Natural Product: NPC314817

Natural Product ID:  NPC314817
Common Name:   2-Amino-1-N,9-N-Bis(3-Butan-2-Yl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-10-Propan-2-Yl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-4,6-Dimethyl-3-Oxophenoxazine-1,9-Dicarboxamide
IUPAC Name:   2-amino-1-N,9-N-bis(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
Synonyms:  
Molecular Formula:   C64H90N12O16
Standard InCHIKey:  XLGPRYUFOGVPMM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)
Canonical SMILES:  CCC(C1N=C(O)C(N=C(c2c3nc4c(ccc(c4oc3c(c(=O)c2N)C)C)C(=NC2C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C(=O)C3N(C(=O)C(N=C2O)C(CC)C)CCC3)C)O)O)C(C)OC(=O)C(C(C)C)N(C(=O)CN(C(=O)C2N(C1=O)CCC2)C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO32045 Streptomyces a1525 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4020 Individual Protein Growth factor receptor-bound protein 2 Homo sapiens IC50 = 7600 nM 9873474
NPT367 Cell Line MDA-N Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 0.2818 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 1.618 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 1.327 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 20.42 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 2.547 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 10.99 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 0.1563 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 0.1982 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 10.16 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 1.837 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 296.48 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 4.592 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 0.2624 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 5.61 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 14.72 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 0.236 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 1.069 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 9.954 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 1.714 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 0.1435 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 6.252 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 10.52 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 1.009 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 0.7534 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 12.97 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 3.192 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 17.18 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 3.221 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 14.49 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 0.8954 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 20.84 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 1.73 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 0.1687 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 0.5395 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 5.902 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 0.4775 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 0.1945 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 6.501 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 0.8892 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 0.1 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 0.1096 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 3.936 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 0.1 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 NPC314817 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC66191
1.0 High Similarity NPC316297
0.7577 Intermediate Similarity NPC127362
0.7474 Intermediate Similarity NPC472923
0.7277 Intermediate Similarity NPC214368
0.7264 Intermediate Similarity NPC8467
0.7256 Intermediate Similarity NPC473422
0.7255 Intermediate Similarity NPC470112
0.7255 Intermediate Similarity NPC470903
0.7255 Intermediate Similarity NPC167763
0.7243 Intermediate Similarity NPC311357
0.7108 Intermediate Similarity NPC475421
