |
0.7461 | Intermediate Similarity | NPC19692 |
0.7461 | Intermediate Similarity | NPC220151 |
0.746 | Intermediate Similarity | NPC94752 |
0.7451 | Intermediate Similarity | NPC470732 |
0.7447 | Intermediate Similarity | NPC467063 |
0.7446 | Intermediate Similarity | NPC469529 |
0.7443 | Intermediate Similarity | NPC281094 |
0.7435 | Intermediate Similarity | NPC329858 |
0.7433 | Intermediate Similarity | NPC470677 |
0.7423 | Intermediate Similarity | NPC472116 |
0.7409 | Intermediate Similarity | NPC472295 |
0.7409 | Intermediate Similarity | NPC269886 |
0.7409 | Intermediate Similarity | NPC472210 |
0.7409 | Intermediate Similarity | NPC81802 |
0.7409 | Intermediate Similarity | NPC247735 |
0.7403 | Intermediate Similarity | NPC195507 |
0.7403 | Intermediate Similarity | NPC2165 |
0.7391 | Intermediate Similarity | NPC472123 |
0.7377 | Intermediate Similarity | NPC474897 |
0.7374 | Intermediate Similarity | NPC293487 |
0.7368 | Intermediate Similarity | NPC238499 |
0.7366 | Intermediate Similarity | NPC14325 |
0.7366 | Intermediate Similarity | NPC28848 |
0.736 | Intermediate Similarity | NPC312870 |
0.736 | Intermediate Similarity | NPC254240 |
0.736 | Intermediate Similarity | NPC199851 |
0.736 | Intermediate Similarity | NPC294909 |
0.736 | Intermediate Similarity | NPC128265 |
0.7358 | Intermediate Similarity | NPC216550 |
0.7347 | Intermediate Similarity | NPC52557 |
0.7344 | Intermediate Similarity | NPC314333 |
0.7333 | Intermediate Similarity | NPC472293 |
0.7333 | Intermediate Similarity | NPC245916 |
0.733 | Intermediate Similarity | NPC33421 |
0.733 | Intermediate Similarity | NPC267811 |
0.733 | Intermediate Similarity | NPC17059 |
0.7322 | Intermediate Similarity | NPC317430 |
0.7321 | Intermediate Similarity | NPC327095 |
0.7321 | Intermediate Similarity | NPC312942 |
0.7318 | Intermediate Similarity | NPC299594 |
0.7305 | Intermediate Similarity | NPC475450 |
0.7293 | Intermediate Similarity | NPC242116 |
0.7288 | Intermediate Similarity | NPC470233 |
0.7287 | Intermediate Similarity | NPC469896 |
0.7286 | Intermediate Similarity | NPC40455 |
0.7283 | Intermediate Similarity | NPC20144 |
0.7277 | Intermediate Similarity | NPC470730 |
0.7277 | Intermediate Similarity | NPC477175 |
0.7277 | Intermediate Similarity | NPC478077 |
0.7273 | Intermediate Similarity | NPC157583 |
0.7273 | Intermediate Similarity | NPC195461 |
0.7273 | Intermediate Similarity | NPC79129 |
0.7273 | Intermediate Similarity | NPC249150 |
0.7273 | Intermediate Similarity | NPC81654 |
0.7273 | Intermediate Similarity | NPC313985 |
0.7273 | Intermediate Similarity | NPC49196 |
0.7269 | Intermediate Similarity | NPC477549 |
0.7268 | Intermediate Similarity | NPC472292 |
0.7268 | Intermediate Similarity | NPC470509 |
0.7268 | Intermediate Similarity | NPC471386 |
0.7268 | Intermediate Similarity | NPC47190 |
0.7268 | Intermediate Similarity | NPC478183 |
0.7267 | Intermediate Similarity | NPC284635 |
0.7263 | Intermediate Similarity | NPC258480 |
0.7263 | Intermediate Similarity | NPC472294 |
0.7259 | Intermediate Similarity | NPC50503 |
0.7251 | Intermediate Similarity | NPC19170 |
0.7247 | Intermediate Similarity | NPC200214 |
0.7247 | Intermediate Similarity | NPC325903 |
0.7246 | Intermediate Similarity | NPC22079 |
0.7245 | Intermediate Similarity | NPC128244 |
0.7243 | Intermediate Similarity | NPC475969 |
0.7243 | Intermediate Similarity | NPC475859 |
0.7243 | Intermediate Similarity | NPC6982 |
0.7235 | Intermediate Similarity | NPC218268 |
