Natural Product: NPC176226

Natural Product ID:  NPC176226
Common Name:   Desmethoxymajusculamide C
IUPAC Name:   (2S,8S,14S,17S,20S,25S,28R,29S)-17-benzyl-2,8-bis[(2S)-butan-2-yl]-28-ethyl-7,13,16,20,22,22,25,29-octamethyl-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Synonyms:   Desmethoxymajusculamide C
Molecular Formula:   C49H78N8O11
Standard InCHIKey:  FBFVXSBCWUNIQI-XPQZGKFDSA-N
Standard InCHI:  InChI=1S/C49H78N8O11/c1-16-28(6)39-44(63)50-25-36(58)56(14)38(27(4)5)46(65)55(13)35(24-33-22-20-19-21-23-33)43(62)52-31(9)41(60)49(11,12)48(67)53-32(10)42(61)54-34(18-3)30(8)47(66)68-40(29(7)17-2)45(64)51-26-37(59)57(39)15/h19-23,27-32,34-35,38-40H,16-18,24-26H2,1-15H3,(H,50,63)(H,51,64)(H,52,62)(H,53,67)(H,54,61)/t28-,29-,30-,31-,32-,34+,35-,38-,39-,40-/m0/s1
Canonical SMILES:  CC[C@@H]([C@H]1C(=NCC(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=N[C@@H](C)C(=O)C(C)(C)C(=N[C@H](C(=N[C@@H]([C@@H](C(=O)O[C@H](C(=NCC(=O)N1C)O)[C@H](CC)C)C)CC)O)C)O)O)O)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
NPO26389 Lyngbya majuscula Species Oscillatoriaceae Bacteria PMID[19489598]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens Activity > 10.5 nM 18024111
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 20 nM 15730255
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 63 nM 15730255
NPT2 Others Unspecified Ratio IC50 = 10 10543891
NPT400 Cell Line MDA-MB-435 Homo sapiens Ratio IC50 = 5 10543891
NPT2 Others Unspecified Ratio IC50 = 5 10543891
NPT2 Others Unspecified IC50 > 1000 nM 10543891
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 = 220 nM 10543891
NPT32 Organism Mus musculus Mus musculus Activity = 2.5 mg/kg 11430012
NPT393 Cell Line HCT-116 Homo sapiens Activity = 2.1 nM 20483615
NPT393 Cell Line HCT-116 Homo sapiens Activity > 10.5 nM 20483615