0.7101 Intermediate Similarity NPC299806
0.7079 Intermediate Similarity NPC248670
0.7067 Intermediate Similarity NPC475609
0.705 Intermediate Similarity NPC314861
0.7 Intermediate Similarity NPC254700
0.698 Remote Similarity NPC475204
0.698 Remote Similarity NPC475123
0.6972 Remote Similarity NPC473460
0.697 Remote Similarity NPC301163
0.6938 Remote Similarity NPC315542
0.6931 Remote Similarity NPC186617
0.6909 Remote Similarity NPC195787
0.6909 Remote Similarity NPC246140
0.6906 Remote Similarity NPC471532
0.6905 Remote Similarity NPC262725
0.6897 Remote Similarity NPC471568
0.6897 Remote Similarity NPC473693
0.6878 Remote Similarity NPC471165
0.6861 Remote Similarity NPC476651
0.6845 Remote Similarity NPC50016
0.6816 Remote Similarity NPC191863
0.6816 Remote Similarity NPC133470
0.6816 Remote Similarity NPC289776
0.6796 Remote Similarity NPC158277
0.6794 Remote Similarity NPC270301
0.6784 Remote Similarity NPC471531
0.6779 Remote Similarity NPC269750
0.6779 Remote Similarity NPC194671
0.6778 Remote Similarity NPC477586
0.6778 Remote Similarity NPC477585
0.6778 Remote Similarity NPC477590
0.6778 Remote Similarity NPC477588
0.6776 Remote Similarity NPC473378
0.6776 Remote Similarity NPC28510
0.6776 Remote Similarity NPC473407
0.677 Remote Similarity NPC326027
0.6766 Remote Similarity NPC231862
0.6756 Remote Similarity NPC326333
0.6748 Remote Similarity NPC137627
0.6739 Remote Similarity NPC274268
0.6732 Remote Similarity NPC196091
0.6731 Remote Similarity NPC315631
0.6729 Remote Similarity NPC174629
0.6728 Remote Similarity NPC108847
0.6715 Remote Similarity NPC477462
0.6715 Remote Similarity NPC279871
0.6715 Remote Similarity NPC26108
0.6714 Remote Similarity NPC329731
0.6698 Remote Similarity NPC477391
0.6696 Remote Similarity NPC222046
0.6695 Remote Similarity NPC314702
0.6695 Remote Similarity NPC477587
0.6695 Remote Similarity NPC477589
0.6682 Remote Similarity NPC184933
0.6682 Remote Similarity NPC59827
0.6681 Remote Similarity NPC194740
0.6667 Remote Similarity NPC204970
0.6667 Remote Similarity NPC273755
0.6667 Remote Similarity NPC306804
0.6667 Remote Similarity NPC471561
0.6667 Remote Similarity NPC133609
0.6667 Remote Similarity NPC262166
0.6651 Remote Similarity NPC294951
0.665 Remote Similarity NPC7817
0.665 Remote Similarity NPC46009
0.665 Remote Similarity NPC40234
0.665 Remote Similarity NPC57105
0.665 Remote Similarity NPC475168
0.664 Remote Similarity NPC189079
0.6636 Remote Similarity NPC328763
0.6636 Remote Similarity NPC4910
0.6635 Remote Similarity NPC473354
0.6634 Remote Similarity NPC473502
0.6623 Remote Similarity NPC315804
0.6623 Remote Similarity NPC37957
0.6623 Remote Similarity NPC153923
0.6623 Remote Similarity NPC313804
0.6622 Remote Similarity NPC1464
0.6622 Remote Similarity NPC205926
0.6621 Remote Similarity NPC316282
0.662 Remote Similarity NPC313886
0.662 Remote Similarity NPC248822
0.6619 Remote Similarity NPC45037
0.6618 Remote Similarity NPC63931
0.6618 Remote Similarity NPC83241
0.6618 Remote Similarity NPC89831
0.6618 Remote Similarity NPC328494
0.6609 Remote Similarity NPC250960
0.6609 Remote Similarity NPC71539
0.6599 Remote Similarity NPC254798
0.6596 Remote Similarity NPC266994
0.6591 Remote Similarity NPC218733
0.6591 Remote Similarity NPC477527
0.6591 Remote Similarity NPC323662
0.6591 Remote Similarity NPC138615
0.6591 Remote Similarity NPC132874
0.6591 Remote Similarity NPC265642
0.6583 Remote Similarity NPC56685
0.658 Remote Similarity NPC303658
0.6574 Remote Similarity NPC473305
0.6574 Remote Similarity NPC64140
0.6574 Remote Similarity NPC163961
0.6574 Remote Similarity NPC174122
0.6573 Remote Similarity NPC471048
0.6573 Remote Similarity NPC315934
0.6573 Remote Similarity NPC477392
0.6573 Remote Similarity NPC471049
0.6573 Remote Similarity NPC471050
0.6568 Remote Similarity NPC248903
0.6564 Remote Similarity NPC313867
0.6564 Remote Similarity NPC316008
0.6562 Remote Similarity NPC470484
0.656 Remote Similarity NPC314083
0.656 Remote Similarity NPC470485
0.6559 Remote Similarity NPC317567
0.6557 Remote Similarity NPC116096
0.6557 Remote Similarity NPC476321
0.6555 Remote Similarity NPC95412
