Natural Product: NPC469902

Natural Product ID:  NPC469902
Common Name:   Callyaerin E
IUPAC Name:  
Synonyms:   Callyaerin E
Molecular Formula:   C66H94N12O13
Standard InCHIKey:  BTRIZPBNCILIDH-KONYCJQDSA-N
Standard InCHI:  InChI=1S/C66H94N12O13/c1-9-40(7)54(60(85)68-37-52(79)80)74-62(87)55(41(8)10-2)73-59(84)49-26-18-30-76(49)65(90)47-36-67-45(33-38(3)4)63(88)75-29-17-25-48(75)57(82)69-44(34-42-21-13-11-14-22-42)56(81)70-46(35-43-23-15-12-16-24-43)64(89)78-32-20-28-51(78)66(91)77-31-19-27-50(77)58(83)72-53(39(5)6)61(86)71-47/h11-16,21-24,36,38-41,44-46,48-51,53-55,67H,9-10,17-20,25-35,37H2,1-8H3,(H,68,85)(H,69,82)(H,70,81)(H,71,86)(H,72,83)(H,73,84)(H,74,87)(H,79,80)/b47-36-/t40-,41-,44-,45-,46-,48-,49-,50-,51-,53-,54-,55-/m0/s1
Canonical SMILES:  CC[C@@H]([C@@H](C(=N[C@H](C(=NCC(=O)O)O)[C@H](CC)C)O)N=C([C@@H]1CCCN1C(=O)/C/1=C/N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=N[C@@H](Cc2ccccc2)C(=N[C@H](C(=O)N2[C@H](C(=O)N3[C@H](C(=N[C@H](C(=N1)O)C(C)C)O)CCC3)CCC2)Cc1ccccc1)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
NPO16915 Callyspongia aerizusa Species Callyspongiidae Eukaryota PMID[26213786]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens ED50 = 3.4 nM 10924160
NPT1864 Cell Line L5178Y Mus musculus ED50 = 0.39 nM 10924160
NPT171 Cell Line MRC5 Homo sapiens IC50 > 10000 nM DrugMatrix in vitro pharmacology data
NPT140 Organism Artemia Artemia Activity = 45 % 20050684
NPT681 Cell Line PC-12 Rattus norvegicus ED50 = 3.8 nM 18419154
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 9 mm 19450986
NPT20 Organism Candida albicans Candida albicans IZ = 20 mm 22931300
NPT19 Organism Escherichia coli Escherichia coli IZ = 9 mm 10.1007/s00044-013-0737-7
NPT1970 Cell Line THP-1 Homo sapiens IC50 > 10000 nM 23822611
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 15 mm 3346869
NPT140 Organism Artemia Artemia Activity = 70 % 18426901
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 = 100000 nM 16019946

  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 NPC469902 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
0.9726 High Similarity NPC469903
0.9658 High Similarity NPC473002
0.9605 High Similarity NPC469904
0.9597 High Similarity NPC473003
0.9241 High Similarity NPC473001
0.902 High Similarity NPC469898
0.8981 High Similarity NPC473000
0.8961 High Similarity NPC469901
0.8938 High Similarity NPC469900
0.8288 Intermediate Similarity NPC200589
0.8239 Intermediate Similarity NPC324850
0.8214 Intermediate Similarity NPC472999
0.8026 Intermediate Similarity NPC132636
0.7987 Intermediate Similarity NPC255447
0.7885 Intermediate Similarity NPC315266
0.7875 Intermediate Similarity NPC122590
0.7867 Intermediate Similarity NPC130309
0.7852 Intermediate Similarity NPC473322
0.7834 Intermediate Similarity NPC262077
0.7821 Intermediate Similarity NPC476978
0.7784 Intermediate Similarity NPC141957
0.7756 Intermediate Similarity NPC77905
0.774 Intermediate Similarity NPC71684
0.7736 Intermediate Similarity NPC240848
0.7712 Intermediate Similarity NPC141050
0.7688 Intermediate Similarity NPC2501
0.7671 Intermediate Similarity NPC200964
0.7661 Intermediate Similarity NPC477462
0.7658 Intermediate Similarity NPC313867
0.7658 Intermediate Similarity NPC209509
0.7658 Intermediate Similarity NPC316008
0.7651 Intermediate Similarity NPC241794
0.7643 Intermediate Similarity NPC161069
0.764 Intermediate Similarity NPC475168
0.764 Intermediate Similarity NPC7817
0.7616 Intermediate Similarity NPC111428
0.761 Intermediate Similarity NPC314358
0.7595 Intermediate Similarity NPC315283
0.7595 Intermediate Similarity NPC52748
0.7595 Intermediate Similarity NPC314388
0.7574 Intermediate Similarity NPC302597
0.7534 Intermediate Similarity NPC470546
0.7532 Intermediate Similarity NPC287401
0.7514 Intermediate Similarity NPC307396
0.75 Intermediate Similarity NPC470902