  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 NPC176226 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
0.9697 High Similarity NPC476259
0.9624 High Similarity NPC168113
0.9552 High Similarity NPC197682
0.8832 High Similarity NPC127741
0.8832 High Similarity NPC68865
0.8705 High Similarity NPC268841
0.8705 High Similarity NPC307357
0.8705 High Similarity NPC46098
0.8657 High Similarity NPC319766
0.8562 High Similarity NPC473693
0.8562 High Similarity NPC471568
0.8511 High Similarity NPC469427
0.8511 High Similarity NPC469426
0.8472 Intermediate Similarity NPC145113
0.8451 Intermediate Similarity NPC139326
0.844 Intermediate Similarity NPC239762
0.844 Intermediate Similarity NPC163392
0.8429 Intermediate Similarity NPC471264
0.8429 Intermediate Similarity NPC471265
0.838 Intermediate Similarity NPC269398
0.838 Intermediate Similarity NPC263493
0.8367 Intermediate Similarity NPC162104
0.8356 Intermediate Similarity NPC2501
0.8345 Intermediate Similarity NPC135121
0.8333 Intermediate Similarity NPC201244
0.8333 Intermediate Similarity NPC477217
0.8333 Intermediate Similarity NPC297145
0.8333 Intermediate Similarity NPC197743
0.8333 Intermediate Similarity NPC5620
0.8322 Intermediate Similarity NPC161069
0.8264 Intermediate Similarity NPC52748
0.8258 Intermediate Similarity NPC186617
0.8258 Intermediate Similarity NPC237420
0.8239 Intermediate Similarity NPC178662
0.8239 Intermediate Similarity NPC92784
0.8239 Intermediate Similarity NPC476133
0.8239 Intermediate Similarity NPC470884
0.8239 Intermediate Similarity NPC98424
0.8214 Intermediate Similarity NPC287401
0.8207 Intermediate Similarity NPC316008
0.8207 Intermediate Similarity NPC209509
0.8207 Intermediate Similarity NPC313867
0.8188 Intermediate Similarity NPC122590
0.8163 Intermediate Similarity NPC471820
0.8163 Intermediate Similarity NPC471821
0.8151 Intermediate Similarity NPC314358
0.8151 Intermediate Similarity NPC262077
0.8138 Intermediate Similarity NPC476978
0.8138 Intermediate Similarity NPC314388
0.8138 Intermediate Similarity NPC315283
0.8108 Intermediate Similarity NPC129666
0.8105 Intermediate Similarity NPC471527
0.8095 Intermediate Similarity NPC138775
0.8082 Intermediate Similarity NPC315266
0.8041 Intermediate Similarity NPC105717
0.8039 Intermediate Similarity NPC1390
0.8039 Intermediate Similarity NPC62104
0.8014 Intermediate Similarity NPC246079
0.7985 Intermediate Similarity NPC470546
0.791 Intermediate Similarity NPC470545
0.7902 Intermediate Similarity NPC248283
0.7885 Intermediate Similarity NPC471052
0.7885 Intermediate Similarity NPC471051
0.7885 Intermediate Similarity NPC471053
0.7852 Intermediate Similarity NPC329761
0.7852 Intermediate Similarity NPC225648
0.7836 Intermediate Similarity NPC470544
0.7834 Intermediate Similarity NPC5719
0.7834 Intermediate Similarity NPC217804
0.7834 Intermediate Similarity NPC210377
0.7834 Intermediate Similarity NPC22883
0.7829 Intermediate Similarity NPC286551
0.7829 Intermediate Similarity NPC473341
0.7826 Intermediate Similarity NPC46427
0.7826 Intermediate Similarity NPC6975
0.7817 Intermediate Similarity NPC130309
0.78 Intermediate Similarity NPC240848
0.7785 Intermediate Similarity NPC15068
0.7778 Intermediate Similarity NPC169328
0.7754 Intermediate Similarity NPC252878
0.7737 Intermediate Similarity NPC478015
0.7737 Intermediate Similarity NPC478016
0.7737 Intermediate Similarity NPC477061
0.7737 Intermediate Similarity NPC478014
0.7737 Intermediate Similarity NPC45777
0.7736 Intermediate Similarity NPC63040
0.7721 Intermediate Similarity NPC310467
0.7718 Intermediate Similarity NPC322878
0.7714 Intermediate Similarity NPC101719
0.7704 Intermediate Similarity NPC239357
0.7697 Intermediate Similarity NPC475168
0.7697 Intermediate Similarity NPC7817
0.7681 Intermediate Similarity NPC202521
0.7647 Intermediate Similarity NPC300443
0.7643 Intermediate Similarity NPC222466
0.764 Intermediate Similarity NPC196091
0.7619 Intermediate Similarity NPC132636
0.7609 Intermediate Similarity NPC476990
0.7609 Intermediate Similarity NPC200964
0.7607 Intermediate Similarity NPC477462
