Natural Product: NPC77905

Natural Product ID:  NPC77905
Common Name:   Septocylindrin A
IUPAC Name:  
Synonyms:   septocylindrin A
Molecular Formula:   C94H155N23O25
Standard InCHIKey:  KYDAQHIPEIKSPP-FJZKTHDKSA-N
Standard InCHI:  InChI=1S/C94H155N23O25/c1-49(2)45-60(74(130)111-94(24,25)86(142)116-42-29-33-61(116)75(131)106-67(50(3)4)77(133)114-92(20,21)84(140)115-91(18,19)82(138)105-58(37-40-66(123)124)72(128)104-57(35-38-63(95)120)71(127)101-56(47-97-41-44-118)46-55-31-27-26-28-32-55)102-65(122)48-98-79(135)87(10,11)113-78(134)68(51(5)6)107-83(139)90(16,17)110-73(129)59(36-39-64(96)121)103-69(125)52(7)99-80(136)88(12,13)109-70(126)53(8)100-81(137)89(14,15)112-76(132)62-34-30-43-117(62)85(141)93(22,23)108-54(9)119/h26-28,31-32,49-53,56-62,67-68,97,118H,29-30,33-48H2,1-25H3,(H2,95,120)(H2,96,121)(H,98,135)(H,99,136)(H,100,137)(H,101,127)(H,102,122)(H,103,125)(H,104,128)(H,105,138)(H,106,131)(H,107,139)(H,108,119)(H,109,126)(H,110,129)(H,111,130)(H,112,132)(H,113,134)(H,114,133)(H,115,140)(H,123,124)/t52-,53-,56-,57-,58-,59-,60-,61-,62-,67-,68-/m0/s1
Canonical SMILES:  OCCNC[C@@H](N=C([C@@H](N=C([C@@H](N=C(C(N=C(C(N=C([C@H](C(C)C)N=C([C@@H]1CCCN1C(=O)C(N=C([C@@H](N=C(CN=C(C(N=C([C@H](C(C)C)N=C(C(N=C([C@@H](N=C([C@@H](N=C(C(N=C([C@@H](N=C(C(N=C([C@@H]1CCCN1C(=O)C(N=C(O)C)(C)C)O)(C)C)O)C)O)(C)C)O)C)O)CCC(=N)O)O)(C)C)O)O)(C)C)O)O)CC(C)C)O)(C)C)O)O)(C)C)O)(C)C)O)CCC(=O)O)O)CCC(=N)O)O)Cc1ccccc1
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
NPO33032 septocylindrium sp. ll-z1518 Species NA NA PMID[17288478]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32 ug/ml 16872133
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 16872133
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 16 ug/ml 16872133
NPT19 Organism Escherichia coli Escherichia coli MIC = 32 ug/ml 16872133
NPT19 Organism Escherichia coli Escherichia coli MIC > 128 ug/ml 15568791
NPT20 Organism Candida albicans Candida albicans MIC = 32 ug/ml 15568791