0.7466 Intermediate Similarity NPC470545
0.7453 Intermediate Similarity NPC138775
0.7439 Intermediate Similarity NPC261934
0.7439 Intermediate Similarity NPC5194
0.7439 Intermediate Similarity NPC202198
0.7438 Intermediate Similarity NPC5620
0.7417 Intermediate Similarity NPC101719
0.7407 Intermediate Similarity NPC471821
0.7407 Intermediate Similarity NPC471820
0.74 Intermediate Similarity NPC6975
0.7397 Intermediate Similarity NPC470544
0.7368 Intermediate Similarity NPC477937
0.7365 Intermediate Similarity NPC297145
0.7365 Intermediate Similarity NPC197743
0.7358 Intermediate Similarity NPC263493
0.7358 Intermediate Similarity NPC269398
0.7356 Intermediate Similarity NPC136797
0.7353 Intermediate Similarity NPC189116
0.7351 Intermediate Similarity NPC22746
0.7351 Intermediate Similarity NPC222466
0.7346 Intermediate Similarity NPC311658
0.7342 Intermediate Similarity NPC476133
0.7342 Intermediate Similarity NPC89489
0.7342 Intermediate Similarity NPC470884
0.7342 Intermediate Similarity NPC178662
0.7342 Intermediate Similarity NPC92784
0.7342 Intermediate Similarity NPC98424
0.7338 Intermediate Similarity NPC300315
0.7308 Intermediate Similarity NPC276430
0.7296 Intermediate Similarity NPC163392
0.7296 Intermediate Similarity NPC239762
0.7283 Intermediate Similarity NPC198254
0.7283 Intermediate Similarity NPC274198
0.7279 Intermediate Similarity NPC239357
0.7278 Intermediate Similarity NPC471265
0.7278 Intermediate Similarity NPC471527
0.7278 Intermediate Similarity NPC471264
0.7267 Intermediate Similarity NPC202521
0.7256 Intermediate Similarity NPC129666
0.7251 Intermediate Similarity NPC63931
0.7229 Intermediate Similarity NPC473341
0.7219 Intermediate Similarity NPC62104
0.7219 Intermediate Similarity NPC1390
0.72 Intermediate Similarity NPC476990
0.72 Intermediate Similarity NPC475532
0.7193 Intermediate Similarity NPC471053
0.7193 Intermediate Similarity NPC471051
0.7193 Intermediate Similarity NPC471052
0.7184 Intermediate Similarity NPC276506
0.7176 Intermediate Similarity NPC469243
0.7171 Intermediate Similarity NPC46427
0.717 Intermediate Similarity NPC127741
0.7162 Intermediate Similarity NPC315276
0.7162 Intermediate Similarity NPC14672
0.7162 Intermediate Similarity NPC285926
0.7159 Intermediate Similarity NPC165285
0.7134 Intermediate Similarity NPC329761
0.7134 Intermediate Similarity NPC225648
0.7134 Intermediate Similarity NPC16188
0.7126 Intermediate Similarity NPC56685
0.7123 Intermediate Similarity NPC474584
0.7119 Intermediate Similarity NPC196243
0.7118 Intermediate Similarity NPC24617
0.7117 Intermediate Similarity NPC322878
0.711 Intermediate Similarity NPC61004
0.7107 Intermediate Similarity NPC314835
0.7105 Intermediate Similarity NPC252878
0.7076 Intermediate Similarity NPC114806
0.7076 Intermediate Similarity NPC475544
0.7069 Intermediate Similarity NPC328649
0.7066 Intermediate Similarity NPC233702
0.7052 Intermediate Similarity NPC217804
0.7052 Intermediate Similarity NPC22883
0.7052 Intermediate Similarity NPC210377
0.7052 Intermediate Similarity NPC5719
0.7052 Intermediate Similarity NPC223207
0.7047 Intermediate Similarity NPC54420
0.7044 Intermediate Similarity NPC248283
0.7039 Intermediate Similarity NPC269750
0.7039 Intermediate Similarity NPC194671
0.703 Intermediate Similarity NPC145113
0.7029 Intermediate Similarity NPC129486
0.7027 Intermediate Similarity NPC33742
0.7024 Intermediate Similarity NPC262166
0.7011 Intermediate Similarity NPC304074
0.7011 Intermediate Similarity NPC471771
0.7011 Intermediate Similarity NPC15068
0.7011 Intermediate Similarity NPC290755
0.7006 Intermediate Similarity NPC137627
0.6994 Remote Similarity NPC139326
0.6994 Remote Similarity NPC197682
0.6988 Remote Similarity NPC105717
0.6987 Remote Similarity NPC319766
0.6986 Remote Similarity NPC319579
0.6984 Remote Similarity NPC171317