0.6555 Remote Similarity NPC164608
0.6555 Remote Similarity NPC476227
0.6553 Remote Similarity NPC302597
0.6553 Remote Similarity NPC294516
0.6553 Remote Similarity NPC107938
0.655 Remote Similarity NPC470902
0.6544 Remote Similarity NPC477526
0.6542 Remote Similarity NPC138083
0.654 Remote Similarity NPC74216
0.6538 Remote Similarity NPC148124
0.6538 Remote Similarity NPC230611
0.6537 Remote Similarity NPC471197
0.6531 Remote Similarity NPC314358
0.6528 Remote Similarity NPC234069
0.6526 Remote Similarity NPC314659
0.6525 Remote Similarity NPC26928
0.6524 Remote Similarity NPC128115
0.652 Remote Similarity NPC241794
0.6513 Remote Similarity NPC314388
0.6513 Remote Similarity NPC315283
0.6512 Remote Similarity NPC276120
0.6512 Remote Similarity NPC323858
0.6511 Remote Similarity NPC314633
0.6509 Remote Similarity NPC471198
0.6509 Remote Similarity NPC316368
0.6509 Remote Similarity NPC284236
0.6509 Remote Similarity NPC32064
0.6505 Remote Similarity NPC61004
0.6504 Remote Similarity NPC316403
0.6502 Remote Similarity NPC472329
0.6502 Remote Similarity NPC287757
0.6502 Remote Similarity NPC314222
0.6502 Remote Similarity NPC472330
0.6502 Remote Similarity NPC319320
0.6502 Remote Similarity NPC196449
0.65 Remote Similarity NPC261934
0.65 Remote Similarity NPC5194
0.6498 Remote Similarity NPC471513
0.6498 Remote Similarity NPC186351
0.6496 Remote Similarity NPC99724
0.6495 Remote Similarity NPC469829
0.6494 Remote Similarity NPC234772
0.6484 Remote Similarity NPC203972
0.6482 Remote Similarity NPC324081
0.6481 Remote Similarity NPC219397
0.6479 Remote Similarity NPC477637
0.6479 Remote Similarity NPC197335
0.6476 Remote Similarity NPC330683
0.6476 Remote Similarity NPC329567
0.6476 Remote Similarity NPC473402
0.6471 Remote Similarity NPC144314
0.6468 Remote Similarity NPC470483
0.6466 Remote Similarity NPC478046
0.6466 Remote Similarity NPC478047
0.6466 Remote Similarity NPC180210
0.6466 Remote Similarity NPC314914
0.6466 Remote Similarity NPC15384
0.6466 Remote Similarity NPC321226
0.6466 Remote Similarity NPC328856
0.6466 Remote Similarity NPC244425
0.6463 Remote Similarity NPC329932
0.6461 Remote Similarity NPC301501
0.6461 Remote Similarity NPC131486
0.6459 Remote Similarity NPC329480
0.6457 Remote Similarity NPC242728
0.6456 Remote Similarity NPC189116
0.6455 Remote Similarity NPC471563
0.6453 Remote Similarity NPC170101
0.6449 Remote Similarity NPC471526
0.6449 Remote Similarity NPC469451

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC314817 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
0.694 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6894 Remote Similarity NPD2951 Discontinued
0.6872 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6866 Remote Similarity NPD6874 Approved
0.6857 Remote Similarity NPD6045 Phase 3
0.6853 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6847 Remote Similarity NPD7484 Phase 3
0.6847 Remote Similarity NPD7485 Phase 3
0.683 Remote Similarity NPD1945 Phase 1
0.6797 Remote Similarity NPD3912 Discontinued
0.6773 Remote Similarity NPD6863 Phase 2
0.6739 Remote Similarity NPD3437 Discontinued
0.6732 Remote Similarity NPD7608 Discontinued
0.6727 Remote Similarity NPD6321 Discontinued
0.6726 Remote Similarity NPD7043 Discontinued
0.67 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6697 Remote Similarity NPD4605 Approved
0.6697 Remote Similarity NPD4604 Approved
0.6696 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6519 Phase 2
0.6667 Remote Similarity NPD8461 Discontinued
0.6667 Remote Similarity NPD7131 Phase 3
0.6667 Remote Similarity NPD5433 Clinical (unspecified phase)
0.6653 Remote Similarity NPD7853 Phase 2
0.6653 Remote Similarity NPD8492 Approved
0.6652 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6652 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6623 Remote Similarity NPD3945 Discontinued
0.6609 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6609 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6607 Remote Similarity NPD4130 Phase 3
0.6607 Remote Similarity NPD8161 Suspended
0.6602 Remote Similarity NPD2681 Approved
0.6602 Remote Similarity NPD2680 Approved
