Natural Product ID:   | NPC313274 |
Common Name:   | (7S,9R,10R)-7,10-Bis[[4-(Dimethylamino)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy]-9-Ethyl-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione |
IUPAC Name:   | (7S,9R,10R)-7,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
Synonyms:   | |
Molecular Formula:   | C36H48N2O12 |
Standard InCHIKey:   | NWPIUETWDSWOKV-QROLFQDOSA-N |
Standard InCHI:   | InChI=1S/C36H48N2O12/c1-8-36(46)14-21(49-22-12-18(37(4)5)29(40)15(2)47-22)25-28(35(36)50-23-13-19(38(6)7)30(41)16(3)48-23)34(45)26-27(33(25)44)32(43)24-17(31(26)42)10-9-11-20(24)39/h9-11,15-16,18-19,21-23,29-30,35,39-41,44-46H,8,12-14H2,1-7H3/t15?,16?,18?,19?,21-,22?,23?,29?,30?,35+,36+/m0/s1 |
Canonical SMILES:   | CC[C@@]1(O)C[C@H](OC2OC(C)C(C(C2)N(C)C)O)c2c([C@H]1OC1OC(C)C(C(C1)N(C)C)O)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2O |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0000265 ; |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 53.95 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 36.31 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 57.02 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 26.55 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 27.54 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 70.96 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 86.9 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 53.09 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 181.55 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 42.36 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 32.28 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 26.67 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 11.99 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 51.05 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 40.36 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 81.66 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 177.42 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 26.42 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 27.42 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 83.75 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 34.12 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 39.99 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 47.32 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 38.46 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 37.76 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 14.39 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 27.99 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 35.73 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 40.93 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 41.21 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 40.93 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 20.84 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 41.02 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 22.7 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 30.55 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 19.54 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 28.44 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 24.72 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 58.48 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 60.26 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 32.14 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 98.4 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 36.06 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 39.72 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 