Natural Product ID:   | NPC313421 |
Common Name:   | N-[2,4,12,15,17,25-Hexamethyl-3,6,10,13,16,19,23,26-Octaoxo-11,24-Di(Propan-2-Yl)-20-(Quinoxaline-2-Carbonylamino)-9,22-Dioxa-28,29-Dithia-2,5,12,15,18,25-Hexazabicyclo[12.12.4]Triacontan-7-Yl]Quinoxaline-2-Carboxamide |
IUPAC Name:   | N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide |
Synonyms:   | |
Molecular Formula:   | C50H62N12O12S2 |
Standard InCHIKey:   | GULVULFEAVZHHC-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64) |
Canonical SMILES:   | CC1N=C(O)C(COC(=O)C(C(C)C)N(C)C(=O)C2CSSCC(N(C1=O)C)C(=O)N(C)C(C(C)C)C(=O)OCC(N=C(c1cnc3c(n1)cccc3)O)C(=NC(C(=O)N2C)C)O)N=C(c1cnc2c(n1)cccc2)O |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0000450 ; |
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO10583 | Streptomyces echinatus | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO22810 | Streptomyces | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO20563.2 | Streptomyces triostinicus atcc 21043 | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO20563.1 | Streptomyces triostinicus | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO31911 | Streptomyces s-2-210 | Species | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 31.62 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 114.29 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 10 | 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 NPC313421 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 |
---|---|---|
0.9724 | High Similarity | NPC214827 |
0.9724 | High Similarity | NPC314930 |
0.9565 | High Similarity | NPC475024 |
0.9505 | High Similarity | NPC182507 |
0.7373 | Intermediate Similarity | NPC186351 |
0.7343 | Intermediate Similarity | NPC316403 |
0.7243 | Intermediate Similarity | NPC281049 |
0.7209 | Intermediate Similarity | NPC315804 |
0.7209 | Intermediate Similarity | NPC313804 |
0.7202 | Intermediate Similarity | NPC469938 |
0.7089 | Intermediate Similarity | NPC75634 |
0.708 | Intermediate Similarity | NPC478029 |
0.7069 | Intermediate Similarity | NPC315893 |
0.7069 | Intermediate Similarity | NPC316110 |
0.7069 | Intermediate Similarity | NPC313587 |
0.7032 | Intermediate Similarity | NPC253987 |
0.7014 | Intermediate Similarity | NPC323927 |
0.7009 | Intermediate Similarity | NPC110602 |
0.7009 | Intermediate Similarity | NPC31385 |
0.7009 | Intermediate Similarity | NPC75726 |
0.6991 | Remote Similarity | NPC478028 |
0.6948 | Remote Similarity | NPC478158 |
0.6944 | Remote Similarity | NPC478157 |
0.6923 | Remote Similarity | NPC64216 |
0.6912 | Remote Similarity | NPC473763 |
0.6912 | Remote Similarity | NPC117244 |
0.6881 | Remote Similarity | NPC94752 |
0.6816 | Remote Similarity | NPC19170 |
0.68 | Remote Similarity | NPC24864 |
0.6794 | Remote Similarity | NPC212213 |
0.6792 | Remote Similarity | NPC143325 |
0.6784 | Remote Similarity | NPC477516 |
0.6776 | Remote Similarity | NPC54420 |
0.6758 | Remote Similarity | NPC470731 |
0.6756 | Remote Similarity | NPC476491 |
0.6745 | Remote Similarity | NPC476874 |
