Natural Product ID:   | NPC314596 |
Common Name:   | 10-[4-(Dimethylamino)-5-Hydroxy-4,6-Dimethyloxan-2-Yl]-8-[4-(Dimethylamino)-5-Hydroxy-6-Methyloxan-2-Yl]-11-Hydroxy-5-Methyl-2-[2-Methyl-3-(3-Methyloxiran-2-Yl)Oxiran-2-Yl]Naphtho[2,3-H]Chromene-4,7,12-Trione |
IUPAC Name:   | 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione |
Synonyms:   | |
Molecular Formula:   | C41H50N2O11 |
Standard InCHIKey:   | RZOFHOWMWMTHDX-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3 |
Canonical SMILES:   | CN(C1CC(OC(C1O)C)c1cc(C2OC(C)C(C(C2)(C)N(C)C)O)c(c2c1C(=O)c1cc(C)c3c(c1C2=O)oc(cc3=O)C1(C)OC1C1OC1C)O)C |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0000233 ; |
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO24529 | Streptomyces griseoruber | Species | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 0.01 | nM | PubChem BioAssay data set | |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 0.1358 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 0.04395 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 0.5572 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 0.7328 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 0.06855 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 0.5309 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 1.122 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 0.1905 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 0.05794 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 0.1178 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 0.04102 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 0.08954 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT572 | Cell Line | DMS-273 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 0.227 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 0.06166 | nM | PubChem BioAssay data set | |
NPT573 | Cell Line | M19-MEL | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 0.1972 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 2.754 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT574 | Cell Line | XF498 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 0.0826 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 0.271 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 0.4188 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 0.04178 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 0.5875 | nM | PubChem BioAssay data set | |
NPT168 | Cell Line | P388 | Mus musculus | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 0.1102 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 4.446 | nM | PubChem BioAssay data set | |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 0.1396 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 0.01542 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 0.025 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 0.02489 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 0.06516 | nM | PubChem BioAssay data set | |
NPT731 | Cell Line | LXFL 529 | Homo sapiens | GI50 | 0.227 | nM | PubChem BioAssay data set | |
NPT576 | Cell Line | DMS-114 | Homo sapiens | GI50 | 0.1 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 0.1803 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 0.2148 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 0.06427 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 0.09226 | nM | PubChem BioAssay data set | |
NPT552 | Cell Line | P388/ADR | Mus musculus | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 0.05458 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 0.9506 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 0.04677 | nM | PubChem BioAssay data set | |