0.6601 Remote Similarity NPD7318 Phase 3
0.6601 Remote Similarity NPD1012 Discontinued
0.6597 Remote Similarity NPD7796 Approved
0.6597 Remote Similarity NPD7797 Approved
0.6595 Remote Similarity NPD7180 Phase 3
0.6592 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6589 Remote Similarity NPD3154 Approved
0.6589 Remote Similarity NPD3153 Approved
0.6582 Remote Similarity NPD6199 Discontinued
0.6562 Remote Similarity NPD6644 Discontinued
0.6562 Remote Similarity NPD4467 Phase 2
0.6562 Remote Similarity NPD4465 Phase 2
0.6561 Remote Similarity NPD7811 Phase 3
0.6561 Remote Similarity NPD7810 Phase 3
0.6561 Remote Similarity NPD5547 Clinical (unspecified phase)
0.6559 Remote Similarity NPD8367 Approved
0.6555 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6555 Remote Similarity NPD2525 Clinical (unspecified phase)
0.6553 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6547 Remote Similarity NPD2498 Approved
0.6545 Remote Similarity NPD4979 Clinical (unspecified phase)
0.6542 Remote Similarity NPD6556 Clinical (unspecified phase)
0.654 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6516 Remote Similarity NPD7022 Phase 2
0.6507 Remote Similarity NPD4494 Approved
0.6507 Remote Similarity NPD4492 Approved
0.6502 Remote Similarity NPD7317 Phase 3
0.6498 Remote Similarity NPD8430 Approved
0.6496 Remote Similarity NPD5507 Approved
0.6496 Remote Similarity NPD5506 Approved
0.649 Remote Similarity NPD5847 Phase 1
0.6489 Remote Similarity NPD7891 Discontinued
0.6486 Remote Similarity NPD7565 Approved
0.6485 Remote Similarity NPD3442 Approved
0.6485 Remote Similarity NPD3441 Approved
0.6481 Remote Similarity NPD6393 Clinical (unspecified phase)
0.648 Remote Similarity NPD8463 Approved
0.6476 Remote Similarity NPD2907 Approved
0.6476 Remote Similarity NPD2906 Approved
0.6476 Remote Similarity NPD4082 Approved
0.6471 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6468 Remote Similarity NPD8356 Approved
0.6456 Remote Similarity NPD3263 Phase 3
0.6453 Remote Similarity NPD980 Clinical (unspecified phase)
0.645 Remote Similarity NPD4667 Clinical (unspecified phase)
0.645 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6449 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6449 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6449 Remote Similarity NPD6716 Phase 1
0.6438 Remote Similarity NPD7570 Approved
0.6438 Remote Similarity NPD7569 Approved
0.6432 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6432 Remote Similarity NPD6625 Approved
0.6429 Remote Similarity NPD6238 Discontinued
0.6429 Remote Similarity NPD8255 Phase 2
0.6425 Remote Similarity NPD8249 Clinical (unspecified phase)
0.6419 Remote Similarity NPD5645 Phase 3
0.6415 Remote Similarity NPD3965 Phase 1
0.6406 Remote Similarity NPD4515 Suspended
0.6398 Remote Similarity NPD4443 Clinical (unspecified phase)
0.6394 Remote Similarity NPD6037 Discontinued
0.6391 Remote Similarity NPD4493 Discontinued
0.639 Remote Similarity NPD2842 Clinical (unspecified phase)
0.639 Remote Similarity NPD7031 Phase 1
0.639 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6388 Remote Similarity NPD6807 Phase 3
0.6388 Remote Similarity NPD6905 Phase 2
0.6385 Remote Similarity NPD5557 Phase 1
0.6381 Remote Similarity NPD2215 Approved
0.6381 Remote Similarity NPD2216 Approved
0.638 Remote Similarity NPD7256 Discontinued
0.6379 Remote Similarity NPD4897 Phase 2
0.6376 Remote Similarity NPD1898 Discontinued
0.6376 Remote Similarity NPD3592 Approved
0.6376 Remote Similarity NPD3591 Approved
0.6376 Remote Similarity NPD4435 Approved
0.6372 Remote Similarity NPD3802 Phase 3
0.6371 Remote Similarity NPD7820 Phase 3
0.6367 Remote Similarity NPD8016 Phase 3
0.6367 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6367 Remote Similarity NPD7560 Approved
0.6364 Remote Similarity NPD3888 Discontinued
0.6364 Remote Similarity NPD2247 Approved
0.6364 Remote Similarity NPD4740 Approved
0.6364 Remote Similarity NPD2249 Approved
0.6364 Remote Similarity NPD5866 Approved
0.6359 Remote Similarity NPD6339 Approved
0.6359 Remote Similarity NPD6340 Approved
0.6359 Remote Similarity NPD6063 Approved