0.6743 | Remote Similarity | NPC317752 |
0.6739 | Remote Similarity | NPC285343 |
0.6726 | Remote Similarity | NPC297862 |
0.6718 | Remote Similarity | NPC477975 |
0.6714 | Remote Similarity | NPC473640 |
0.6713 | Remote Similarity | NPC162860 |
0.6711 | Remote Similarity | NPC319232 |
0.6711 | Remote Similarity | NPC24370 |
0.671 | Remote Similarity | NPC178664 |
0.6703 | Remote Similarity | NPC328029 |
0.6698 | Remote Similarity | NPC475506 |
0.6697 | Remote Similarity | NPC318299 |
0.6696 | Remote Similarity | NPC476817 |
0.6681 | Remote Similarity | NPC220852 |
0.6667 | Remote Similarity | NPC193761 |
0.6667 | Remote Similarity | NPC155143 |
0.6652 | Remote Similarity | NPC327095 |
0.6652 | Remote Similarity | NPC312942 |
0.6652 | Remote Similarity | NPC155444 |
0.6651 | Remote Similarity | NPC294693 |
0.6635 | Remote Similarity | NPC474916 |
0.6635 | Remote Similarity | NPC239954 |
0.6633 | Remote Similarity | NPC477976 |
0.6622 | Remote Similarity | NPC40455 |
0.6617 | Remote Similarity | NPC28848 |
0.6617 | Remote Similarity | NPC14325 |
0.6616 | Remote Similarity | NPC91895 |
0.6611 | Remote Similarity | NPC153400 |
0.6609 | Remote Similarity | NPC323752 |
0.6604 | Remote Similarity | NPC160127 |
0.6604 | Remote Similarity | NPC100321 |
0.6604 | Remote Similarity | NPC50997 |
0.6604 | Remote Similarity | NPC293917 |
0.6603 | Remote Similarity | NPC198673 |
0.6599 | Remote Similarity | NPC56233 |
0.6595 | Remote Similarity | NPC28945 |
0.6591 | Remote Similarity | NPC54744 |
0.6589 | Remote Similarity | NPC57398 |
0.6587 | Remote Similarity | NPC129909 |
0.6584 | Remote Similarity | NPC12649 |
0.6582 | Remote Similarity | NPC478182 |
0.6579 | Remote Similarity | NPC56109 |
0.6579 | Remote Similarity | NPC191382 |
0.6578 | Remote Similarity | NPC478141 |
0.6574 | Remote Similarity | NPC238457 |
0.6571 | Remote Similarity | NPC20593 |
0.657 | Remote Similarity | NPC182814 |
0.657 | Remote Similarity | NPC213629 |
0.6569 | Remote Similarity | NPC143533 |
0.6567 | Remote Similarity | NPC203754 |
0.6567 | Remote Similarity | NPC150048 |
0.6565 | Remote Similarity | NPC165743 |
0.6565 | Remote Similarity | NPC89987 |
0.6557 | Remote Similarity | NPC168911 |
0.6557 | Remote Similarity | NPC265576 |
0.6557 | Remote Similarity | NPC171317 |
0.6537 | Remote Similarity | NPC228835 |
0.6537 | Remote Similarity | NPC470003 |
0.6532 | Remote Similarity | NPC470732 |
0.6532 | Remote Similarity | NPC147983 |
0.6532 | Remote Similarity | NPC177996 |
0.6522 | Remote Similarity | NPC475969 |
0.6522 | Remote Similarity | NPC475859 |
0.652 | Remote Similarity | NPC219963 |
0.6507 | Remote Similarity | NPC127647 |
0.6494 | Remote Similarity | NPC478011 |
0.6494 | Remote Similarity | NPC478012 |
0.649 | Remote Similarity | NPC61435 |
0.6484 | Remote Similarity | NPC107077 |
0.6484 | Remote Similarity | NPC223791 |
0.648 | Remote Similarity | NPC25899 |
0.6478 | Remote Similarity | NPC314056 |
0.6478 | Remote Similarity | NPC470730 |
0.6478 | Remote Similarity | NPC326363 |
0.6478 | Remote Similarity | NPC477175 |