0.7607 Intermediate Similarity NPC26108
0.7595 Intermediate Similarity NPC73655
0.7591 Intermediate Similarity NPC314992
0.7569 Intermediate Similarity NPC255447
0.7561 Intermediate Similarity NPC50016
0.7554 Intermediate Similarity NPC71684
0.7552 Intermediate Similarity NPC473322
0.7548 Intermediate Similarity NPC470902
0.7546 Intermediate Similarity NPC248670
0.7518 Intermediate Similarity NPC22746
0.75 Intermediate Similarity NPC471165
0.75 Intermediate Similarity NPC473354
0.75 Intermediate Similarity NPC300315
0.7483 Intermediate Similarity NPC152850
0.7483 Intermediate Similarity NPC71933
0.7483 Intermediate Similarity NPC105114
0.7483 Intermediate Similarity NPC239990
0.7483 Intermediate Similarity NPC89923
0.7465 Intermediate Similarity NPC47667
0.7445 Intermediate Similarity NPC2265
0.7439 Intermediate Similarity NPC273755
0.7434 Intermediate Similarity NPC81026
0.7431 Intermediate Similarity NPC111428
0.7423 Intermediate Similarity NPC475204
0.7423 Intermediate Similarity NPC40234
0.7423 Intermediate Similarity NPC475123
0.7413 Intermediate Similarity NPC136453
0.7394 Intermediate Similarity NPC476241
0.7394 Intermediate Similarity NPC476260
0.7368 Intermediate Similarity NPC266741
0.7365 Intermediate Similarity NPC45037
0.7353 Intermediate Similarity NPC276949
0.7353 Intermediate Similarity NPC35850
0.7351 Intermediate Similarity NPC77905
0.7343 Intermediate Similarity NPC476125
0.7343 Intermediate Similarity NPC476179
0.7329 Intermediate Similarity NPC157311
0.7325 Intermediate Similarity NPC39431
0.7324 Intermediate Similarity NPC35996
0.7317 Intermediate Similarity NPC46009
0.7315 Intermediate Similarity NPC6570
0.7301 Intermediate Similarity NPC107938
0.7301 Intermediate Similarity NPC209463
0.7301 Intermediate Similarity NPC294516
0.7299 Intermediate Similarity NPC33742
0.7297 Intermediate Similarity NPC141050
0.7296 Intermediate Similarity NPC324850
0.7289 Intermediate Similarity NPC326407
0.7289 Intermediate Similarity NPC317362
0.7289 Intermediate Similarity NPC318930
0.7289 Intermediate Similarity NPC317725
0.7289 Intermediate Similarity NPC476227
0.7284 Intermediate Similarity NPC63931
0.7284 Intermediate Similarity NPC472923
0.7279 Intermediate Similarity NPC8761
0.7279 Intermediate Similarity NPC44805
0.7278 Intermediate Similarity NPC476321
0.7273 Intermediate Similarity NPC230611
0.7262 Intermediate Similarity NPC475421
0.7256 Intermediate Similarity NPC473000
0.7235 Intermediate Similarity NPC471526
0.7234 Intermediate Similarity NPC476183
0.7234 Intermediate Similarity NPC190663
0.7234 Intermediate Similarity NPC80150
0.7229 Intermediate Similarity NPC306804
0.7229 Intermediate Similarity NPC137627
0.7205 Intermediate Similarity NPC469901
0.7203 Intermediate Similarity NPC474082
0.7203 Intermediate Similarity NPC175726
0.72 Intermediate Similarity NPC43755
0.7195 Intermediate Similarity NPC473502
0.7193 Intermediate Similarity NPC471049
0.7193 Intermediate Similarity NPC471048
0.7193 Intermediate Similarity NPC294951
0.7193 Intermediate Similarity NPC471050
0.7192 Intermediate Similarity NPC469666
0.7186 Intermediate Similarity NPC473402
0.7186 Intermediate Similarity NPC158277
0.7186 Intermediate Similarity NPC279871
0.7183 Intermediate Similarity NPC476184
0.7183 Intermediate Similarity NPC476281
0.717 Intermediate Similarity NPC244509
0.7169 Intermediate Similarity NPC89831
0.7159 Intermediate Similarity NPC65714
0.7153 Intermediate Similarity NPC474584
0.7153 Intermediate Similarity NPC273814
0.7143 Intermediate Similarity NPC200589
0.7143 Intermediate Similarity NPC469898
0.7143 Intermediate Similarity NPC24617
0.7135 Intermediate Similarity NPC470112
0.7135 Intermediate Similarity NPC470903
0.7135 Intermediate Similarity NPC167763
0.7134 Intermediate Similarity NPC473491
0.7133 Intermediate Similarity NPC160493
0.7099 Intermediate Similarity NPC114806
0.7083 Intermediate Similarity NPC476278
0.7083 Intermediate Similarity NPC155506
0.7083 Intermediate Similarity NPC159767
0.7079 Intermediate Similarity NPC473371
0.707 Intermediate Similarity NPC283783