  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 NPC77905 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
0.9248 High Similarity NPC141050
0.8333 Intermediate Similarity NPC315266
0.8333 Intermediate Similarity NPC130309
0.8264 Intermediate Similarity NPC52748
0.8264 Intermediate Similarity NPC476978
0.8258 Intermediate Similarity NPC473000
0.8224 Intermediate Similarity NPC469901
0.8214 Intermediate Similarity NPC287401
0.8108 Intermediate Similarity NPC2501
0.8088 Intermediate Similarity NPC6975
0.8067 Intermediate Similarity NPC473341
0.8054 Intermediate Similarity NPC7817
0.8054 Intermediate Similarity NPC475168
0.8041 Intermediate Similarity NPC471820
0.8041 Intermediate Similarity NPC471821
0.8027 Intermediate Similarity NPC314358
0.8013 Intermediate Similarity NPC470902
0.8 Intermediate Similarity NPC200964
0.7974 Intermediate Similarity NPC324850
0.7961 Intermediate Similarity NPC469903
0.7959 Intermediate Similarity NPC313867
0.7959 Intermediate Similarity NPC316008
0.7947 Intermediate Similarity NPC122590
0.7941 Intermediate Similarity NPC202521
0.7891 Intermediate Similarity NPC315283
0.7891 Intermediate Similarity NPC314388
0.7872 Intermediate Similarity NPC200589
0.7868 Intermediate Similarity NPC476990
0.7826 Intermediate Similarity NPC46427
0.7808 Intermediate Similarity NPC239762
0.7808 Intermediate Similarity NPC163392
0.7806 Intermediate Similarity NPC469898
0.7793 Intermediate Similarity NPC471264
0.7793 Intermediate Similarity NPC471265
0.7785 Intermediate Similarity NPC262077
0.7778 Intermediate Similarity NPC469900
0.7756 Intermediate Similarity NPC469902
0.7754 Intermediate Similarity NPC252878
0.7742 Intermediate Similarity NPC197743
0.7742 Intermediate Similarity NPC297145
0.774 Intermediate Similarity NPC92784
0.774 Intermediate Similarity NPC470884
0.774 Intermediate Similarity NPC476133
0.774 Intermediate Similarity NPC178662
0.774 Intermediate Similarity NPC98424
0.7692 Intermediate Similarity NPC255447
0.7692 Intermediate Similarity NPC62104
0.7692 Intermediate Similarity NPC1390
0.7682 Intermediate Similarity NPC240848
0.7662 Intermediate Similarity NPC473002
0.7622 Intermediate Similarity NPC300315
0.7619 Intermediate Similarity NPC132636
0.7607 Intermediate Similarity NPC477462
0.7606 Intermediate Similarity NPC319766
0.7602 Intermediate Similarity NPC477631
0.76 Intermediate Similarity NPC5620
0.759 Intermediate Similarity NPC477637
0.7588 Intermediate Similarity NPC477636
0.7568 Intermediate Similarity NPC476259
0.7562 Intermediate Similarity NPC61004
0.7554 Intermediate Similarity NPC71684
0.7552 Intermediate Similarity NPC111428
0.7532 Intermediate Similarity NPC471527
0.7532 Intermediate Similarity NPC300443
0.7516 Intermediate Similarity NPC63040
0.75 Intermediate Similarity NPC89489
0.75 Intermediate Similarity NPC22883
0.75 Intermediate Similarity NPC210377
0.75 Intermediate Similarity NPC5719
0.75 Intermediate Similarity NPC217804
0.7484 Intermediate Similarity NPC56685
0.7483 Intermediate Similarity NPC209509
0.7483 Intermediate Similarity NPC322878
0.7471 Intermediate Similarity NPC477639
0.7469 Intermediate Similarity NPC469904
0.7464 Intermediate Similarity NPC470546
0.7453 Intermediate Similarity NPC15068
0.7423 Intermediate Similarity NPC46009
0.7421 Intermediate Similarity NPC473003
0.7419 Intermediate Similarity NPC162104
0.7414 Intermediate Similarity NPC477638
0.7414 Intermediate Similarity NPC477632
0.7403 Intermediate Similarity NPC129666
0.74 Intermediate Similarity NPC269398
0.74 Intermediate Similarity NPC263493
0.74 Intermediate Similarity NPC168113
0.7391 Intermediate Similarity NPC470545
0.7386 Intermediate Similarity NPC311658
0.7378 Intermediate Similarity NPC328494
0.7372 Intermediate Similarity NPC262166
0.7351 Intermediate Similarity NPC197682
0.7351 Intermediate Similarity NPC176226
0.7351 Intermediate Similarity NPC161069
0.7343 Intermediate Similarity NPC101719
0.7333 Intermediate Similarity NPC46098