59.98 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 25.29 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 17.99 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 19.54 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 34.12 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 39.99 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 70.63 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 57.68 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 145.55 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 19.63 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 68.71 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 21.93 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 22.39 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 37.33 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 25.53 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 32.06 | 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 NPC313274 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 |
---|---|---|
0.9611 | High Similarity | NPC42286 |
0.9409 | High Similarity | NPC315889 |
0.9351 | High Similarity | NPC314941 |
0.9062 | High Similarity | NPC315253 |
0.9027 | High Similarity | NPC315351 |
0.9027 | High Similarity | NPC316412 |
0.893 | High Similarity | NPC109403 |
0.893 | High Similarity | NPC261012 |
0.893 | High Similarity | NPC314738 |
0.8757 | High Similarity | NPC478020 |
0.8757 | High Similarity | NPC478022 |
0.8619 | High Similarity | NPC294501 |
0.8564 | High Similarity | NPC478021 |
0.8525 | High Similarity | NPC19056 |
0.8525 | High Similarity | NPC470583 |
0.849 | Intermediate Similarity | NPC316164 |
0.8473 | Intermediate Similarity | NPC252156 |
0.8432 | Intermediate Similarity | NPC115447 |
0.8432 | Intermediate Similarity | NPC266513 |
0.8432 | Intermediate Similarity | NPC470581 |
0.8432 | Intermediate Similarity | NPC470582 |
0.8415 | Intermediate Similarity | NPC270027 |
0.8415 | Intermediate Similarity | NPC183441 |
0.841 | Intermediate Similarity | NPC314946 |
0.8387 | Intermediate Similarity | NPC187441 |
0.8387 | Intermediate Similarity | NPC283980 |
0.8387 | Intermediate Similarity | NPC58538 |
0.8387 | Intermediate Similarity | NPC72783 |
0.8378 | Intermediate Similarity | NPC102053 |
0.8371 | Intermediate Similarity | NPC53139 |
0.8367 | Intermediate Similarity | NPC314596 |
0.8361 | Intermediate Similarity | NPC470580 |
0.8342 | Intermediate Similarity | NPC108487 |
0.8333 | Intermediate Similarity | NPC83331 |
0.8324 | Intermediate Similarity | NPC70862 |
0.8307 | Intermediate Similarity | NPC87583 |
0.8306 | Intermediate Similarity | NPC175477 |
0.8298 | Intermediate Similarity | NPC313452 |
0.828 | Intermediate Similarity | NPC289876 |
0.828 | Intermediate Similarity | NPC46958 |
0.828 | Intermediate Similarity | NPC475246 |
0.828 | Intermediate Similarity | NPC176246 |
0.827 | Intermediate Similarity | NPC203751 |
0.8254 | Intermediate Similarity | NPC292706 |
0.8254 | Intermediate Similarity | NPC224557 |
0.8247 | Intermediate Similarity | NPC133775 |
0.8245 | Intermediate Similarity | NPC475161 |
0.8245 | Intermediate Similarity | NPC477860 |
0.8245 | Intermediate Similarity | NPC315221 |
0.8242 | Intermediate Similarity | NPC329647 |
0.8242 | Intermediate Similarity | NPC478026 |
0.8242 | Intermediate Similarity | NPC470735 |
0.8232 | Intermediate Similarity | NPC187934 |
0.8232 | Intermediate Similarity | NPC97637 |
0.8226 | Intermediate Similarity | NPC3718 |
0.8212 | Intermediate Similarity | NPC206641 |
0.8212 | Intermediate Similarity | NPC208651 |
0.8191 | Intermediate Similarity | NPC153578 |