NPT577 | Cell Line | RXF 631 | Homo sapiens | GI50 | 0.1614 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 0.3491 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 0.1291 | nM | PubChem BioAssay data set | |
NPT578 | Cell Line | SNB-78 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 0.1164 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT579 | Cell Line | DLD-1 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 2.5 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 0.1746 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 4.446 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 0.09528 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 0.104 | nM | PubChem BioAssay data set | |
NPT732 | Cell Line | HOP-18 | Homo sapiens | GI50 | 0.6902 | nM | PubChem BioAssay data set | |
NPT738 | Cell Line | SN12K1 | Homo sapiens | GI50 | 2.5 | 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 NPC314596 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 |
---|---|---|
0.9727 | High Similarity | NPC316164 |
0.9519 | High Similarity | NPC314946 |
0.8693 | High Similarity | NPC315253 |
0.8367 | Intermediate Similarity | NPC313274 |
0.8131 | Intermediate Similarity | NPC42286 |
0.8109 | Intermediate Similarity | NPC314941 |
0.8041 | Intermediate Similarity | NPC329790 |
0.799 | Intermediate Similarity | NPC316412 |
0.799 | Intermediate Similarity | NPC208069 |
0.799 | Intermediate Similarity | NPC315351 |
0.799 | Intermediate Similarity | NPC315889 |
0.794 | Intermediate Similarity | NPC204580 |
0.7927 | Intermediate Similarity | NPC46958 |
0.791 | Intermediate Similarity | NPC314738 |
0.791 | Intermediate Similarity | NPC261012 |
0.791 | Intermediate Similarity | NPC109403 |
0.79 | Intermediate Similarity | NPC83019 |
0.7835 | Intermediate Similarity | NPC475246 |
0.782 | Intermediate Similarity | NPC313582 |
0.7817 | Intermediate Similarity | NPC469437 |
0.7806 | Intermediate Similarity | NPC477860 |
0.7806 | Intermediate Similarity | NPC475161 |
0.7804 | Intermediate Similarity | NPC252156 |
0.7801 | Intermediate Similarity | NPC129578 |
0.7801 | Intermediate Similarity | NPC225419 |
0.7784 | Intermediate Similarity | NPC3718 |
0.7778 | Intermediate Similarity | NPC87583 |
0.7772 | Intermediate Similarity | NPC76128 |
0.7772 | Intermediate Similarity | NPC30432 |
0.7772 | Intermediate Similarity | NPC271385 |
0.7772 | Intermediate Similarity | NPC111536 |
0.7772 | Intermediate Similarity | NPC5029 |
0.7766 | Intermediate Similarity | NPC313452 |
0.7749 | Intermediate Similarity | NPC178173 |
0.7744 | Intermediate Similarity | NPC289876 |
0.7744 | Intermediate Similarity | NPC475233 |
0.7732 | Intermediate Similarity | NPC154986 |
0.7732 | Intermediate Similarity | NPC213052 |
0.7732 | Intermediate Similarity | NPC472054 |
0.7732 | Intermediate Similarity | NPC203751 |
0.7716 | Intermediate Similarity | NPC315221 |
0.7708 | Intermediate Similarity | NPC470341 |
0.7708 | Intermediate Similarity | NPC234497 |
0.7708 | Intermediate Similarity | NPC474024 |
0.7708 | Intermediate Similarity | NPC472058 |
0.7708 | Intermediate Similarity | NPC105414 |
0.7708 | Intermediate Similarity | NPC324522 |
0.7692 | Intermediate Similarity | NPC68381 |
0.7673 | Intermediate Similarity | NPC314459 |
0.7673 | Intermediate Similarity | NPC470199 |
0.7672 | Intermediate Similarity | NPC470810 |
0.7665 | Intermediate Similarity | NPC58538 |
0.7665 | Intermediate Similarity | NPC153578 |
0.7665 | Intermediate Similarity | NPC277710 |
0.7665 | Intermediate Similarity | NPC299149 |
0.7665 | Intermediate Similarity | NPC114257 |
0.7664 | Intermediate Similarity | NPC170101 |
0.7662 | Intermediate Similarity | NPC314672 |