0.7234 | Intermediate Similarity | NPC219336 |
0.7233 | Intermediate Similarity | NPC477979 |
0.7222 | Intermediate Similarity | NPC220797 |
0.7222 | Intermediate Similarity | NPC474318 |
0.7222 | Intermediate Similarity | NPC475914 |
0.7222 | Intermediate Similarity | NPC268744 |
0.7222 | Intermediate Similarity | NPC201266 |
0.7222 | Intermediate Similarity | NPC153123 |
0.7222 | Intermediate Similarity | NPC472297 |
0.7222 | Intermediate Similarity | NPC472296 |
0.7219 | Intermediate Similarity | NPC280852 |
0.7216 | Intermediate Similarity | NPC201380 |
0.7216 | Intermediate Similarity | NPC179787 |
0.7212 | Intermediate Similarity | NPC250361 |
0.7209 | Intermediate Similarity | NPC165743 |
0.7202 | Intermediate Similarity | NPC103119 |
0.7198 | Intermediate Similarity | NPC470203 |
0.7198 | Intermediate Similarity | NPC478185 |
0.7196 | Intermediate Similarity | NPC73994 |
0.7194 | Intermediate Similarity | NPC294693 |
0.7188 | Intermediate Similarity | NPC66210 |
0.7186 | Intermediate Similarity | NPC13456 |
0.7186 | Intermediate Similarity | NPC166209 |
0.7186 | Intermediate Similarity | NPC473587 |
0.7186 | Intermediate Similarity | NPC77241 |
0.7186 | Intermediate Similarity | NPC269203 |
0.7181 | Intermediate Similarity | NPC217372 |
0.7181 | Intermediate Similarity | NPC183662 |
0.7181 | Intermediate Similarity | NPC237188 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC135601 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 |
---|---|---|---|
0.8272 | Intermediate Similarity | NPD2442 | Approved |
0.8272 | Intermediate Similarity | NPD2443 | Approved |
0.8258 | Intermediate Similarity | NPD5473 | Discontinued |
0.8232 | Intermediate Similarity | NPD4426 | Clinical (unspecified phase) |
0.8222 | Intermediate Similarity | NPD7564 | Discontinued |
0.8207 | Intermediate Similarity | NPD4922 | Phase 2 |
0.8107 | Intermediate Similarity | NPD3248 | Phase 1 |
0.8066 | Intermediate Similarity | NPD3318 | Approved |
0.8066 | Intermediate Similarity | NPD3320 | Approved |
0.8066 | Intermediate Similarity | NPD3319 | Phase 1 |
0.8041 | Intermediate Similarity | NPD2408 | Discontinued |
0.7919 | Intermediate Similarity | NPD7657 | Approved |
0.7919 | Intermediate Similarity | NPD7656 | Approved |
0.7919 | Intermediate Similarity | NPD7594 | Clinical (unspecified phase) |
0.7861 | Intermediate Similarity | NPD6180 | Clinical (unspecified phase) |
0.7838 | Intermediate Similarity | NPD5820 | Clinical (unspecified phase) |
0.7831 | Intermediate Similarity | NPD7619 | Phase 3 |
0.7831 | Intermediate Similarity | NPD7618 | Phase 3 |
0.7802 | Intermediate Similarity | NPD3079 | Approved |
0.7802 | Intermediate Similarity | NPD3077 | Approved |
0.7802 | Intermediate Similarity | NPD3078 | Approved |
0.7802 | Intermediate Similarity | NPD3076 | Approved |
0.7778 | Intermediate Similarity | NPD4863 | Approved |
0.7766 | Intermediate Similarity | NPD5592 | Clinical (unspecified phase) |
0.7755 | Intermediate Similarity | NPD1506 | Discontinued |
0.7744 | Intermediate Similarity | NPD7208 | Approved |
0.7744 | Intermediate Similarity | NPD7209 | Approved |
0.7744 | Intermediate Similarity | NPD7207 | Approved |
0.7742 | Intermediate Similarity | NPD5809 | Phase 3 |
0.7737 | Intermediate Similarity | NPD7406 | Phase 2 |
0.7704 | Intermediate Similarity | NPD2008 | Discontinued |
0.7692 | Intermediate Similarity | NPD4385 | Clinical (unspecified phase) |
0.7692 | Intermediate Similarity | NPD4637 | Clinical (unspecified phase) |