0.6473 | Remote Similarity | NPC314270 |
0.6468 | Remote Similarity | NPC314176 |
0.6459 | Remote Similarity | NPC329961 |
0.6455 | Remote Similarity | NPC123839 |
0.6446 | Remote Similarity | NPC314882 |
0.644 | Remote Similarity | NPC477974 |
0.6439 | Remote Similarity | NPC161887 |
0.6439 | Remote Similarity | NPC266551 |
0.6438 | Remote Similarity | NPC325976 |
0.6435 | Remote Similarity | NPC33949 |
0.6429 | Remote Similarity | NPC293487 |
0.6425 | Remote Similarity | NPC320968 |
0.6425 | Remote Similarity | NPC318020 |
0.6422 | Remote Similarity | NPC11126 |
0.6422 | Remote Similarity | NPC475288 |
0.6422 | Remote Similarity | NPC317373 |
0.6411 | Remote Similarity | NPC255909 |
0.6408 | Remote Similarity | NPC48938 |
0.6408 | Remote Similarity | NPC478006 |
0.64 | Remote Similarity | NPC473310 |
0.64 | Remote Similarity | NPC478013 |
0.64 | Remote Similarity | NPC197141 |
0.6398 | Remote Similarity | NPC165538 |
0.6395 | Remote Similarity | NPC477633 |
0.6394 | Remote Similarity | NPC90415 |
0.6394 | Remote Similarity | NPC311858 |
0.6387 | Remote Similarity | NPC302159 |
0.6386 | Remote Similarity | NPC315467 |
0.6381 | Remote Similarity | NPC122427 |
0.6377 | Remote Similarity | NPC207851 |
0.6376 | Remote Similarity | NPC125597 |
0.6376 | Remote Similarity | NPC472259 |
0.6376 | Remote Similarity | NPC473376 |
0.6376 | Remote Similarity | NPC327592 |
0.6372 | Remote Similarity | NPC192674 |
0.6368 | Remote Similarity | NPC221100 |
0.6368 | Remote Similarity | NPC234078 |
0.6364 | Remote Similarity | NPC266249 |
0.6364 | Remote Similarity | NPC48192 |
0.6364 | Remote Similarity | NPC328798 |
0.6364 | Remote Similarity | NPC472323 |
0.636 | Remote Similarity | NPC478009 |
0.636 | Remote Similarity | NPC478010 |
0.6359 | Remote Similarity | NPC328596 |
0.6359 | Remote Similarity | NPC328318 |
0.6352 | Remote Similarity | NPC472435 |
0.635 | Remote Similarity | NPC478183 |
0.635 | Remote Similarity | NPC41717 |
0.6344 | Remote Similarity | NPC29702 |
0.6341 | Remote Similarity | NPC472436 |
0.6339 | Remote Similarity | NPC477979 |
0.6338 | Remote Similarity | NPC289299 |
0.6338 | Remote Similarity | NPC57994 |
0.6332 | Remote Similarity | NPC478184 |
0.6329 | Remote Similarity | NPC472104 |
0.6329 | Remote Similarity | NPC325093 |
0.6329 | Remote Similarity | NPC161143 |
0.6329 | Remote Similarity | NPC243058 |
0.6327 | Remote Similarity | NPC477714 |
0.6325 | Remote Similarity | NPC63279 |
0.6325 | Remote Similarity | NPC141053 |
0.6324 | Remote Similarity | NPC24594 |
0.6324 | Remote Similarity | NPC280852 |
0.6324 | Remote Similarity | NPC472122 |
0.6323 | Remote Similarity | NPC118940 |
0.632 | Remote Similarity | NPC244536 |
0.6318 | Remote Similarity | NPC166492 |
0.6318 | Remote Similarity | NPC473362 |
0.6316 | Remote Similarity | NPC471506 |
0.6309 | Remote Similarity | NPC474877 |
0.6298 | Remote Similarity | NPC284678 |
0.6298 | Remote Similarity | NPC472119 |
0.6298 | Remote Similarity | NPC203635 |
0.6298 | Remote Similarity | NPC297642 |
0.6293 | Remote Similarity | NPC326575 |