0.8191 | Intermediate Similarity | NPC114257 |
0.8191 | Intermediate Similarity | NPC299149 |
0.8191 | Intermediate Similarity | NPC277710 |
0.8177 | Intermediate Similarity | NPC314672 |
0.8172 | Intermediate Similarity | NPC85368 |
0.8172 | Intermediate Similarity | NPC65118 |
0.8148 | Intermediate Similarity | NPC85316 |
0.8148 | Intermediate Similarity | NPC197357 |
0.8118 | Intermediate Similarity | NPC5029 |
0.8118 | Intermediate Similarity | NPC30432 |
0.8118 | Intermediate Similarity | NPC111536 |
0.8118 | Intermediate Similarity | NPC76128 |
0.8118 | Intermediate Similarity | NPC271385 |
0.8118 | Intermediate Similarity | NPC315619 |
0.8108 | Intermediate Similarity | NPC246274 |
0.8105 | Intermediate Similarity | NPC329790 |
0.8101 | Intermediate Similarity | NPC3449 |
0.8085 | Intermediate Similarity | NPC475233 |
0.8075 | Intermediate Similarity | NPC199357 |
0.8073 | Intermediate Similarity | NPC105591 |
0.8071 | Intermediate Similarity | NPC131405 |
0.8056 | Intermediate Similarity | NPC283480 |
0.8056 | Intermediate Similarity | NPC148323 |
0.8054 | Intermediate Similarity | NPC103633 |
0.8054 | Intermediate Similarity | NPC63470 |
0.8033 | Intermediate Similarity | NPC212099 |
0.8033 | Intermediate Similarity | NPC278329 |
0.8033 | Intermediate Similarity | NPC146837 |
0.8033 | Intermediate Similarity | NPC101116 |
0.8032 | Intermediate Similarity | NPC68381 |
0.8021 | Intermediate Similarity | NPC241847 |
0.8011 | Intermediate Similarity | NPC222455 |
0.8 | Intermediate Similarity | NPC245059 |
0.8 | Intermediate Similarity | NPC192219 |
0.8 | Intermediate Similarity | NPC82190 |
0.8 | Intermediate Similarity | NPC212290 |
0.8 | Intermediate Similarity | NPC84494 |
0.8 | Intermediate Similarity | NPC174599 |
0.7989 | Intermediate Similarity | NPC198893 |
0.7989 | Intermediate Similarity | NPC314489 |
0.7989 | Intermediate Similarity | NPC232818 |
0.7979 | Intermediate Similarity | NPC472054 |
0.7979 | Intermediate Similarity | NPC98776 |
0.7979 | Intermediate Similarity | NPC213052 |
0.7961 | Intermediate Similarity | NPC313582 |
0.7958 | Intermediate Similarity | NPC470452 |
0.7958 | Intermediate Similarity | NPC164047 |
0.7958 | Intermediate Similarity | NPC470448 |
0.7958 | Intermediate Similarity | NPC470453 |
0.7949 | Intermediate Similarity | NPC264302 |
0.7946 | Intermediate Similarity | NPC297404 |
0.7946 | Intermediate Similarity | NPC11608 |
0.7946 | Intermediate Similarity | NPC178281 |
0.7944 | Intermediate Similarity | NPC218870 |
0.7944 | Intermediate Similarity | NPC474622 |
0.7944 | Intermediate Similarity | NPC470408 |
0.7944 | Intermediate Similarity | NPC205172 |
0.7944 | Intermediate Similarity | NPC209393 |
0.7944 | Intermediate Similarity | NPC182921 |
0.7944 | Intermediate Similarity | NPC474824 |
0.7944 | Intermediate Similarity | NPC474621 |
0.7937 | Intermediate Similarity | NPC146803 |
0.7937 | Intermediate Similarity | NPC307754 |
0.7937 | Intermediate Similarity | NPC223735 |
0.7927 | Intermediate Similarity | NPC475352 |
0.7927 | Intermediate Similarity | NPC475220 |
0.7927 | Intermediate Similarity | NPC473686 |
0.7927 | Intermediate Similarity | NPC221140 |
0.7927 | Intermediate Similarity | NPC229817 |
0.7923 | Intermediate Similarity | NPC284495 |
0.7917 | Intermediate Similarity | NPC475662 |
0.7917 | Intermediate Similarity | NPC478001 |
0.7917 | Intermediate Similarity | NPC476203 |
0.7917 | Intermediate Similarity | NPC293227 |
0.7917 | Intermediate Similarity | NPC473631 |
0.7917 | Intermediate Similarity | NPC473717 |
0.7895 | Intermediate Similarity | NPC76112 |
0.7895 | Intermediate Similarity | NPC170018 |