0.7653 | Intermediate Similarity | NPC82056 |
0.7653 | Intermediate Similarity | NPC102053 |
0.7641 | Intermediate Similarity | NPC98776 |
0.7641 | Intermediate Similarity | NPC309692 |
0.7641 | Intermediate Similarity | NPC85368 |
0.7641 | Intermediate Similarity | NPC199357 |
0.7632 | Intermediate Similarity | NPC3629 |
0.7632 | Intermediate Similarity | NPC472261 |
0.7629 | Intermediate Similarity | NPC313304 |
0.7626 | Intermediate Similarity | NPC197357 |
0.7626 | Intermediate Similarity | NPC85316 |
0.7617 | Intermediate Similarity | NPC63470 |
0.7617 | Intermediate Similarity | NPC76647 |
0.7617 | Intermediate Similarity | NPC218226 |
0.7614 | Intermediate Similarity | NPC477682 |
0.7614 | Intermediate Similarity | NPC477683 |
0.7614 | Intermediate Similarity | NPC207467 |
0.7606 | Intermediate Similarity | NPC478046 |
0.7606 | Intermediate Similarity | NPC328856 |
0.7606 | Intermediate Similarity | NPC180210 |
0.7606 | Intermediate Similarity | NPC478027 |
0.7606 | Intermediate Similarity | NPC314914 |
0.7606 | Intermediate Similarity | NPC478047 |
0.7606 | Intermediate Similarity | NPC321226 |
0.7604 | Intermediate Similarity | NPC472049 |
0.7604 | Intermediate Similarity | NPC469664 |
0.7604 | Intermediate Similarity | NPC472057 |
0.7604 | Intermediate Similarity | NPC472051 |
0.7602 | Intermediate Similarity | NPC63105 |
0.7602 | Intermediate Similarity | NPC474345 |
0.7602 | Intermediate Similarity | NPC477992 |
0.7602 | Intermediate Similarity | NPC477991 |
0.7602 | Intermediate Similarity | NPC294149 |
0.7602 | Intermediate Similarity | NPC70862 |
0.7598 | Intermediate Similarity | NPC470198 |
0.7598 | Intermediate Similarity | NPC470200 |
0.7598 | Intermediate Similarity | NPC282474 |
0.7598 | Intermediate Similarity | NPC316274 |
0.7598 | Intermediate Similarity | NPC470195 |
0.7598 | Intermediate Similarity | NPC470193 |
0.7598 | Intermediate Similarity | NPC470197 |
0.7598 | Intermediate Similarity | NPC470196 |
0.7598 | Intermediate Similarity | NPC470194 |
0.7594 | Intermediate Similarity | NPC469405 |
0.7594 | Intermediate Similarity | NPC214632 |
0.7592 | Intermediate Similarity | NPC146837 |
0.7592 | Intermediate Similarity | NPC212099 |
0.7592 | Intermediate Similarity | NPC478229 |
0.7592 | Intermediate Similarity | NPC278329 |
0.7592 | Intermediate Similarity | NPC473961 |
0.7592 | Intermediate Similarity | NPC101116 |
0.759 | Intermediate Similarity | NPC473113 |
0.7579 | Intermediate Similarity | NPC471976 |
0.7577 | Intermediate Similarity | NPC222455 |
0.7577 | Intermediate Similarity | NPC102810 |
0.7577 | Intermediate Similarity | NPC259905 |
0.7576 | Intermediate Similarity | NPC212290 |
0.7576 | Intermediate Similarity | NPC245059 |
0.7576 | Intermediate Similarity | NPC72783 |
0.7576 | Intermediate Similarity | NPC473785 |
0.7576 | Intermediate Similarity | NPC84494 |
0.757 | Intermediate Similarity | NPC316368 |
0.757 | Intermediate Similarity | NPC284236 |
0.7565 | Intermediate Similarity | NPC43319 |
0.7565 | Intermediate Similarity | NPC469394 |
0.7565 | Intermediate Similarity | NPC272502 |
0.7563 | Intermediate Similarity | NPC324220 |
0.7563 | Intermediate Similarity | NPC312630 |
0.7559 | Intermediate Similarity | NPC478048 |
0.7559 | Intermediate Similarity | NPC38964 |
0.7553 | Intermediate Similarity | NPC477958 |
0.7551 | Intermediate Similarity | NPC469393 |
0.755 | Intermediate Similarity | NPC292706 |
0.755 | Intermediate Similarity | NPC224557 |
0.754 | Intermediate Similarity | NPC40356 |
0.754 | Intermediate Similarity | NPC154683 |
0.7539 | Intermediate Similarity | NPC478222 |
0.7538 | Intermediate Similarity | NPC164047 |