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC176226 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
0.8169 Intermediate Similarity NPD8172 Phase 2
0.8169 Intermediate Similarity NPD8173 Phase 2
0.8028 Intermediate Similarity NPD8416 Discontinued
0.7847 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD8643 Discontinued
0.7703 Intermediate Similarity NPD8076 Discontinued
0.7591 Intermediate Similarity NPD2217 Approved
0.7591 Intermediate Similarity NPD2218 Phase 2
0.7571 Intermediate Similarity NPD2584 Suspended
0.7569 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD8265 Approved
0.75 Intermediate Similarity NPD8323 Discontinued
0.75 Intermediate Similarity NPD6852 Discontinued
0.7431 Intermediate Similarity NPD3626 Phase 3
0.7413 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD6901 Phase 3
0.7361 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD4152 Approved
0.7342 Intermediate Similarity NPD8417 Discontinued
0.7303 Intermediate Similarity NPD6681 Discovery
0.7296 Intermediate Similarity NPD7749 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD4177 Approved
0.7192 Intermediate Similarity NPD4175 Approved
0.719 Intermediate Similarity NPD6119 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD4153 Approved
0.7179 Intermediate Similarity NPD6088 Approved
0.7163 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4125 Approved
0.7123 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD8315 Phase 1
0.7099 Intermediate Similarity NPD4557 Approved
0.7095 Intermediate Similarity NPD4738 Phase 2
0.7086 Intermediate Similarity NPD6073 Approved
0.7086 Intermediate Similarity NPD5725 Approved
0.7067 Intermediate Similarity NPD6623 Phase 3
0.7034 Intermediate Similarity NPD4677 Discontinued
0.7032 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD2022 Approved
0.7 Intermediate Similarity NPD1348 Approved
0.7 Intermediate Similarity NPD3561 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7599 Phase 2
0.6993 Remote Similarity NPD7728 Clinical (unspecified phase)
0.6993 Remote Similarity NPD7342 Discontinued
0.6986 Remote Similarity NPD5367 Discontinued
0.6986 Remote Similarity NPD3125 Approved
0.698 Remote Similarity NPD2045 Approved
0.698 Remote Similarity NPD2051 Approved
0.698 Remote Similarity NPD2046 Approved
0.698 Remote Similarity NPD21 Approved
0.698 Remote Similarity NPD2047 Approved
0.698 Remote Similarity NPD2049 Clinical (unspecified phase)
0.698 Remote Similarity NPD2043 Approved
0.698 Remote Similarity NPD2050 Clinical (unspecified phase)
0.698 Remote Similarity NPD2044 Approved
0.698 Remote Similarity NPD2048 Approved
0.6968 Remote Similarity NPD2436 Approved
0.6968 Remote Similarity NPD2437 Approved
0.6966 Remote Similarity NPD3071 Approved
0.6966 Remote Similarity NPD3073 Approved
0.6966 Remote Similarity NPD3072 Approved
0.6959 Remote Similarity NPD3040 Approved
0.6951 Remote Similarity NPD7600 Phase 2
0.6928 Remote Similarity NPD6295 Approved
0.6928 Remote Similarity NPD8303 Discontinued
0.6928 Remote Similarity NPD6294 Approved
0.6923 Remote Similarity NPD8124 Phase 3
0.6923 Remote Similarity NPD8126 Clinical (unspecified phase)
0.6903 Remote Similarity NPD2087 Approved
0.6903 Remote Similarity NPD2088 Approved
0.6897 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4762 Approved
0.6897 Remote Similarity NPD4761 Approved
0.6894 Remote Similarity NPD4646 Approved
0.6894 Remote Similarity NPD4648 Approved
0.6894 Remote Similarity NPD4647 Approved
0.6892 Remote Similarity NPD3604 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7634 Clinical (unspecified phase)
0.6887 Remote Similarity NPD5747 Discontinued
0.6886 Remote Similarity NPD4508 Discontinued
0.6883 Remote Similarity NPD3480 Approved
0.6883 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5230 Approved
0.6875 Remote Similarity NPD7613 Discontinued
0.6875 Remote Similarity NPD5229 Approved
0.6871 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4782 Clinical (unspecified phase)
0.6855 Remote Similarity NPD6631 Clinical (unspecified phase)
0.6849 Remote Similarity NPD7814 Approved
0.6848 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5296 Approved
0.6842 Remote Similarity NPD5323 Approved
0.6831 Remote Similarity NPD5291 Approved
0.6831 Remote Similarity NPD5292 Approved
0.6821 Remote Similarity NPD1330 Phase 2
0.6821 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6807 Remote Similarity NPD8351 Phase 2
0.6806 Remote Similarity NPD5981 Approved
0.6805 Remote Similarity NPD7608 Discontinued
0.68 Remote Similarity NPD4676 Approved
0.68 Remote Similarity NPD2613 Approved
0.68 Remote Similarity NPD5263 Approved