0.7895 | Intermediate Similarity | NPC92403 |
0.7895 | Intermediate Similarity | NPC66820 |
0.7885 | Intermediate Similarity | NPC170101 |
0.7884 | Intermediate Similarity | NPC470438 |
0.7872 | Intermediate Similarity | NPC298778 |
0.7865 | Intermediate Similarity | NPC208069 |
0.7861 | Intermediate Similarity | NPC107009 |
0.7857 | Intermediate Similarity | NPC474861 |
0.7857 | Intermediate Similarity | NPC478027 |
0.7857 | Intermediate Similarity | NPC321046 |
0.7853 | Intermediate Similarity | NPC285122 |
0.7846 | Intermediate Similarity | NPC205721 |
0.7846 | Intermediate Similarity | NPC473618 |
0.7842 | Intermediate Similarity | NPC470454 |
0.7842 | Intermediate Similarity | NPC199533 |
0.7842 | Intermediate Similarity | NPC63105 |
0.7842 | Intermediate Similarity | NPC470667 |
0.7842 | Intermediate Similarity | NPC186800 |
0.7838 | Intermediate Similarity | NPC216752 |
0.7828 | Intermediate Similarity | NPC314687 |
0.7826 | Intermediate Similarity | NPC321226 |
0.7826 | Intermediate Similarity | NPC478046 |
0.7826 | Intermediate Similarity | NPC180210 |
0.7826 | Intermediate Similarity | NPC314914 |
0.7826 | Intermediate Similarity | NPC478047 |
0.7826 | Intermediate Similarity | NPC328856 |
0.7824 | Intermediate Similarity | NPC473883 |
0.7819 | Intermediate Similarity | NPC137460 |
0.7819 | Intermediate Similarity | NPC259905 |
0.7817 | Intermediate Similarity | NPC470199 |
0.7817 | Intermediate Similarity | NPC314459 |
0.7814 | Intermediate Similarity | NPC257309 |
0.7807 | Intermediate Similarity | NPC469419 |
0.7807 | Intermediate Similarity | NPC70441 |
0.7807 | Intermediate Similarity | NPC178851 |
0.7802 | Intermediate Similarity | NPC266469 |
0.7796 | Intermediate Similarity | NPC17432 |
0.7795 | Intermediate Similarity | NPC179947 |
0.779 | Intermediate Similarity | NPC478220 |
0.779 | Intermediate Similarity | NPC474533 |
0.779 | Intermediate Similarity | NPC474534 |
0.7789 | Intermediate Similarity | NPC470336 |
0.7789 | Intermediate Similarity | NPC168789 |
0.7789 | Intermediate Similarity | NPC470335 |
0.7788 | Intermediate Similarity | NPC316368 |
0.7788 | Intermediate Similarity | NPC284236 |
0.7778 | Intermediate Similarity | NPC44558 |
0.7778 | Intermediate Similarity | NPC478048 |
0.7778 | Intermediate Similarity | NPC241874 |
0.7766 | Intermediate Similarity | NPC48474 |
0.7766 | Intermediate Similarity | NPC234497 |
0.7766 | Intermediate Similarity | NPC472058 |
0.7766 | Intermediate Similarity | NPC324522 |
0.7766 | Intermediate Similarity | NPC105414 |
0.7766 | Intermediate Similarity | NPC470341 |
0.776 | Intermediate Similarity | NPC472387 |
0.776 | Intermediate Similarity | NPC469418 |
0.7754 | Intermediate Similarity | NPC99216 |
0.7749 | Intermediate Similarity | NPC102028 |
0.7749 | Intermediate Similarity | NPC474345 |
0.7742 | Intermediate Similarity | NPC478229 |
0.7739 | Intermediate Similarity | NPC316274 |
0.7739 | Intermediate Similarity | NPC470196 |
0.7739 | Intermediate Similarity | NPC470193 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC313274 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 |
---|---|---|---|
0.9409 | High Similarity | NPD7701 | Phase 2 |
0.9351 | High Similarity | NPD8320 | Phase 1 |
0.9351 | High Similarity | NPD8319 | Approved |
0.9235 | High Similarity | NPD7699 | Phase 2 |
0.9235 | High Similarity | NPD7700 | Phase 2 |
0.9071 | High Similarity | NPD6535 | Approved |
0.9071 | High Similarity | NPD6534 | Approved |
0.8989 | High Similarity | NPD7697 | Approved |
0.8989 | High Similarity | NPD7696 | Phase 3 |
0.8989 | High Similarity | NPD7698 | Approved |