0.7333 Intermediate Similarity NPC307357
0.7333 Intermediate Similarity NPC268841
0.7324 Intermediate Similarity NPC175726
0.7324 Intermediate Similarity NPC474082
0.7319 Intermediate Similarity NPC239357
0.7319 Intermediate Similarity NPC14672
0.7319 Intermediate Similarity NPC285926
0.7319 Intermediate Similarity NPC470544
0.7319 Intermediate Similarity NPC315276
0.7317 Intermediate Similarity NPC475123
0.7317 Intermediate Similarity NPC475204
0.731 Intermediate Similarity NPC473322
0.7305 Intermediate Similarity NPC473001
0.7297 Intermediate Similarity NPC248283
0.7278 Intermediate Similarity NPC244509
0.7273 Intermediate Similarity NPC222466
0.725 Intermediate Similarity NPC24617
0.7205 Intermediate Similarity NPC114806
0.72 Intermediate Similarity NPC68865
0.72 Intermediate Similarity NPC127741
0.7186 Intermediate Similarity NPC471165
0.7176 Intermediate Similarity NPC473404
0.7161 Intermediate Similarity NPC225648
0.7161 Intermediate Similarity NPC329761
0.7161 Intermediate Similarity NPC138775
0.716 Intermediate Similarity NPC73655
0.7153 Intermediate Similarity NPC474584
0.7153 Intermediate Similarity NPC22746
0.7152 Intermediate Similarity NPC5194
0.7152 Intermediate Similarity NPC261934
0.7152 Intermediate Similarity NPC202198
0.7143 Intermediate Similarity NPC201244
0.7143 Intermediate Similarity NPC477217
0.7143 Intermediate Similarity NPC244336
0.7133 Intermediate Similarity NPC314835
0.7124 Intermediate Similarity NPC139326
0.7118 Intermediate Similarity NPC472999
0.7081 Intermediate Similarity NPC323336
0.7081 Intermediate Similarity NPC326349
0.7073 Intermediate Similarity NPC63931
0.707 Intermediate Similarity NPC283783
0.7059 Intermediate Similarity NPC469426
0.7059 Intermediate Similarity NPC469427
0.7055 Intermediate Similarity NPC241794
0.7051 Intermediate Similarity NPC145113
0.7051 Intermediate Similarity NPC135121
0.7047 Intermediate Similarity NPC246079
0.7024 Intermediate Similarity NPC306804
0.7024 Intermediate Similarity NPC137627
0.6993 Remote Similarity NPC478015
0.6993 Remote Similarity NPC478016
0.6993 Remote Similarity NPC478014
0.6988 Remote Similarity NPC294516
0.6988 Remote Similarity NPC107938
0.6988 Remote Similarity NPC302597
0.6988 Remote Similarity NPC328649
0.6972 Remote Similarity NPC314992
0.697 Remote Similarity NPC472923
0.6963 Remote Similarity NPC327481
0.6939 Remote Similarity NPC477937
0.6929 Remote Similarity NPC33742
0.6923 Remote Similarity NPC273755
0.6918 Remote Similarity NPC473491
0.6909 Remote Similarity NPC471051
0.6909 Remote Similarity NPC471052
0.6909 Remote Similarity NPC471053
0.6903 Remote Similarity NPC468984
0.6899 Remote Similarity NPC105717
0.6882 Remote Similarity NPC473402
0.6882 Remote Similarity NPC26108
0.6879 Remote Similarity NPC314114
0.6864 Remote Similarity NPC230611
0.686 Remote Similarity NPC194671
0.686 Remote Similarity NPC45037
0.686 Remote Similarity NPC269750
0.6857 Remote Similarity NPC276949
0.6857 Remote Similarity NPC299806
0.6857 Remote Similarity NPC35850
0.6852 Remote Similarity NPC473580
0.6845 Remote Similarity NPC129486
0.6842 Remote Similarity NPC50016
0.6836 Remote Similarity NPC102959
0.6835 Remote Similarity NPC16188
0.6831 Remote Similarity NPC2265
0.6805 Remote Similarity NPC198254
0.6805 Remote Similarity NPC274198
0.6798 Remote Similarity NPC60516
0.6788 Remote Similarity NPC469243
0.6784 Remote Similarity NPC318930
0.6784 Remote Similarity NPC136797
0.6784 Remote Similarity NPC317362
0.6784 Remote Similarity NPC159767
0.6784 Remote Similarity NPC155506
0.6783 Remote Similarity NPC169328
0.6765 Remote Similarity NPC89831
0.6748 Remote Similarity NPC476268
0.6746 Remote Similarity NPC280022
0.6743 Remote Similarity NPC167763
0.6743 Remote Similarity NPC470112
0.6743 Remote Similarity NPC470903
0.6736 Remote Similarity NPC237420
0.6736 Remote Similarity NPC310467
0.6735 Remote Similarity NPC35996
0.6733 Remote Similarity NPC469666
0.6731 Remote Similarity NPC476989

