Natural Product: NPC313421

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 ;

  Species Source

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*

  Biological Activity

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

  Similar Natural Products in NPASS

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

  Similar Clinical/Approved Drugs

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

Structure

External Identifiers

PubChem CID   316447
ChEMBL   CHEMBL2007041
ZINC  

Physicochemical Properties

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

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Structure MOL file  
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Biological Activities  
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