0.893 | High Similarity | NPD6779 | Approved |
0.893 | High Similarity | NPD6777 | Approved |
0.893 | High Similarity | NPD6776 | Approved |
0.893 | High Similarity | NPD6782 | Approved |
0.893 | High Similarity | NPD6781 | Approved |
0.893 | High Similarity | NPD6780 | Approved |
0.893 | High Similarity | NPD6778 | Approved |
0.8895 | High Similarity | NPD7211 | Clinical (unspecified phase) |
0.886 | High Similarity | NPD7801 | Approved |
0.8842 | High Similarity | NPD7871 | Phase 2 |
0.8842 | High Similarity | NPD7870 | Phase 2 |
0.8808 | High Similarity | NPD7875 | Clinical (unspecified phase) |
0.8808 | High Similarity | NPD7874 | Approved |
0.8737 | High Similarity | NPD6823 | Phase 2 |
0.865 | High Similarity | NPD8155 | Clinical (unspecified phase) |
0.8529 | High Similarity | NPD8059 | Phase 3 |
0.8529 | High Similarity | NPD8058 | Clinical (unspecified phase) |
0.8497 | Intermediate Similarity | NPD7435 | Discontinued |
0.8469 | Intermediate Similarity | NPD8151 | Discontinued |
0.8457 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.8316 | Intermediate Similarity | NPD6213 | Phase 3 |
0.8316 | Intermediate Similarity | NPD6212 | Phase 3 |
0.8316 | Intermediate Similarity | NPD6214 | Clinical (unspecified phase) |
0.8291 | Intermediate Similarity | NPD7783 | Phase 2 |
0.8291 | Intermediate Similarity | NPD7782 | Clinical (unspecified phase) |
0.8053 | Intermediate Similarity | NPD8150 | Discontinued |
0.7895 | Intermediate Similarity | NPD8312 | Approved |
0.7895 | Intermediate Similarity | NPD8313 | Approved |
0.7739 | Intermediate Similarity | NPD8285 | Discontinued |
0.7729 | Intermediate Similarity | NPD7930 | Approved |
0.7692 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7632 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.7592 | Intermediate Similarity | NPD7074 | Phase 3 |
0.7565 | Intermediate Similarity | NPD5026 | Approved |
0.7565 | Intermediate Similarity | NPD36 | Approved |
0.7565 | Intermediate Similarity | NPD4954 | Approved |
0.7565 | Intermediate Similarity | NPD5028 | Approved |
0.7565 | Intermediate Similarity | NPD4955 | Approved |
0.7565 | Intermediate Similarity | NPD5034 | Approved |
0.7539 | Intermediate Similarity | NPD7054 | Approved |
0.7513 | Intermediate Similarity | NPD5030 | Phase 2 |
0.7513 | Intermediate Similarity | NPD8360 | Approved |
0.7513 | Intermediate Similarity | NPD8361 | Approved |
0.7512 | Intermediate Similarity | NPD7999 | Approved |
0.75 | Intermediate Similarity | NPD5037 | Approved |
0.75 | Intermediate Similarity | NPD7472 | Approved |
0.75 | Intermediate Similarity | NPD5038 | Approved |
0.7474 | Intermediate Similarity | NPD7808 | Phase 3 |
0.7449 | Intermediate Similarity | NPD5036 | Approved |
0.7448 | Intermediate Similarity | NPD8470 | Clinical (unspecified phase) |
0.7438 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.7438 | Intermediate Similarity | NPD8486 | Clinical (unspecified phase) |
0.7433 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.7424 | Intermediate Similarity | NPD8435 | Approved |
0.7423 | Intermediate Similarity | NPD7251 | Discontinued |
0.7423 | Intermediate Similarity | NPD8368 | Discontinued |
0.7407 | Intermediate Similarity | NPD6959 | Discontinued |
0.7403 | Intermediate Similarity | NPD8389 | Clinical (unspecified phase) |
0.7398 | Intermediate Similarity | NPD8407 | Phase 2 |
0.7371 | Intermediate Similarity | NPD6797 | Phase 2 |
0.7344 | Intermediate Similarity | NPD7473 | Discontinued |
0.7333 | Intermediate Similarity | NPD6559 | Discontinued |
0.7308 | Intermediate Similarity | NPD6973 | Clinical (unspecified phase) |