0.7685 | Intermediate Similarity | NPD5198 | Approved |
0.7685 | Intermediate Similarity | NPD5199 | Approved |
0.768 | Intermediate Similarity | NPD3868 | Phase 1 |
0.7672 | Intermediate Similarity | NPD1658 | Discontinued |
0.7656 | Intermediate Similarity | NPD2880 | Discontinued |
0.7656 | Intermediate Similarity | NPD5446 | Phase 2 |
0.765 | Intermediate Similarity | NPD2411 | Approved |
0.765 | Intermediate Similarity | NPD7454 | Approved |
0.765 | Intermediate Similarity | NPD7455 | Approved |
0.7644 | Intermediate Similarity | NPD7024 | Clinical (unspecified phase) |
0.7634 | Intermediate Similarity | NPD3607 | Clinical (unspecified phase) |
0.7627 | Intermediate Similarity | NPD6454 | Clinical (unspecified phase) |
0.7602 | Intermediate Similarity | NPD6176 | Phase 1 |
0.7596 | Intermediate Similarity | NPD4075 | Phase 2 |
0.7577 | Intermediate Similarity | NPD5854 | Approved |
0.7576 | Intermediate Similarity | NPD6838 | Clinical (unspecified phase) |
0.7565 | Intermediate Similarity | NPD6664 | Approved |
0.7563 | Intermediate Similarity | NPD8114 | Approved |
0.7563 | Intermediate Similarity | NPD8115 | Approved |
0.7563 | Intermediate Similarity | NPD6288 | Clinical (unspecified phase) |
0.7549 | Intermediate Similarity | NPD6470 | Phase 3 |
0.7526 | Intermediate Similarity | NPD1982 | Phase 1 |
0.7525 | Intermediate Similarity | NPD6271 | Approved |
0.7514 | Intermediate Similarity | NPD2590 | Clinical (unspecified phase) |
0.7513 | Intermediate Similarity | NPD7023 | Clinical (unspecified phase) |
0.7512 | Intermediate Similarity | NPD6164 | Phase 2 |
0.7512 | Intermediate Similarity | NPD6165 | Phase 2 |
0.7474 | Intermediate Similarity | NPD7175 | Phase 1 |
0.7471 | Intermediate Similarity | NPD3943 | Clinical (unspecified phase) |
0.7461 | Intermediate Similarity | NPD5853 | Phase 3 |
0.7461 | Intermediate Similarity | NPD5855 | Phase 3 |
0.7459 | Intermediate Similarity | NPD4643 | Clinical (unspecified phase) |
0.7443 | Intermediate Similarity | NPD2837 | Discontinued |
0.7437 | Intermediate Similarity | NPD5491 | Phase 3 |
0.7437 | Intermediate Similarity | NPD5489 | Phase 1 |
0.7432 | Intermediate Similarity | NPD6828 | Phase 2 |
0.7432 | Intermediate Similarity | NPD6827 | Clinical (unspecified phase) |
0.7426 | Intermediate Similarity | NPD6567 | Clinical (unspecified phase) |
0.7425 | Intermediate Similarity | NPD3385 | Approved |
0.7423 | Intermediate Similarity | NPD1851 | Clinical (unspecified phase) |
0.7423 | Intermediate Similarity | NPD7027 | Phase 3 |
0.7423 | Intermediate Similarity | NPD4848 | Phase 1 |
0.7411 | Intermediate Similarity | NPD7817 | Phase 1 |
0.7403 | Intermediate Similarity | NPD5744 | Clinical (unspecified phase) |
0.74 | Intermediate Similarity | NPD3905 | Phase 3 |
0.7376 | Intermediate Similarity | NPD7998 | Clinical (unspecified phase) |
0.736 | Intermediate Similarity | NPD4500 | Approved |
0.736 | Intermediate Similarity | NPD4501 | Approved |
0.736 | Intermediate Similarity | NPD8248 | Clinical (unspecified phase) |
0.7347 | Intermediate Similarity | NPD4987 | Clinical (unspecified phase) |
0.7347 | Intermediate Similarity | NPD5467 | Phase 2 |
0.7344 | Intermediate Similarity | NPD4499 | Approved |
0.7341 | Intermediate Similarity | NPD5254 | Discontinued |
0.733 | Intermediate Similarity | NPD3486 | Clinical (unspecified phase) |
0.733 | Intermediate Similarity | NPD4462 | Approved |
0.733 | Intermediate Similarity | NPD4463 | Approved |
0.733 | Intermediate Similarity | NPD6507 | Clinical (unspecified phase) |