0.7538 | Intermediate Similarity | NPC298778 |
0.7538 | Intermediate Similarity | NPC478021 |
0.7538 | Intermediate Similarity | NPC470448 |
0.7538 | Intermediate Similarity | NPC470452 |
0.7538 | Intermediate Similarity | NPC470453 |
0.7538 | Intermediate Similarity | NPC241874 |
0.7526 | Intermediate Similarity | NPC477154 |
0.7526 | Intermediate Similarity | NPC6588 |
0.7526 | Intermediate Similarity | NPC117854 |
0.7526 | Intermediate Similarity | NPC103633 |
0.7526 | Intermediate Similarity | NPC472622 |
0.7525 | Intermediate Similarity | NPC476210 |
0.7525 | Intermediate Similarity | NPC476199 |
0.7513 | Intermediate Similarity | NPC178281 |
0.7513 | Intermediate Similarity | NPC146803 |
0.7513 | Intermediate Similarity | NPC78492 |
0.7513 | Intermediate Similarity | NPC223735 |
0.7513 | Intermediate Similarity | NPC478026 |
0.7513 | Intermediate Similarity | NPC208152 |
0.7513 | Intermediate Similarity | NPC478223 |
0.7513 | Intermediate Similarity | NPC478020 |
0.7513 | Intermediate Similarity | NPC293319 |
0.7513 | Intermediate Similarity | NPC307754 |
0.7513 | Intermediate Similarity | NPC478022 |
0.7512 | Intermediate Similarity | NPC475352 |
0.7512 | Intermediate Similarity | NPC241847 |
0.7512 | Intermediate Similarity | NPC314687 |
0.7512 | Intermediate Similarity | NPC475220 |
0.7512 | Intermediate Similarity | NPC229817 |
0.7512 | Intermediate Similarity | NPC221140 |
0.7512 | Intermediate Similarity | NPC473686 |
0.75 | Intermediate Similarity | NPC315914 |
0.75 | Intermediate Similarity | NPC150977 |
0.75 | Intermediate Similarity | NPC109594 |
0.75 | Intermediate Similarity | NPC293227 |
0.75 | Intermediate Similarity | NPC472583 |
0.75 | Intermediate Similarity | NPC183441 |
0.75 | Intermediate Similarity | NPC223701 |
0.75 | Intermediate Similarity | NPC326592 |
0.75 | Intermediate Similarity | NPC473631 |
0.75 | Intermediate Similarity | NPC473717 |
0.75 | Intermediate Similarity | NPC112701 |
0.75 | Intermediate Similarity | NPC315619 |
0.75 | Intermediate Similarity | NPC472059 |
0.75 | Intermediate Similarity | NPC472620 |
0.75 | Intermediate Similarity | NPC7989 |
0.75 | Intermediate Similarity | NPC472402 |
0.75 | Intermediate Similarity | NPC294501 |
0.75 | Intermediate Similarity | NPC475662 |
0.75 | Intermediate Similarity | NPC15374 |
0.7488 | Intermediate Similarity | NPC131405 |
0.7488 | Intermediate Similarity | NPC244191 |
0.7488 | Intermediate Similarity | NPC264938 |
0.7487 | Intermediate Similarity | NPC478148 |
0.7487 | Intermediate Similarity | NPC246274 |
0.7487 | Intermediate Similarity | NPC284495 |
0.7487 | Intermediate Similarity | NPC474023 |
0.7487 | Intermediate Similarity | NPC474021 |
0.7487 | Intermediate Similarity | NPC54903 |
0.7487 | Intermediate Similarity | NPC286074 |
0.7487 | Intermediate Similarity | NPC175477 |
0.7487 | Intermediate Similarity | NPC470569 |
0.7487 | Intermediate Similarity | NPC191653 |
0.7475 | Intermediate Similarity | NPC105591 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC314596 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 |
---|---|---|---|
0.8995 | High Similarity | NPD8285 | Discontinued |
0.835 | Intermediate Similarity | NPD7701 | Phase 2 |
0.8109 | Intermediate Similarity | NPD8320 | Phase 1 |
0.8109 | Intermediate Similarity | NPD8319 | Approved |
0.797 | Intermediate Similarity | NPD7698 | Approved |
0.797 | Intermediate Similarity | NPD7697 | Approved |
0.797 | Intermediate Similarity | NPD7696 | Phase 3 |
0.791 | Intermediate Similarity | NPD6779 | Approved |
0.791 | Intermediate Similarity | NPD6780 | Approved |
0.791 | Intermediate Similarity | NPD6782 | Approved |
0.791 | Intermediate Similarity | NPD6778 | Approved |