0.7308 | Intermediate Similarity | NPD7584 | Approved |
0.7306 | Intermediate Similarity | NPD3751 | Discontinued |
0.7306 | Intermediate Similarity | NPD3818 | Discontinued |
0.7304 | Intermediate Similarity | NPD7237 | Clinical (unspecified phase) |
0.7297 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7296 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.7291 | Intermediate Similarity | NPD8485 | Approved |
0.7277 | Intermediate Similarity | NPD5711 | Approved |
0.7277 | Intermediate Similarity | NPD5710 | Approved |
0.7277 | Intermediate Similarity | NPD6232 | Discontinued |
0.7268 | Intermediate Similarity | NPD5844 | Phase 1 |
0.7259 | Intermediate Similarity | NPD5035 | Approved |
0.7245 | Intermediate Similarity | NPD5029 | Approved |
0.7245 | Intermediate Similarity | NPD5031 | Approved |
0.7245 | Intermediate Similarity | NPD5027 | Approved |
0.7219 | Intermediate Similarity | NPD6844 | Discontinued |
0.7208 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7202 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7202 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7202 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7189 | Intermediate Similarity | NPD7907 | Approved |
0.7188 | Intermediate Similarity | NPD3787 | Discontinued |
0.7186 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.7181 | Intermediate Similarity | NPD7819 | Suspended |
0.7163 | Intermediate Similarity | NPD7497 | Discontinued |
0.715 | Intermediate Similarity | NPD8424 | Clinical (unspecified phase) |
0.7128 | Intermediate Similarity | NPD7228 | Approved |
0.7128 | Intermediate Similarity | NPD7177 | Discontinued |
0.7123 | Intermediate Similarity | NPD5619 | Clinical (unspecified phase) |
0.7115 | Intermediate Similarity | NPD5005 | Approved |
0.7115 | Intermediate Similarity | NPD5006 | Approved |
0.7109 | Intermediate Similarity | NPD7585 | Approved |
0.709 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7087 | Intermediate Similarity | NPD4420 | Approved |
0.7083 | Intermediate Similarity | NPD5494 | Approved |
0.7083 | Intermediate Similarity | NPD8404 | Phase 2 |
0.7079 | Intermediate Similarity | NPD6836 | Approved |
0.7068 | Intermediate Similarity | NPD7075 | Discontinued |
0.7065 | Intermediate Similarity | NPD7390 | Discontinued |
0.7062 | Intermediate Similarity | NPD7583 | Approved |
0.7053 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.7044 | Intermediate Similarity | NPD3808 | Clinical (unspecified phase) |
0.7024 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7024 | Intermediate Similarity | NPD4363 | Phase 3 |
0.702 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.7019 | Intermediate Similarity | NPD4914 | Approved |
0.7018 | Intermediate Similarity | NPD4665 | Approved |
0.7018 | Intermediate Similarity | NPD4111 | Phase 1 |
0.701 | Intermediate Similarity | NPD5968 | Phase 3 |
0.7 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD8455 | Phase 2 |
0.6986 | Remote Similarity | NPD2494 | Approved |
0.6986 | Remote Similarity | NPD2493 | Approved |
0.6985 | Remote Similarity | NPD5039 | Approved |
0.6982 | Remote Similarity | NPD8491 | Approved |
0.6971 | Remote Similarity | NPD7565 | Approved |
0.6968 | Remote Similarity | NPD3226 | Approved |
0.6968 | Remote Similarity | NPD7458 | Discontinued |
0.6965 | Remote Similarity | NPD7090 | Clinical (unspecified phase) |
0.6957 | Remote Similarity | NPD7282 | Approved |
0.6955 | Remote Similarity | NPD8366 | Approved |
0.6954 | Remote Similarity | NPD7893 | Clinical (unspecified phase) |
0.695 | Remote Similarity | NPD5032 | Approved |
0.6947 | Remote Similarity | NPD1934 | Approved |