0.733 | Intermediate Similarity | NPD4988 | Discontinued |
0.733 | Intermediate Similarity | NPD7394 | Phase 2 |
0.7317 | Intermediate Similarity | NPD5293 | Phase 2 |
0.7296 | Intermediate Similarity | NPD1952 | Discontinued |
0.7293 | Intermediate Similarity | NPD5400 | Approved |
0.7293 | Intermediate Similarity | NPD6771 | Discontinued |
0.7292 | Intermediate Similarity | NPD5016 | Approved |
0.7287 | Intermediate Similarity | NPD2481 | Approved |
0.7287 | Intermediate Similarity | NPD2479 | Phase 3 |
0.7287 | Intermediate Similarity | NPD5146 | Suspended |
0.7287 | Intermediate Similarity | NPD3927 | Phase 2 |
0.7286 | Intermediate Similarity | NPD2879 | Approved |
0.7286 | Intermediate Similarity | NPD2881 | Approved |
0.7273 | Intermediate Similarity | NPD4601 | Approved |
0.7273 | Intermediate Similarity | NPD4600 | Approved |
0.7268 | Intermediate Similarity | NPD3431 | Approved |
0.7268 | Intermediate Similarity | NPD3430 | Approved |
0.7259 | Intermediate Similarity | NPD7204 | Clinical (unspecified phase) |
0.7257 | Intermediate Similarity | NPD1683 | Approved |
0.7255 | Intermediate Similarity | NPD4614 | Clinical (unspecified phase) |
0.725 | Intermediate Similarity | NPD2121 | Clinical (unspecified phase) |
0.7249 | Intermediate Similarity | NPD4011 | Clinical (unspecified phase) |
0.724 | Intermediate Similarity | NPD6141 | Clinical (unspecified phase) |
0.724 | Intermediate Similarity | NPD3246 | Discontinued |
0.7238 | Intermediate Similarity | NPD5001 | Clinical (unspecified phase) |
0.7236 | Intermediate Similarity | NPD7727 | Phase 2 |
0.7231 | Intermediate Similarity | NPD4348 | Clinical (unspecified phase) |
0.7228 | Intermediate Similarity | NPD1292 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD2405 | Phase 3 |
0.7222 | Intermediate Similarity | NPD7308 | Discontinued |
0.7216 | Intermediate Similarity | NPD6630 | Clinical (unspecified phase) |
0.7206 | Intermediate Similarity | NPD4051 | Discontinued |
0.7204 | Intermediate Similarity | NPD4112 | Clinical (unspecified phase) |
0.7198 | Intermediate Similarity | NPD3389 | Approved |
0.7198 | Intermediate Similarity | NPD3393 | Approved |
0.7198 | Intermediate Similarity | NPD3394 | Approved |
0.7196 | Intermediate Similarity | NPD1291 | Clinical (unspecified phase) |
0.7192 | Intermediate Similarity | NPD2509 | Approved |
0.7192 | Intermediate Similarity | NPD6459 | Phase 2 |
0.7192 | Intermediate Similarity | NPD2510 | Approved |
0.7188 | Intermediate Similarity | NPD4940 | Approved |
0.7184 | Intermediate Similarity | NPD6787 | Phase 2 |
0.7184 | Intermediate Similarity | NPD8094 | Discontinued |
0.7182 | Intermediate Similarity | NPD2214 | Approved |
0.7182 | Intermediate Similarity | NPD2213 | Approved |
0.7178 | Intermediate Similarity | NPD7568 | Phase 1 |
0.7167 | Intermediate Similarity | NPD2150 | Discontinued |
0.7166 | Intermediate Similarity | NPD4883 | Approved |
0.7165 | Intermediate Similarity | NPD1905 | Clinical (unspecified phase) |
0.7158 | Intermediate Similarity | NPD3323 | Discontinued |
0.7158 | Intermediate Similarity | NPD3583 | Phase 2 |
0.715 | Intermediate Similarity | NPD2009 | Clinical (unspecified phase) |
0.715 | Intermediate Similarity | NPD4948 | Discontinued |
0.715 | Intermediate Similarity | NPD3961 | Discontinued |
0.7143 | Intermediate Similarity | NPD8493 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD6210 | Phase 3 |
0.7136 | Intermediate Similarity | NPD6248 | Phase 2 |