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC77905 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
0.8 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7823 Intermediate Similarity NPD8076 Discontinued
0.774 Intermediate Similarity NPD6901 Phase 3
0.7698 Intermediate Similarity NPD2584 Suspended
0.7671 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD8172 Phase 2
0.7671 Intermediate Similarity NPD8173 Phase 2
0.7655 Intermediate Similarity NPD8416 Discontinued
0.7655 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD3071 Approved
0.7571 Intermediate Similarity NPD3073 Approved
0.7571 Intermediate Similarity NPD3072 Approved
0.7568 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD4175 Approved
0.7552 Intermediate Similarity NPD4177 Approved
0.7551 Intermediate Similarity NPD5725 Approved
0.75 Intermediate Similarity NPD4676 Approved
0.75 Intermediate Similarity NPD4762 Approved
0.75 Intermediate Similarity NPD4761 Approved
0.7432 Intermediate Similarity NPD6073 Approved
0.7413 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD3632 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD5263 Approved
0.7365 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD1329 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD1330 Phase 2
0.726 Intermediate Similarity NPD4125 Approved
0.7248 Intermediate Similarity NPD8643 Discontinued
0.7239 Intermediate Similarity NPD8303 Discontinued
0.723 Intermediate Similarity NPD5747 Discontinued
0.7226 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6088 Approved
0.7152 Intermediate Similarity NPD4126 Approved
0.7143 Intermediate Similarity NPD5265 Approved
0.7143 Intermediate Similarity NPD5264 Approved
0.7133 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD5301 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD5367 Discontinued
0.7095 Intermediate Similarity NPD4794 Discontinued
0.7075 Intermediate Similarity NPD3040 Approved
0.7067 Intermediate Similarity NPD4153 Approved
0.7067 Intermediate Similarity NPD5323 Approved
0.7034 Intermediate Similarity NPD4677 Discontinued
0.7032 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.6986 Remote Similarity NPD3125 Approved
0.6972 Remote Similarity NPD2218 Phase 2
0.6972 Remote Similarity NPD2217 Approved
0.6954 Remote Similarity NPD6623 Phase 3
0.6933 Remote Similarity NPD5299 Approved
0.6933 Remote Similarity NPD2078 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7964 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7965 Phase 2
0.6923 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6908 Remote Similarity NPD3908 Approved
0.6903 Remote Similarity NPD2087 Approved
0.6903 Remote Similarity NPD2088 Approved
0.6894 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6892 Remote Similarity NPD3608 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7613 Discontinued
0.6875 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5296 Approved
0.6835 Remote Similarity NPD8323 Discontinued
0.6824 Remote Similarity NPD8124 Phase 3
0.6824 Remote Similarity NPD8126 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6852 Discontinued
0.6779 Remote Similarity NPD4151 Approved
0.6779 Remote Similarity NPD3588 Discontinued
0.6759 Remote Similarity NPD7342 Discontinued
0.6752 Remote Similarity NPD6681 Discovery
0.6744 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6733 Remote Similarity NPD3626 Phase 3
0.6711 Remote Similarity NPD5581 Approved
0.671 Remote Similarity NPD6295 Approved
0.671 Remote Similarity NPD6294 Approved
0.6688 Remote Similarity NPD7720 Phase 2
0.6688 Remote Similarity NPD4757 Clinical (unspecified phase)
0.6688 Remote Similarity NPD2022 Approved
0.6687 Remote Similarity NPD4557 Approved
0.6687 Remote Similarity NPD4646 Approved
0.6687 Remote Similarity NPD3509 Approved
0.6687 Remote Similarity NPD8315 Phase 1
0.6687 Remote Similarity NPD4647 Approved
0.6687 Remote Similarity NPD4648 Approved
0.6687 Remote Similarity NPD3510 Approved
0.6667 Remote Similarity NPD5230 Approved
0.6667 Remote Similarity NPD3604 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5229 Approved
0.6647 Remote Similarity NPD6303 Approved
0.6647 Remote Similarity NPD6304 Approved
0.6645 Remote Similarity NPD2045 Approved
0.6645 Remote Similarity NPD2043 Approved
0.6645 Remote Similarity NPD2051 Approved
0.6645 Remote Similarity NPD2050 Clinical (unspecified phase)
0.6645 Remote Similarity NPD2044 Approved
0.6645 Remote Similarity NPD2047 Approved
0.6645 Remote Similarity NPD21 Approved
0.6645 Remote Similarity NPD2048 Approved
0.6645 Remote Similarity NPD2046 Approved
0.6645 Remote Similarity NPD2049 Clinical (unspecified phase)
0.6643 Remote Similarity NPD1348 Approved