0.6293 | Remote Similarity | NPC157583 |
0.6291 | Remote Similarity | NPC226202 |
0.6287 | Remote Similarity | NPC116961 |
0.6287 | Remote Similarity | NPC32534 |
0.6286 | Remote Similarity | NPC17059 |
0.6284 | Remote Similarity | NPC143977 |
0.6281 | Remote Similarity | NPC478185 |
0.6269 | Remote Similarity | NPC470111 |
0.6268 | Remote Similarity | NPC280290 |
0.6267 | Remote Similarity | NPC121327 |
0.6266 | Remote Similarity | NPC477176 |
0.6266 | Remote Similarity | NPC470729 |
0.6266 | Remote Similarity | NPC69843 |
0.6262 | Remote Similarity | NPC256268 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC313421 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 |
---|---|---|---|
0.75 | Intermediate Similarity | NPD7712 | Clinical (unspecified phase) |
0.7373 | Intermediate Similarity | NPD8430 | Approved |
0.7349 | Intermediate Similarity | NPD8356 | Approved |
0.7219 | Intermediate Similarity | NPD3433 | Clinical (unspecified phase) |
0.7124 | Intermediate Similarity | NPD8246 | Approved |
0.7124 | Intermediate Similarity | NPD8247 | Approved |
0.7121 | Intermediate Similarity | NPD2417 | Approved |
0.7121 | Intermediate Similarity | NPD2416 | Approved |
0.7114 | Intermediate Similarity | NPD8063 | Discontinued |
0.7107 | Intermediate Similarity | NPD8408 | Discontinued |
0.7091 | Intermediate Similarity | NPD8289 | Discontinued |
0.7035 | Intermediate Similarity | NPD7482 | Phase 2 |
0.7035 | Intermediate Similarity | NPD7483 | Phase 2 |
0.7011 | Intermediate Similarity | NPD7469 | Discontinued |
0.7 | Intermediate Similarity | NPD8272 | Phase 2 |
0.7 | Intermediate Similarity | NPD8169 | Discontinued |
0.6986 | Remote Similarity | NPD6615 | Clinical (unspecified phase) |
0.6976 | Remote Similarity | NPD7944 | Discontinued |
0.6946 | Remote Similarity | NPD3321 | Discontinued |
0.6938 | Remote Similarity | NPD7903 | Clinical (unspecified phase) |
0.6919 | Remote Similarity | NPD4905 | Approved |
0.6919 | Remote Similarity | NPD4906 | Approved |
0.6919 | Remote Similarity | NPD4903 | Approved |
0.6898 | Remote Similarity | NPD7913 | Clinical (unspecified phase) |
0.6887 | Remote Similarity | NPD4904 | Approved |
0.6875 | Remote Similarity | NPD6771 | Discontinued |
0.6866 | Remote Similarity | NPD6178 | Phase 3 |
0.6829 | Remote Similarity | NPD6626 | Approved |
0.6829 | Remote Similarity | NPD1977 | Clinical (unspecified phase) |
0.6827 | Remote Similarity | NPD4473 | Clinical (unspecified phase) |
0.6821 | Remote Similarity | NPD5862 | Discovery |
0.682 | Remote Similarity | NPD5679 | Clinical (unspecified phase) |
0.6796 | Remote Similarity | NPD3288 | Approved |
0.6792 | Remote Similarity | NPD8072 | Approved |
0.6791 | Remote Similarity | NPD1661 | Suspended |
0.6786 | Remote Similarity | NPD4024 | Phase 3 |
0.6779 | Remote Similarity | NPD7061 | Clinical (unspecified phase) |
0.6776 | Remote Similarity | NPD4415 | Approved |
0.6774 | Remote Similarity | NPD7195 | Clinical (unspecified phase) |
0.6769 | Remote Similarity | NPD4174 | Clinical (unspecified phase) |