0.791 | Intermediate Similarity | NPD6776 | Approved |
0.791 | Intermediate Similarity | NPD6781 | Approved |
0.791 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.791 | Intermediate Similarity | NPD6777 | Approved |
0.79 | Intermediate Similarity | NPD7699 | Phase 2 |
0.79 | Intermediate Similarity | NPD7700 | Phase 2 |
0.7874 | Intermediate Similarity | NPD7782 | Clinical (unspecified phase) |
0.7874 | Intermediate Similarity | NPD7801 | Approved |
0.7874 | Intermediate Similarity | NPD7783 | Phase 2 |
0.7843 | Intermediate Similarity | NPD7870 | Phase 2 |
0.7843 | Intermediate Similarity | NPD7871 | Phase 2 |
0.7826 | Intermediate Similarity | NPD7874 | Approved |
0.7826 | Intermediate Similarity | NPD7875 | Clinical (unspecified phase) |
0.7805 | Intermediate Similarity | NPD7211 | Clinical (unspecified phase) |
0.7793 | Intermediate Similarity | NPD8155 | Clinical (unspecified phase) |
0.7778 | Intermediate Similarity | NPD8151 | Discontinued |
0.775 | Intermediate Similarity | NPD6534 | Approved |
0.775 | Intermediate Similarity | NPD6535 | Approved |
0.7745 | Intermediate Similarity | NPD6823 | Phase 2 |
0.7696 | Intermediate Similarity | NPD8058 | Clinical (unspecified phase) |
0.7696 | Intermediate Similarity | NPD8059 | Phase 3 |
0.7692 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7539 | Intermediate Similarity | NPD6959 | Discontinued |
0.7536 | Intermediate Similarity | NPD7435 | Discontinued |
0.7525 | Intermediate Similarity | NPD6213 | Phase 3 |
0.7525 | Intermediate Similarity | NPD6212 | Phase 3 |
0.7525 | Intermediate Similarity | NPD6214 | Clinical (unspecified phase) |
0.7512 | Intermediate Similarity | NPD7930 | Approved |
0.7488 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7488 | Intermediate Similarity | NPD4363 | Phase 3 |
0.7475 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.7465 | Intermediate Similarity | NPD7907 | Approved |
0.7387 | Intermediate Similarity | NPD8312 | Approved |
0.7387 | Intermediate Similarity | NPD8313 | Approved |
0.7373 | Intermediate Similarity | NPD4111 | Phase 1 |
0.7368 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.7363 | Intermediate Similarity | NPD8150 | Discontinued |
0.7356 | Intermediate Similarity | NPD2493 | Approved |
0.7356 | Intermediate Similarity | NPD2494 | Approved |
0.7354 | Intermediate Similarity | NPD6844 | Discontinued |
0.7347 | Intermediate Similarity | NPD7893 | Clinical (unspecified phase) |
0.7343 | Intermediate Similarity | NPD7565 | Approved |
0.734 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7333 | Intermediate Similarity | NPD4582 | Approved |
0.7333 | Intermediate Similarity | NPD4583 | Approved |
0.732 | Intermediate Similarity | NPD5711 | Approved |
0.732 | Intermediate Similarity | NPD5710 | Approved |
0.731 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.7299 | Intermediate Similarity | NPD7999 | Approved |
0.7294 | Intermediate Similarity | NPD4665 | Approved |
0.7286 | Intermediate Similarity | NPD4004 | Approved |
0.7286 | Intermediate Similarity | NPD4002 | Approved |
0.7282 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.7282 | Intermediate Similarity | NPD4361 | Phase 2 |
0.7277 | Intermediate Similarity | NPD5038 | Approved |
0.7277 | Intermediate Similarity | NPD5037 | Approved |
0.7273 | Intermediate Similarity | NPD3450 | Approved |
0.7273 | Intermediate Similarity | NPD3452 | Approved |
0.7264 | Intermediate Similarity | NPD7584 | Approved |
0.7246 | Intermediate Similarity | NPD2974 | Approved |
0.7246 | Intermediate Similarity | NPD2975 | Approved |
0.7246 | Intermediate Similarity | NPD2973 | Approved |