0.6356 Remote Similarity NPD7476 Discontinued
0.6351 Remote Similarity NPD5078 Clinical (unspecified phase)
0.6348 Remote Similarity NPD3893 Discontinued
0.6345 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6341 Remote Similarity NPD1769 Discontinued
0.634 Remote Similarity NPD6974 Phase 3
0.6337 Remote Similarity NPD8330 Clinical (unspecified phase)
0.6336 Remote Similarity NPD4455 Discontinued
0.6332 Remote Similarity NPD4022 Approved
0.6332 Remote Similarity NPD3472 Approved
0.633 Remote Similarity NPD4434 Approved
0.6329 Remote Similarity NPD8311 Discontinued
0.6327 Remote Similarity NPD5848 Clinical (unspecified phase)
0.6323 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6318 Remote Similarity NPD6058 Phase 2
0.6318 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6318 Remote Similarity NPD8491 Approved
0.6313 Remote Similarity NPD6851 Approved
0.6313 Remote Similarity NPD6853 Approved
0.6313 Remote Similarity NPD6557 Phase 2
0.6307 Remote Similarity NPD5479 Discontinued
0.6306 Remote Similarity NPD4771 Phase 2
0.6306 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6304 Remote Similarity NPD4710 Clinical (unspecified phase)
0.6303 Remote Similarity NPD7687 Clinical (unspecified phase)
0.6301 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6292 Remote Similarity NPD8469 Approved
0.6291 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6291 Remote Similarity NPD3909 Discontinued
0.6288 Remote Similarity NPD7263 Phase 2
0.6287 Remote Similarity NPD7805 Phase 3
0.6284 Remote Similarity NPD6967 Phase 2
0.6283 Remote Similarity NPD6604 Discontinued
0.6282 Remote Similarity NPD7475 Clinical (unspecified phase)
0.6281 Remote Similarity NPD5481 Discontinued
0.6281 Remote Similarity NPD7688 Phase 1
0.6281 Remote Similarity NPD8067 Phase 3
0.6277 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6277 Remote Similarity NPD3372 Discontinued
0.6276 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6275 Remote Similarity NPD7417 Discontinued
0.6274 Remote Similarity NPD2246 Approved
0.6274 Remote Similarity NPD3953 Clinical (unspecified phase)
0.6274 Remote Similarity NPD2248 Approved
0.6274 Remote Similarity NPD3951 Phase 3
0.6274 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6274 Remote Similarity NPD3952 Approved
0.6273 Remote Similarity NPD7630 Phase 3
0.6273 Remote Similarity NPD7628 Phase 3
0.6273 Remote Similarity NPD1986 Approved
0.6273 Remote Similarity NPD7629 Clinical (unspecified phase)
0.6273 Remote Similarity NPD4259 Approved
0.6273 Remote Similarity NPD4258 Approved
0.6273 Remote Similarity NPD2843 Phase 2
0.6273 Remote Similarity NPD2845 Phase 2
0.6272 Remote Similarity NPD4456 Clinical (unspecified phase)
0.6268 Remote Similarity NPD8303 Discontinued
0.6267 Remote Similarity NPD7281 Phase 3
0.6267 Remote Similarity NPD7280 Phase 3
0.6261 Remote Similarity NPD4539 Phase 1
0.6261 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6256 Remote Similarity NPD2779 Approved
0.6255 Remote Similarity NPD8460 Approved
0.6255 Remote Similarity NPD8459 Approved
0.625 Remote Similarity NPD4871 Phase 2
0.625 Remote Similarity NPD3692 Discontinued
0.625 Remote Similarity NPD5640 Discontinued
0.625 Remote Similarity NPD7603 Discontinued
0.625 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6245 Remote Similarity NPD8363 Approved
0.6245 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6245 Remote Similarity NPD3006 Discontinued
0.6245 Remote Similarity NPD8364 Approved
0.6244 Remote Similarity NPD5938 Phase 3
0.6239 Remote Similarity NPD7559 Phase 2
0.6239 Remote Similarity NPD4496 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   122799
ChEMBL   CHEMBL413035
ZINC  

Physicochemical Properties

Molecular Weight:  1282.66
ALogP:  -6.095
MLogP:  5.42
XLogP:  3.406
# Rotatable Bonds:  31
Polar Surface Area:  369.5
# H-Bond Aceptor:  27
# H-Bond Donor:  5
# Rings:  7
# Heavy Atoms:  92

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Structure MOL file  
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Biological Activities  
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