0.6642 Remote Similarity NPD1040 Phase 2
0.66 Remote Similarity NPD3606 Clinical (unspecified phase)
0.6599 Remote Similarity NPD2956 Clinical (unspecified phase)
0.6594 Remote Similarity NPD7130 Phase 3
0.6579 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6573 Remote Similarity NPD747 Discontinued
0.6562 Remote Similarity NPD5298 Clinical (unspecified phase)
0.6561 Remote Similarity NPD4158 Clinical (unspecified phase)
0.6558 Remote Similarity NPD941 Approved
0.6543 Remote Similarity NPD3988 Approved
0.6543 Remote Similarity NPD3987 Approved
0.6513 Remote Similarity NPD5759 Approved
0.6513 Remote Similarity NPD7828 Discontinued
0.6509 Remote Similarity NPD4564 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4565 Clinical (unspecified phase)
0.65 Remote Similarity NPD3508 Approved
0.6497 Remote Similarity NPD4214 Discontinued
0.6493 Remote Similarity NPD8038 Phase 2
0.6488 Remote Similarity NPD4567 Approved
0.6488 Remote Similarity NPD4566 Approved
0.6481 Remote Similarity NPD3519 Discontinued
0.6478 Remote Similarity NPD7978 Discontinued
0.6477 Remote Similarity NPD6368 Clinical (unspecified phase)
0.646 Remote Similarity NPD1968 Approved
0.646 Remote Similarity NPD1967 Approved
0.6456 Remote Similarity NPD3480 Approved
0.6452 Remote Similarity NPD3561 Clinical (unspecified phase)
0.6442 Remote Similarity NPD5613 Approved
0.6442 Remote Similarity NPD5614 Approved
0.6438 Remote Similarity NPD2437 Approved
0.6438 Remote Similarity NPD2436 Approved
0.6438 Remote Similarity NPD6119 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4517 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3136 Phase 2
0.6429 Remote Similarity NPD8630 Approved
0.6424 Remote Similarity NPD6792 Phase 3
0.642 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6415 Remote Similarity NPD7512 Approved
0.6415 Remote Similarity NPD7511 Approved
0.6414 Remote Similarity NPD7508 Discontinued
0.6412 Remote Similarity NPD8351 Phase 2
0.6409 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6389 Remote Similarity NPD3598 Phase 3
0.6364 Remote Similarity NPD5638 Approved
0.6358 Remote Similarity NPD7484 Phase 3
0.6358 Remote Similarity NPD7485 Phase 3
0.6353 Remote Similarity NPD7600 Phase 2
0.6353 Remote Similarity NPD2097 Approved
0.6352 Remote Similarity NPD6865 Phase 2
0.6352 Remote Similarity NPD6864 Phase 2
0.6347 Remote Similarity NPD2603 Clinical (unspecified phase)
0.633 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6325 Remote Similarity NPD7523 Phase 3
0.6322 Remote Similarity NPD4652 Approved
0.6316 Remote Similarity NPD2031 Discontinued
0.6306 Remote Similarity NPD8265 Approved
0.6294 Remote Similarity NPD3642 Approved
0.6294 Remote Similarity NPD3644 Approved
0.6294 Remote Similarity NPD3643 Approved
0.6286 Remote Similarity NPD999 Phase 2
0.628 Remote Similarity NPD5308 Clinical (unspecified phase)
0.6279 Remote Similarity NPD2098 Approved
0.6275 Remote Similarity NPD3029 Clinical (unspecified phase)
0.6265 Remote Similarity NPD4731 Phase 3
0.6259 Remote Similarity NPD3123 Discovery
0.6258 Remote Similarity NPD6676 Phase 2
0.6242 Remote Similarity NPD2013 Approved
0.6242 Remote Similarity NPD2016 Approved
0.6242 Remote Similarity NPD2014 Approved
0.6242 Remote Similarity NPD5981 Approved
0.6235 Remote Similarity NPD3589 Clinical (unspecified phase)
0.6235 Remote Similarity NPD7495 Discontinued
0.6235 Remote Similarity NPD8019 Approved
0.6226 Remote Similarity NPD7510 Approved
0.6226 Remote Similarity NPD8125 Discontinued
0.6222 Remote Similarity NPD7841 Clinical (unspecified phase)
0.622 Remote Similarity NPD6552 Clinical (unspecified phase)
0.622 Remote Similarity NPD5309 Clinical (unspecified phase)
0.6218 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6216 Remote Similarity NPD3806 Clinical (unspecified phase)
0.6216 Remote Similarity NPD5076 Approved
0.6216 Remote Similarity NPD7522 Discontinued
0.6216 Remote Similarity NPD5077 Approved
0.6213 Remote Similarity NPD2891 Approved
0.6213 Remote Similarity NPD8417 Discontinued
0.6211 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6209 Remote Similarity NPD6557 Phase 2
0.6205 Remote Similarity NPD979 Approved
0.6205 Remote Similarity NPD5942 Approved
0.6205 Remote Similarity NPD5941 Approved
0.6199 Remote Similarity NPD7599 Phase 2
0.6196 Remote Similarity NPD5024 Approved

Structure

External Identifiers

PubChem CID   73353273
ChEMBL   CHEMBL2372609
ZINC  

Physicochemical Properties

Molecular Weight:  2006.16
ALogP:  0.2988
MLogP:  6.52
XLogP:  4.04
# Rotatable Bonds:  105
Polar Surface Area:  784.96
# H-Bond Aceptor:  48
# H-Bond Donor:  25
# Rings:  3
# Heavy Atoms:  142

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