0.6975 Remote Similarity NPC476259
0.6974 Remote Similarity NPC162860
0.6971 Remote Similarity NPC63040
0.697 Remote Similarity NPC314114
0.6966 Remote Similarity NPC317725
0.6966 Remote Similarity NPC26108
0.6966 Remote Similarity NPC318930
0.6966 Remote Similarity NPC317362
0.6966 Remote Similarity NPC279871
0.6966 Remote Similarity NPC326407
0.6966 Remote Similarity NPC17698
0.6964 Remote Similarity NPC162104
0.6964 Remote Similarity NPC300443
0.6941 Remote Similarity NPC473580
0.6936 Remote Similarity NPC68650
0.6933 Remote Similarity NPC168113
0.6928 Remote Similarity NPC135121
0.691 Remote Similarity NPC306804
0.6909 Remote Similarity NPC477217
0.6909 Remote Similarity NPC201244
0.6906 Remote Similarity NPC153554
0.6893 Remote Similarity NPC475123
0.6893 Remote Similarity NPC475204
0.689 Remote Similarity NPC468984
0.689 Remote Similarity NPC176226
0.6879 Remote Similarity NPC276085
0.6852 Remote Similarity NPC68865
0.6846 Remote Similarity NPC276949
0.6846 Remote Similarity NPC35850
0.6839 Remote Similarity NPC175726
0.6839 Remote Similarity NPC474082
0.6829 Remote Similarity NPC476989
0.6824 Remote Similarity NPC286551
0.6802 Remote Similarity NPC107077
0.6802 Remote Similarity NPC223791
0.6798 Remote Similarity NPC46009
0.6778 Remote Similarity NPC471165
0.6768 Remote Similarity NPC268841
0.6768 Remote Similarity NPC46098
0.6768 Remote Similarity NPC307357
0.6761 Remote Similarity NPC472923
0.676 Remote Similarity NPC89831
0.6748 Remote Similarity NPC43755
0.6746 Remote Similarity NPC254798
0.6742 Remote Similarity NPC280022
0.6737 Remote Similarity NPC477638
0.6737 Remote Similarity NPC477632
0.6733 Remote Similarity NPC238945
0.6732 Remote Similarity NPC220698
0.6731 Remote Similarity NPC35996
0.6727 Remote Similarity NPC469427
0.6727 Remote Similarity NPC469426
0.6724 Remote Similarity NPC244336
0.6722 Remote Similarity NPC248670
0.6717 Remote Similarity NPC478158
0.6712 Remote Similarity NPC327481
0.6706 Remote Similarity NPC473491
0.6703 Remote Similarity NPC294951
0.6702 Remote Similarity NPC240130
0.6702 Remote Similarity NPC61332

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469902 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
0.8027 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD5263 Approved
0.7755 Intermediate Similarity NPD3072 Approved
0.7755 Intermediate Similarity NPD3073 Approved
0.7755 Intermediate Similarity NPD3071 Approved
0.7742 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD4762 Approved
0.7687 Intermediate Similarity NPD4761 Approved
0.7682 Intermediate Similarity NPD4676 Approved
0.7643 Intermediate Similarity NPD8076 Discontinued
0.7613 Intermediate Similarity NPD6073 Approved
0.7578 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4177 Approved
0.75 Intermediate Similarity NPD4175 Approved
0.75 Intermediate Similarity NPD5725 Approved
0.7452 Intermediate Similarity NPD6901 Phase 3
0.745 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD8643 Discontinued
0.7414 Intermediate Similarity NPD8022 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD4677 Discontinued
0.7342 Intermediate Similarity NPD4126 Approved
0.7312 Intermediate Similarity NPD7720 Phase 2
0.7308 Intermediate Similarity NPD8240 Discontinued
0.7308 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD5581 Approved
0.7226 Intermediate Similarity NPD6359 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD4125 Approved
0.7197 Intermediate Similarity NPD5747 Discontinued
0.7188 Intermediate Similarity NPD5301 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD2584 Suspended
0.717 Intermediate Similarity NPD8172 Phase 2
0.717 Intermediate Similarity NPD8173 Phase 2
0.7161 Intermediate Similarity NPD3040 Approved
0.716 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6623 Phase 3
0.7152 Intermediate Similarity NPD8416 Discontinued