0.6766 | Remote Similarity | NPD7867 | Phase 1 |
0.6755 | Remote Similarity | NPD3575 | Approved |
0.6755 | Remote Similarity | NPD3576 | Approved |
0.6744 | Remote Similarity | NPD4960 | Approved |
0.6744 | Remote Similarity | NPD4959 | Approved |
0.674 | Remote Similarity | NPD5935 | Discontinued |
0.6727 | Remote Similarity | NPD8406 | Clinical (unspecified phase) |
0.6723 | Remote Similarity | NPD8250 | Phase 2 |
0.6715 | Remote Similarity | NPD6887 | Clinical (unspecified phase) |
0.6715 | Remote Similarity | NPD3406 | Suspended |
0.6712 | Remote Similarity | NPD7970 | Approved |
0.6712 | Remote Similarity | NPD7971 | Clinical (unspecified phase) |
0.6703 | Remote Similarity | NPD4805 | Approved |
0.67 | Remote Similarity | NPD1096 | Discontinued |
0.67 | Remote Similarity | NPD8122 | Approved |
0.67 | Remote Similarity | NPD8123 | Approved |
0.6698 | Remote Similarity | NPD4963 | Approved |
0.6698 | Remote Similarity | NPD4962 | Approved |
0.6698 | Remote Similarity | NPD6838 | Clinical (unspecified phase) |
0.6683 | Remote Similarity | NPD4528 | Approved |
0.6683 | Remote Similarity | NPD5322 | Clinical (unspecified phase) |
0.6683 | Remote Similarity | NPD4526 | Approved |
0.6683 | Remote Similarity | NPD4529 | Approved |
0.6682 | Remote Similarity | NPD8115 | Approved |
0.6682 | Remote Similarity | NPD8114 | Approved |
0.6681 | Remote Similarity | NPD7730 | Approved |
0.6681 | Remote Similarity | NPD7731 | Approved |
0.6667 | Remote Similarity | NPD7271 | Approved |
0.6667 | Remote Similarity | NPD6022 | Clinical (unspecified phase) |
0.6652 | Remote Similarity | NPD8104 | Phase 3 |
0.6651 | Remote Similarity | NPD4961 | Approved |
0.665 | Remote Similarity | NPD1292 | Clinical (unspecified phase) |
0.665 | Remote Similarity | NPD6044 | Discontinued |
0.665 | Remote Similarity | NPD4334 | Discontinued |
0.6638 | Remote Similarity | NPD4929 | Approved |
0.6638 | Remote Similarity | NPD4930 | Approved |
0.6638 | Remote Similarity | NPD4928 | Approved |
0.6637 | Remote Similarity | NPD5884 | Clinical (unspecified phase) |
0.6635 | Remote Similarity | NPD4376 | Phase 3 |
0.6635 | Remote Similarity | NPD5505 | Discontinued |
0.6635 | Remote Similarity | NPD6665 | Discontinued |
0.6634 | Remote Similarity | NPD3913 | Clinical (unspecified phase) |
0.6623 | Remote Similarity | NPD7824 | Approved |
0.6622 | Remote Similarity | NPD6173 | Approved |
0.6622 | Remote Similarity | NPD6578 | Clinical (unspecified phase) |
0.662 | Remote Similarity | NPD5017 | Discontinued |
0.6619 | Remote Similarity | NPD7023 | Clinical (unspecified phase) |
0.6618 | Remote Similarity | NPD4081 | Clinical (unspecified phase) |
0.6618 | Remote Similarity | NPD3439 | Approved |
0.6609 | Remote Similarity | NPD7953 | Approved |
0.6609 | Remote Similarity | NPD7950 | Approved |
0.6609 | Remote Similarity | NPD7789 | Approved |
0.6609 | Remote Similarity | NPD7951 | Approved |
0.6609 | Remote Similarity | NPD7790 | Approved |
0.6609 | Remote Similarity | NPD7791 | Approved |
0.6609 | Remote Similarity | NPD7952 | Approved |