0.7245 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7245 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7245 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7228 | Intermediate Similarity | NPD5036 | Approved |
0.7225 | Intermediate Similarity | NPD4580 | Approved |
0.7225 | Intermediate Similarity | NPD7819 | Suspended |
0.7211 | Intermediate Similarity | NPD5889 | Approved |
0.7211 | Intermediate Similarity | NPD5890 | Approved |
0.7196 | Intermediate Similarity | NPD3226 | Approved |
0.7195 | Intermediate Similarity | NPD6997 | Phase 2 |
0.7172 | Intermediate Similarity | NPD7177 | Discontinued |
0.7172 | Intermediate Similarity | NPD3751 | Discontinued |
0.7158 | Intermediate Similarity | NPD6585 | Discontinued |
0.7156 | Intermediate Similarity | NPD7047 | Phase 3 |
0.7136 | Intermediate Similarity | NPD7054 | Approved |
0.7135 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.713 | Intermediate Similarity | NPD5676 | Approved |
0.7123 | Intermediate Similarity | NPD7497 | Discontinued |
0.7121 | Intermediate Similarity | NPD7473 | Discontinued |
0.7114 | Intermediate Similarity | NPD7039 | Approved |
0.7114 | Intermediate Similarity | NPD7038 | Approved |
0.7113 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.7113 | Intermediate Similarity | NPD7075 | Discontinued |
0.7103 | Intermediate Similarity | NPD6973 | Clinical (unspecified phase) |
0.71 | Intermediate Similarity | NPD7074 | Phase 3 |
0.71 | Intermediate Similarity | NPD7472 | Approved |
0.7095 | Intermediate Similarity | NPD7811 | Phase 3 |
0.7095 | Intermediate Similarity | NPD7810 | Phase 3 |
0.7087 | Intermediate Similarity | NPD3808 | Clinical (unspecified phase) |
0.7085 | Intermediate Similarity | NPD5619 | Clinical (unspecified phase) |
0.7079 | Intermediate Similarity | NPD4955 | Approved |
0.7079 | Intermediate Similarity | NPD7808 | Phase 3 |
0.7079 | Intermediate Similarity | NPD5034 | Approved |
0.7079 | Intermediate Similarity | NPD5028 | Approved |
0.7079 | Intermediate Similarity | NPD36 | Approved |
0.7079 | Intermediate Similarity | NPD5026 | Approved |
0.7079 | Intermediate Similarity | NPD4954 | Approved |
0.7074 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7073 | Intermediate Similarity | NPD7906 | Approved |
0.7071 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.707 | Intermediate Similarity | NPD7585 | Approved |
0.7065 | Intermediate Similarity | NPD3823 | Discontinued |
0.7056 | Intermediate Similarity | NPD6232 | Discontinued |
0.705 | Intermediate Similarity | NPD5844 | Phase 1 |
0.7043 | Intermediate Similarity | NPD7048 | Phase 3 |
0.7039 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7031 | Intermediate Similarity | NPD7411 | Suspended |
0.703 | Intermediate Similarity | NPD5029 | Approved |
0.703 | Intermediate Similarity | NPD7251 | Discontinued |
0.703 | Intermediate Similarity | NPD5027 | Approved |
0.703 | Intermediate Similarity | NPD5030 | Phase 2 |
0.703 | Intermediate Similarity | NPD5031 | Approved |
0.7024 | Intermediate Similarity | NPD3863 | Clinical (unspecified phase) |
0.7023 | Intermediate Similarity | NPD7583 | Approved |
0.7016 | Intermediate Similarity | NPD2651 | Approved |
0.7016 | Intermediate Similarity | NPD2649 | Approved |
0.7014 | Intermediate Similarity | NPD7237 | Clinical (unspecified phase) |
0.7005 | Intermediate Similarity | NPD2490 | Approved |
0.7005 | Intermediate Similarity | NPD2488 | Approved |
0.6995 | Remote Similarity | NPD3057 | Approved |
0.6995 | Remote Similarity | NPD1934 | Approved |
0.698 | Remote Similarity | NPD7993 | Clinical (unspecified phase) |
0.698 | Remote Similarity | NPD6797 | Phase 2 |