0.6939 | Remote Similarity | NPD7852 | Clinical (unspecified phase) |
0.6927 | Remote Similarity | NPD4868 | Clinical (unspecified phase) |
0.6911 | Remote Similarity | NPD2801 | Approved |
0.6911 | Remote Similarity | NPD7096 | Clinical (unspecified phase) |
0.6905 | Remote Similarity | NPD3452 | Approved |
0.6905 | Remote Similarity | NPD3450 | Approved |
0.69 | Remote Similarity | NPD7685 | Pre-registration |
0.6897 | Remote Similarity | NPD8434 | Phase 2 |
0.6887 | Remote Similarity | NPD4583 | Approved |
0.6887 | Remote Similarity | NPD4582 | Approved |
0.6884 | Remote Similarity | NPD4956 | Approved |
0.6878 | Remote Similarity | NPD6591 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD2974 | Approved |
0.6875 | Remote Similarity | NPD5402 | Approved |
0.6875 | Remote Similarity | NPD2975 | Approved |
0.6875 | Remote Similarity | NPD2973 | Approved |
0.6872 | Remote Similarity | NPD4387 | Approved |
0.6872 | Remote Similarity | NPD4386 | Approved |
0.6851 | Remote Similarity | NPD8152 | Approved |
0.6851 | Remote Similarity | NPD8153 | Approved |
0.6847 | Remote Similarity | NPD6997 | Phase 2 |
0.6845 | Remote Similarity | NPD7422 | Clinical (unspecified phase) |
0.6844 | Remote Similarity | NPD7654 | Discontinued |
0.684 | Remote Similarity | NPD4004 | Approved |
0.684 | Remote Similarity | NPD4002 | Approved |
0.6831 | Remote Similarity | NPD7266 | Discontinued |
0.6827 | Remote Similarity | NPD4361 | Phase 2 |
0.6827 | Remote Similarity | NPD4362 | Clinical (unspecified phase) |
0.6816 | Remote Similarity | NPD7240 | Approved |
0.681 | Remote Similarity | NPD5544 | Approved |
0.6806 | Remote Similarity | NPD7411 | Suspended |
0.6806 | Remote Similarity | NPD6386 | Approved |
0.6806 | Remote Similarity | NPD6385 | Approved |
0.6802 | Remote Similarity | NPD5242 | Approved |
0.6789 | Remote Similarity | NPD2649 | Approved |
0.6789 | Remote Similarity | NPD2651 | Approved |
0.6788 | Remote Similarity | NPD5353 | Approved |
0.6784 | Remote Similarity | NPD7799 | Discontinued |
0.678 | Remote Similarity | NPD7906 | Approved |
0.6777 | Remote Similarity | NPD4580 | Approved |
0.6776 | Remote Similarity | NPD5408 | Approved |
0.6776 | Remote Similarity | NPD5406 | Approved |
0.6776 | Remote Similarity | NPD5404 | Approved |
0.6776 | Remote Similarity | NPD5405 | Approved |
0.6774 | Remote Similarity | NPD6190 | Approved |
0.6771 | Remote Similarity | NPD37 | Approved |
0.6771 | Remote Similarity | NPD6801 | Discontinued |
0.6769 | Remote Similarity | NPD6234 | Discontinued |
0.6766 | Remote Similarity | NPD3823 | Discontinued |
0.6755 | Remote Similarity | NPD2532 | Approved |
0.6755 | Remote Similarity | NPD2533 | Approved |
0.6755 | Remote Similarity | NPD7410 | Clinical (unspecified phase) |
0.6755 | Remote Similarity | NPD2534 | Approved |
0.6753 | Remote Similarity | NPD4967 | Phase 2 |
0.6753 | Remote Similarity | NPD4966 | Approved |
0.6753 | Remote Similarity | NPD4965 | Approved |
0.6753 | Remote Similarity | NPD7768 | Phase 2 |
0.675 | Remote Similarity | NPD6020 | Phase 2 |
0.6734 | Remote Similarity | NPD5033 | Approved |
0.6733 | Remote Similarity | NPD7039 | Approved |
0.6733 | Remote Similarity | NPD7038 | Approved |
0.6732 | Remote Similarity | NPD3863 | Clinical (unspecified phase) |
0.6727 | Remote Similarity | NPD7047 | Phase 3 |
PubChem CID   | 5351236 |
ChEMBL   | CHEMBL1978022 |
ZINC   |
Molecular Weight:   | 700.32 |
ALogP:   | -4.3484 |
MLogP:   | 3.88 |
XLogP:   | -0.716 |
# Rotatable Bonds:   | 20 |
Polar Surface Area:   | 198.92 |
# H-Bond Aceptor:   | 11 |
# H-Bond Donor:   | 6 |
# Rings:   | 6 |
# Heavy Atoms:   | 50 |