0.6795 Remote Similarity NPD7978 Discontinued
0.6795 Remote Similarity NPD7720 Phase 2
0.679 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6783 Remote Similarity NPD7522 Discontinued
0.6781 Remote Similarity NPD2610 Approved
0.6781 Remote Similarity NPD3132 Approved
0.6781 Remote Similarity NPD3131 Approved
0.6781 Remote Similarity NPD4216 Approved
0.6781 Remote Similarity NPD2611 Approved
0.6781 Remote Similarity NPD2612 Approved
0.6781 Remote Similarity NPD4218 Approved
0.6781 Remote Similarity NPD4217 Approved
0.6781 Remote Similarity NPD4215 Approved
0.6781 Remote Similarity NPD2608 Approved
0.6781 Remote Similarity NPD2609 Approved
0.6779 Remote Similarity NPD3588 Discontinued
0.6776 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6772 Remote Similarity NPD1967 Approved
0.6772 Remote Similarity NPD5298 Clinical (unspecified phase)
0.6772 Remote Similarity NPD1968 Approved
0.6772 Remote Similarity NPD6676 Phase 2
0.677 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6763 Remote Similarity NPD3644 Approved
0.6763 Remote Similarity NPD3643 Approved
0.6763 Remote Similarity NPD3642 Approved
0.675 Remote Similarity NPD3987 Approved
0.675 Remote Similarity NPD5613 Approved
0.675 Remote Similarity NPD5614 Approved
0.675 Remote Similarity NPD3988 Approved
0.6732 Remote Similarity NPD4791 Clinical (unspecified phase)
0.673 Remote Similarity NPD6552 Clinical (unspecified phase)
0.6715 Remote Similarity NPD7130 Phase 3
0.6712 Remote Similarity NPD7815 Approved
0.6712 Remote Similarity NPD7813 Approved
0.6711 Remote Similarity NPD2078 Clinical (unspecified phase)
0.6711 Remote Similarity NPD5581 Approved
0.6711 Remote Similarity NPD5299 Approved
0.6707 Remote Similarity NPD7267 Clinical (unspecified phase)
0.6707 Remote Similarity NPD2891 Approved
0.6687 Remote Similarity NPD8290 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2570 Approved
0.6667 Remote Similarity NPD2571 Approved
0.6667 Remote Similarity NPD3088 Approved
0.6667 Remote Similarity NPD3089 Approved
0.6667 Remote Similarity NPD4746 Phase 3
0.6667 Remote Similarity NPD4745 Approved
0.6667 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2573 Approved
0.6667 Remote Similarity NPD3615 Approved
0.6667 Remote Similarity NPD2574 Discontinued
0.6667 Remote Similarity NPD8118 Discontinued
0.6667 Remote Similarity NPD3616 Approved
0.6667 Remote Similarity NPD3090 Approved
0.6667 Remote Similarity NPD2566 Approved
0.6667 Remote Similarity NPD3087 Approved
0.6667 Remote Similarity NPD2607 Approved
0.6667 Remote Similarity NPD3614 Approved
0.6647 Remote Similarity NPD7485 Phase 3
0.6647 Remote Similarity NPD7484 Phase 3
0.6645 Remote Similarity NPD4794 Discontinued
0.6644 Remote Similarity NPD6325 Discontinued
0.6642 Remote Similarity NPD1040 Phase 2
0.6628 Remote Similarity NPD7964 Clinical (unspecified phase)
0.6628 Remote Similarity NPD7965 Phase 2
0.6624 Remote Similarity NPD7512 Approved
0.6624 Remote Similarity NPD7511 Approved
0.6609 Remote Similarity NPD5681 Clinical (unspecified phase)
0.6605 Remote Similarity NPD4682 Phase 2
0.6605 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5264 Approved
0.6604 Remote Similarity NPD5265 Approved
0.6603 Remote Similarity NPD4214 Discontinued
0.6601 Remote Similarity NPD7908 Discontinued
0.66 Remote Similarity NPD2159 Approved
0.66 Remote Similarity NPD2627 Approved
0.66 Remote Similarity NPD2628 Approved
0.66 Remote Similarity NPD2160 Approved
0.66 Remote Similarity NPD2626 Approved
0.66 Remote Similarity NPD2625 Approved
0.6597 Remote Similarity NPD3123 Discovery
0.6594 Remote Similarity NPD5705 Approved
0.6594 Remote Similarity NPD5704 Approved
0.6594 Remote Similarity NPD5706 Approved
0.6592 Remote Similarity NPD7683 Discontinued
0.6584 Remote Similarity NPD3519 Discontinued
0.6581 Remote Similarity NPD4686 Approved
0.6581 Remote Similarity NPD4685 Phase 3
0.6581 Remote Similarity NPD4684 Phase 3
0.6581 Remote Similarity NPD4757 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6556 Remote Similarity NPD4151 Approved
0.6552 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6543 Remote Similarity NPD2016 Approved
0.6543 Remote Similarity NPD2014 Approved
0.6543 Remote Similarity NPD2013 Approved
0.6541 Remote Similarity NPD5341 Clinical (unspecified phase)
0.6533 Remote Similarity NPD6792 Phase 3

Structure

External Identifiers

PubChem CID   44179712
ChEMBL   CHEMBL538623
ZINC  

Physicochemical Properties

Molecular Weight:  954.58
ALogP:  -2.3655
MLogP:  4.76
XLogP:  5.676
# Rotatable Bonds:  28
Polar Surface Area:  267.25
# H-Bond Aceptor:  19
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  68

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