0.6974 | Remote Similarity | NPD4868 | Clinical (unspecified phase) |
0.697 | Remote Similarity | NPD3787 | Discontinued |
0.6968 | Remote Similarity | NPD8404 | Phase 2 |
0.6967 | Remote Similarity | NPD4420 | Approved |
0.6965 | Remote Similarity | NPD6042 | Phase 2 |
0.6965 | Remote Similarity | NPD42 | Phase 2 |
0.6961 | Remote Similarity | NPD5035 | Approved |
0.6959 | Remote Similarity | NPD7096 | Clinical (unspecified phase) |
0.6954 | Remote Similarity | NPD5494 | Approved |
0.6952 | Remote Similarity | NPD7667 | Clinical (unspecified phase) |
0.6947 | Remote Similarity | NPD8491 | Approved |
0.6946 | Remote Similarity | NPD5039 | Approved |
0.6946 | Remote Similarity | NPD6559 | Discontinued |
0.6931 | Remote Similarity | NPD4956 | Approved |
0.6929 | Remote Similarity | NPD8461 | Discontinued |
0.6927 | Remote Similarity | NPD8053 | Approved |
0.6927 | Remote Similarity | NPD8054 | Approved |
0.692 | Remote Similarity | NPD8366 | Approved |
0.6916 | Remote Similarity | NPD3533 | Approved |
0.6916 | Remote Similarity | NPD2972 | Approved |
0.6916 | Remote Similarity | NPD2491 | Approved |
0.6916 | Remote Similarity | NPD5006 | Approved |
0.6916 | Remote Similarity | NPD8469 | Approved |
0.6916 | Remote Similarity | NPD5005 | Approved |
0.6915 | Remote Similarity | NPD3818 | Discontinued |
0.6912 | Remote Similarity | NPD5032 | Approved |
0.6907 | Remote Similarity | NPD7577 | Discontinued |
0.6907 | Remote Similarity | NPD6801 | Discontinued |
0.6895 | Remote Similarity | NPD4378 | Clinical (unspecified phase) |
0.6878 | Remote Similarity | NPD7312 | Approved |
0.6878 | Remote Similarity | NPD3534 | Clinical (unspecified phase) |
0.6878 | Remote Similarity | NPD4577 | Approved |
0.6878 | Remote Similarity | NPD7310 | Approved |
0.6878 | Remote Similarity | NPD7313 | Approved |
0.6878 | Remote Similarity | NPD4578 | Approved |
0.6878 | Remote Similarity | NPD7311 | Approved |
0.6875 | Remote Similarity | NPD6836 | Approved |
0.6872 | Remote Similarity | NPD2801 | Approved |
0.6869 | Remote Similarity | NPD4666 | Phase 3 |
0.686 | Remote Similarity | NPD4663 | Approved |
0.6852 | Remote Similarity | NPD4040 | Phase 1 |
0.6845 | Remote Similarity | NPD7309 | Approved |
0.6837 | Remote Similarity | NPD3448 | Approved |
0.6829 | Remote Similarity | NPD8453 | Clinical (unspecified phase) |
0.682 | Remote Similarity | NPD8152 | Approved |
0.682 | Remote Similarity | NPD8153 | Approved |
0.6818 | Remote Similarity | NPD5709 | Phase 3 |
0.6816 | Remote Similarity | NPD7784 | Clinical (unspecified phase) |
0.6816 | Remote Similarity | NPD4575 | Clinical (unspecified phase) |
0.681 | Remote Similarity | NPD5968 | Phase 3 |
0.6806 | Remote Similarity | NPD2532 | Approved |
0.6806 | Remote Similarity | NPD2534 | Approved |
0.6806 | Remote Similarity | NPD4662 | Approved |
0.6806 | Remote Similarity | NPD2533 | Approved |
0.6806 | Remote Similarity | NPD4661 | Approved |
0.6802 | Remote Similarity | NPD4581 | Clinical (unspecified phase) |
0.6796 | Remote Similarity | NPD2968 | Approved |
0.6796 | Remote Similarity | NPD2971 | Approved |
0.6794 | Remote Similarity | NPD8361 | Approved |
0.6794 | Remote Similarity | NPD8360 | Approved |
0.6791 | Remote Similarity | NPD2346 | Discontinued |
0.6782 | Remote Similarity | NPD5033 | Approved |
0.6779 | Remote Similarity | NPD8434 | Phase 2 |
0.6769 | Remote Similarity | NPD6072 | Discontinued |
PubChem CID   | 98033 |
ChEMBL   | CHEMBL1979887 |
ZINC   |
Molecular Weight:   | 746.34 |
ALogP:   | -2.0242 |
MLogP:   | 4.54 |
XLogP:   | 0.897 |
# Rotatable Bonds:   | 19 |
Polar Surface Area:   | 171.13 |
# H-Bond Aceptor:   | 11 |
# H-Bond Donor:   | 3 |
# Rings:   | 8 |
# Heavy Atoms:   | 54 |