0.7118 Intermediate Similarity NPD8630 Approved
0.7117 Intermediate Similarity NPD5264 Approved
0.7117 Intermediate Similarity NPD5265 Approved
0.711 Intermediate Similarity NPD8303 Discontinued
0.7107 Intermediate Similarity NPD3908 Approved
0.7101 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4151 Approved
0.7059 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD8103 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6088 Approved
0.7048 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD5323 Approved
0.703 Intermediate Similarity NPD7602 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1330 Phase 2
0.7025 Intermediate Similarity NPD3632 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1329 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6852 Discontinued
0.7019 Intermediate Similarity NPD6295 Approved
0.7019 Intermediate Similarity NPD6294 Approved
0.7012 Intermediate Similarity NPD5024 Approved
0.7012 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.697 Remote Similarity NPD1967 Approved
0.697 Remote Similarity NPD1968 Approved
0.6943 Remote Similarity NPD5759 Approved
0.694 Remote Similarity NPD6557 Phase 2
0.6937 Remote Similarity NPD5296 Approved
0.6937 Remote Similarity NPD4153 Approved
0.6918 Remote Similarity NPD5299 Approved
0.689 Remote Similarity NPD2088 Approved
0.689 Remote Similarity NPD2087 Approved
0.6879 Remote Similarity NPD3608 Clinical (unspecified phase)
0.6859 Remote Similarity NPD5367 Discontinued
0.6851 Remote Similarity NPD6368 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7828 Discontinued
0.6826 Remote Similarity NPD8323 Discontinued
0.681 Remote Similarity NPD4214 Discontinued
0.6805 Remote Similarity NPD4432 Discontinued
0.6805 Remote Similarity NPD5942 Approved
0.6805 Remote Similarity NPD5941 Approved
0.68 Remote Similarity NPD747 Discontinued
0.6784 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7599 Phase 2
0.6765 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7613 Discontinued
0.6763 Remote Similarity NPD7105 Phase 1
0.675 Remote Similarity NPD4794 Discontinued
0.6743 Remote Similarity NPD7600 Phase 2
0.6726 Remote Similarity NPD6552 Clinical (unspecified phase)
0.6708 Remote Similarity NPD2078 Clinical (unspecified phase)
0.6707 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4564 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4565 Clinical (unspecified phase)
0.6687 Remote Similarity NPD4757 Clinical (unspecified phase)
0.6687 Remote Similarity NPD2022 Approved
0.6686 Remote Similarity NPD3509 Approved
0.6686 Remote Similarity NPD8315 Phase 1
0.6686 Remote Similarity NPD3510 Approved
0.6667 Remote Similarity NPD4158 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5748 Phase 2
0.6647 Remote Similarity NPD2013 Approved
0.6647 Remote Similarity NPD2014 Approved
0.6647 Remote Similarity NPD2016 Approved
0.6646 Remote Similarity NPD5004 Approved
0.6627 Remote Similarity NPD7512 Approved
0.6627 Remote Similarity NPD7511 Approved
0.6627 Remote Similarity NPD2887 Clinical (unspecified phase)
0.6614 Remote Similarity NPD7617 Discontinued
0.6596 Remote Similarity NPD7683 Discontinued
0.6587 Remote Similarity NPD3625 Discontinued
0.657 Remote Similarity NPD5229 Approved
0.657 Remote Similarity NPD5230 Approved
0.6564 Remote Similarity NPD3561 Clinical (unspecified phase)
0.6564 Remote Similarity NPD941 Approved
0.6556 Remote Similarity NPD6303 Approved
0.6556 Remote Similarity NPD6304 Approved
0.655 Remote Similarity NPD5613 Approved
0.655 Remote Similarity NPD3987 Approved
0.655 Remote Similarity NPD5614 Approved
0.655 Remote Similarity NPD3988 Approved
0.6548 Remote Similarity NPD2436 Approved
0.6548 Remote Similarity NPD6681 Discovery
0.6548 Remote Similarity NPD2437 Approved
0.6543 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6543 Remote Similarity NPD2047 Approved