0.7136 | Intermediate Similarity | NPD6249 | Phase 2 |
0.7136 | Intermediate Similarity | NPD7195 | Clinical (unspecified phase) |
0.7128 | Intermediate Similarity | NPD7434 | Approved |
0.7128 | Intermediate Similarity | NPD5104 | Approved |
0.7126 | Intermediate Similarity | NPD1722 | Approved |
0.7123 | Intermediate Similarity | NPD7661 | Clinical (unspecified phase) |
0.712 | Intermediate Similarity | NPD2915 | Discontinued |
0.712 | Intermediate Similarity | NPD7401 | Clinical (unspecified phase) |
0.7114 | Intermediate Similarity | NPD6269 | Clinical (unspecified phase) |
0.7114 | Intermediate Similarity | NPD7724 | Phase 2 |
0.7114 | Intermediate Similarity | NPD6268 | Phase 1 |
0.7113 | Intermediate Similarity | NPD1284 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD6285 | Phase 2 |
0.7109 | Intermediate Similarity | NPD4854 | Phase 3 |
0.7108 | Intermediate Similarity | NPD6474 | Phase 2 |
0.7107 | Intermediate Similarity | NPD5464 | Approved |
0.7105 | Intermediate Similarity | NPD6277 | Clinical (unspecified phase) |
0.7098 | Intermediate Similarity | NPD5444 | Phase 1 |
0.7098 | Intermediate Similarity | NPD6217 | Discontinued |
0.7095 | Intermediate Similarity | NPD5965 | Clinical (unspecified phase) |
0.7092 | Intermediate Similarity | NPD1896 | Approved |
0.7092 | Intermediate Similarity | NPD5505 | Discontinued |
0.709 | Intermediate Similarity | NPD4181 | Approved |
0.7086 | Intermediate Similarity | NPD5918 | Discontinued |
0.7081 | Intermediate Similarity | NPD8000 | Clinical (unspecified phase) |
0.7079 | Intermediate Similarity | NPD4374 | Clinical (unspecified phase) |
0.7074 | Intermediate Similarity | NPD5065 | Approved |
0.7065 | Intermediate Similarity | NPD6837 | Clinical (unspecified phase) |
0.7056 | Intermediate Similarity | NPD460 | Discontinued |
0.7044 | Intermediate Similarity | NPD5901 | Discontinued |
0.7044 | Intermediate Similarity | NPD5000 | Phase 2 |
0.7043 | Intermediate Similarity | NPD1343 | Approved |
0.7039 | Intermediate Similarity | NPD6204 | Clinical (unspecified phase) |
0.7033 | Intermediate Similarity | NPD4326 | Phase 2 |
0.7031 | Intermediate Similarity | NPD5728 | Clinical (unspecified phase) |
0.703 | Intermediate Similarity | NPD4924 | Clinical (unspecified phase) |
0.7026 | Intermediate Similarity | NPD4334 | Discontinued |
0.7024 | Intermediate Similarity | NPD7665 | Phase 2 |
0.7024 | Intermediate Similarity | NPD7666 | Phase 3 |
0.7022 | Intermediate Similarity | NPD4547 | Phase 3 |
0.7017 | Intermediate Similarity | NPD7072 | Phase 2 |
0.7011 | Intermediate Similarity | NPD1853 | Clinical (unspecified phase) |
0.7011 | Intermediate Similarity | NPD786 | Approved |
0.701 | Intermediate Similarity | NPD7026 | Phase 2 |
0.7005 | Intermediate Similarity | NPD5475 | Discontinued |
0.6995 | Remote Similarity | NPD7483 | Phase 2 |
0.6995 | Remote Similarity | NPD6178 | Phase 3 |
0.6995 | Remote Similarity | NPD7482 | Phase 2 |
0.6994 | Remote Similarity | NPD1262 | Discovery |
0.699 | Remote Similarity | NPD1600 | Suspended |
0.699 | Remote Similarity | NPD5685 | Approved |
0.699 | Remote Similarity | NPD5686 | Approved |
0.6986 | Remote Similarity | NPD8242 | Clinical (unspecified phase) |
PubChem CID   | 6971167 |
ChEMBL   | CHEMBL486598 |
ZINC   |
Molecular Weight:   | 303.14 |
ALogP:   | -0.5403 |
MLogP:   | 3.11 |
XLogP:   | 3.89 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 39.34 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 5 |
# Heavy Atoms:   | 23 |