0.6604 | Remote Similarity | NPD7049 | Clinical (unspecified phase) |
0.6604 | Remote Similarity | NPD7621 | Clinical (unspecified phase) |
0.6601 | Remote Similarity | NPD1783 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD4883 | Approved |
0.6599 | Remote Similarity | NPD4554 | Clinical (unspecified phase) |
0.6598 | Remote Similarity | NPD5255 | Approved |
0.6597 | Remote Similarity | NPD5965 | Clinical (unspecified phase) |
0.6595 | Remote Similarity | NPD4804 | Approved |
0.6589 | Remote Similarity | NPD6268 | Phase 1 |
0.6589 | Remote Similarity | NPD6269 | Clinical (unspecified phase) |
0.6589 | Remote Similarity | NPD8073 | Approved |
0.6588 | Remote Similarity | NPD6206 | Phase 1 |
0.6587 | Remote Similarity | NPD3785 | Clinical (unspecified phase) |
0.6585 | Remote Similarity | NPD5555 | Phase 1 |
0.6585 | Remote Similarity | NPD6227 | Discontinued |
0.6583 | Remote Similarity | NPD754 | Clinical (unspecified phase) |
0.6583 | Remote Similarity | NPD8370 | Discontinued |
0.6579 | Remote Similarity | NPD7888 | Approved |
0.6579 | Remote Similarity | NPD7887 | Approved |
0.6579 | Remote Similarity | NPD7780 | Approved |
0.6579 | Remote Similarity | NPD7781 | Approved |
0.6575 | Remote Similarity | NPD7470 | Discontinued |
0.6571 | Remote Similarity | NPD7619 | Phase 3 |
0.6571 | Remote Similarity | NPD7618 | Phase 3 |
0.657 | Remote Similarity | NPD6965 | Clinical (unspecified phase) |
0.6567 | Remote Similarity | NPD5104 | Approved |
0.656 | Remote Similarity | NPD3968 | Approved |
0.6559 | Remote Similarity | NPD1649 | Discontinued |
0.6558 | Remote Similarity | NPD5487 | Phase 1 |
0.6557 | Remote Similarity | NPD5885 | Approved |
0.6557 | Remote Similarity | NPD7204 | Clinical (unspecified phase) |
0.6555 | Remote Similarity | NPD4372 | Phase 1 |
0.6553 | Remote Similarity | NPD8117 | Approved |
0.6553 | Remote Similarity | NPD8116 | Phase 3 |
0.6549 | Remote Similarity | NPD6753 | Phase 1 |
0.6549 | Remote Similarity | NPD5046 | Discontinued |
0.6549 | Remote Similarity | NPD6752 | Phase 1 |
0.6547 | Remote Similarity | NPD8405 | Clinical (unspecified phase) |
0.6546 | Remote Similarity | NPD4326 | Phase 2 |
0.6545 | Remote Similarity | NPD7594 | Clinical (unspecified phase) |
0.6545 | Remote Similarity | NPD8093 | Discontinued |
0.6544 | Remote Similarity | NPD8493 | Clinical (unspecified phase) |
0.6542 | Remote Similarity | NPD7727 | Phase 2 |
0.6542 | Remote Similarity | NPD7817 | Phase 1 |
0.654 | Remote Similarity | NPD7818 | Clinical (unspecified phase) |
0.6533 | Remote Similarity | NPD4650 | Approved |
0.6532 | Remote Similarity | NPD3353 | Approved |
0.6524 | Remote Similarity | NPD6350 | Phase 1 |
0.6522 | Remote Similarity | NPD8021 | Approved |
0.6522 | Remote Similarity | NPD8020 | Approved |
0.6522 | Remote Similarity | NPD7284 | Clinical (unspecified phase) |
0.6514 | Remote Similarity | NPD8260 | Approved |
0.6514 | Remote Similarity | NPD7666 | Phase 3 |
0.6514 | Remote Similarity | NPD7665 | Phase 2 |
0.6505 | Remote Similarity | NPD4336 | Clinical (unspecified phase) |