0.6543 Remote Similarity NPD2044 Approved
0.6543 Remote Similarity NPD2043 Approved
0.6543 Remote Similarity NPD2046 Approved
0.6543 Remote Similarity NPD21 Approved
0.6543 Remote Similarity NPD2045 Approved
0.6543 Remote Similarity NPD2051 Approved
0.6543 Remote Similarity NPD2048 Approved
0.6543 Remote Similarity NPD2049 Clinical (unspecified phase)
0.6543 Remote Similarity NPD2050 Clinical (unspecified phase)
0.6541 Remote Similarity NPD3125 Approved
0.6538 Remote Similarity NPD7964 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7965 Phase 2
0.6536 Remote Similarity NPD1348 Approved
0.6534 Remote Similarity NPD4517 Clinical (unspecified phase)
0.6533 Remote Similarity NPD3644 Approved
0.6533 Remote Similarity NPD8493 Clinical (unspecified phase)
0.6533 Remote Similarity NPD3642 Approved
0.6533 Remote Similarity NPD3643 Approved
0.6533 Remote Similarity NPD8322 Phase 2
0.6527 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6513 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6512 Remote Similarity NPD979 Approved
0.6509 Remote Similarity NPD3508 Approved
0.6508 Remote Similarity NPD6632 Clinical (unspecified phase)
0.6503 Remote Similarity NPD6613 Clinical (unspecified phase)
0.6497 Remote Similarity NPD4567 Approved
0.6497 Remote Similarity NPD4566 Approved
0.6497 Remote Similarity NPD4557 Approved
0.6494 Remote Similarity NPD4647 Approved
0.6494 Remote Similarity NPD4648 Approved
0.6494 Remote Similarity NPD4646 Approved
0.6491 Remote Similarity NPD3519 Discontinued
0.648 Remote Similarity NPD3790 Phase 2
0.6477 Remote Similarity NPD951 Approved
0.6474 Remote Similarity NPD5851 Approved
0.6474 Remote Similarity NPD5852 Approved
0.6471 Remote Similarity NPD5298 Clinical (unspecified phase)
0.646 Remote Similarity NPD3588 Discontinued
0.6458 Remote Similarity NPD6665 Discontinued
0.6452 Remote Similarity NPD3989 Phase 3
0.6448 Remote Similarity NPD8124 Phase 3
0.6448 Remote Similarity NPD8126 Clinical (unspecified phase)
0.6446 Remote Similarity NPD7510 Approved
0.6441 Remote Similarity NPD3589 Clinical (unspecified phase)
0.6441 Remote Similarity NPD7495 Discontinued
0.6441 Remote Similarity NPD8019 Approved
0.6432 Remote Similarity NPD8362 Clinical (unspecified phase)
0.6425 Remote Similarity NPD8351 Phase 2
0.642 Remote Similarity NPD1781 Discontinued
0.642 Remote Similarity NPD2891 Approved
0.6417 Remote Similarity NPD3990 Phase 3
0.641 Remote Similarity NPD2217 Approved
0.641 Remote Similarity NPD2218 Phase 2
0.6406 Remote Similarity NPD5076 Approved
0.6406 Remote Similarity NPD5077 Approved
0.6405 Remote Similarity NPD3598 Phase 3
0.6404 Remote Similarity NPD7470 Discontinued
0.6404 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6398 Remote Similarity NPD6302 Clinical (unspecified phase)
0.6392 Remote Similarity NPD2956 Clinical (unspecified phase)
0.639 Remote Similarity NPD7971 Clinical (unspecified phase)
0.639 Remote Similarity NPD7970 Approved
0.6387 Remote Similarity NPD5162 Approved
0.6379 Remote Similarity NPD5638 Approved
0.6378 Remote Similarity NPD4091 Approved
0.6374 Remote Similarity NPD7484 Phase 3
0.6374 Remote Similarity NPD7485 Phase 3
0.6369 Remote Similarity NPD2097 Approved
0.6364 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6358 Remote Similarity NPD1581 Approved
0.6358 Remote Similarity NPD1582 Approved
0.6358 Remote Similarity NPD3604 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   52946044
ChEMBL   CHEMBL1253752
ZINC  

Physicochemical Properties

Molecular Weight:  1262.71
ALogP:  -6.9814
MLogP:  5.97
XLogP:  10.048
# Rotatable Bonds:  36
Polar Surface Area:  358.7
# H-Bond Aceptor:  25
# H-Bond Donor:  9
# Rings:  7
# Heavy Atoms:  91

Download Data

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Biological Activities  
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