0.6505 | Remote Similarity | NPD3082 | Discontinued |
0.6502 | Remote Similarity | NPD8000 | Clinical (unspecified phase) |
0.6502 | Remote Similarity | NPD8327 | Clinical (unspecified phase) |
0.6502 | Remote Similarity | NPD7823 | Clinical (unspecified phase) |
0.6502 | Remote Similarity | NPD8325 | Phase 3 |
0.6502 | Remote Similarity | NPD8326 | Phase 3 |
0.65 | Remote Similarity | NPD2123 | Phase 3 |
0.6498 | Remote Similarity | NPD7289 | Clinical (unspecified phase) |
0.6495 | Remote Similarity | NPD5043 | Discontinued |
0.6491 | Remote Similarity | NPD7711 | Discontinued |
0.6491 | Remote Similarity | NPD7603 | Discontinued |
0.649 | Remote Similarity | NPD7234 | Approved |
0.649 | Remote Similarity | NPD7233 | Approved |
0.649 | Remote Similarity | NPD8110 | Clinical (unspecified phase) |
0.6488 | Remote Similarity | NPD5728 | Clinical (unspecified phase) |
0.6484 | Remote Similarity | NPD3856 | Clinical (unspecified phase) |
0.648 | Remote Similarity | NPD2511 | Approved |
0.648 | Remote Similarity | NPD6454 | Clinical (unspecified phase) |
0.6476 | Remote Similarity | NPD5317 | Clinical (unspecified phase) |
0.6476 | Remote Similarity | NPD4315 | Phase 2 |
0.6473 | Remote Similarity | NPD1623 | Approved |
0.6468 | Remote Similarity | NPD3410 | Approved |
0.6468 | Remote Similarity | NPD8322 | Phase 2 |
0.6468 | Remote Similarity | NPD3411 | Phase 2 |
0.6465 | Remote Similarity | NPD2719 | Clinical (unspecified phase) |
0.6465 | Remote Similarity | NPD2720 | Phase 1 |
0.646 | Remote Similarity | NPD4187 | Clinical (unspecified phase) |
0.6457 | Remote Similarity | NPD2402 | Approved |
0.6457 | Remote Similarity | NPD2401 | Approved |
0.6456 | Remote Similarity | NPD7564 | Discontinued |
0.6455 | Remote Similarity | NPD7998 | Clinical (unspecified phase) |
0.6452 | Remote Similarity | NPD7103 | Approved |
0.6449 | Remote Similarity | NPD6249 | Phase 2 |
0.6449 | Remote Similarity | NPD6248 | Phase 2 |
0.6436 | Remote Similarity | NPD158 | Discontinued |
0.6429 | Remote Similarity | NPD8257 | Approved |
0.6429 | Remote Similarity | NPD8258 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD8256 | Approved |
0.6429 | Remote Similarity | NPD715 | Phase 3 |
0.6429 | Remote Similarity | NPD2787 | Clinical (unspecified phase) |
0.6425 | Remote Similarity | NPD5075 | Discontinued |
0.6425 | Remote Similarity | NPD8013 | Clinical (unspecified phase) |
0.6422 | Remote Similarity | NPD7001 | Phase 3 |
0.6422 | Remote Similarity | NPD3967 | Approved |
0.6422 | Remote Similarity | NPD7957 | Phase 1 |
0.6422 | Remote Similarity | NPD7958 | Clinical (unspecified phase) |
0.6419 | Remote Similarity | NPD5640 | Discontinued |
0.6416 | Remote Similarity | NPD8479 | Phase 2 |
0.6416 | Remote Similarity | NPD6210 | Phase 3 |
PubChem CID   | 316447 |
ChEMBL   | CHEMBL2007041 |
ZINC   |
Molecular Weight:   | 1086.41 |
ALogP:   | -1.4194 |
MLogP:   | 4.1 |
XLogP:   | 2.59 |
# Rotatable Bonds:   | 20 |
Polar Surface Area:   | 366.36 |
# H-Bond Aceptor:   | 24 |
# H-Bond Donor:   | 4 |
# Rings:   | 6 |
# Heavy Atoms:   | 76 |