Natural Product: NPC328649

Natural Product ID:  NPC328649
Common Name:   Tyrocidine A
IUPAC Name:   3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24,27-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide
Synonyms:  
Molecular Formula:   C66H87N13O13
Standard InCHIKey:  GSXRBRIWJGAPDU-BBVRJQLQSA-N
Standard InCHI:  InChI=1S/C66H87N13O13/c1-38(2)32-47-59(85)77-52(36-42-20-12-7-13-21-42)66(92)79-31-15-23-53(79)64(90)76-49(34-41-18-10-6-11-19-41)61(87)74-48(33-40-16-8-5-9-17-40)60(86)75-51(37-55(69)82)62(88)70-46(28-29-54(68)81)58(84)73-50(35-43-24-26-44(80)27-25-43)63(89)78-56(39(3)4)65(91)71-45(22-14-30-67)57(83)72-47/h5-13,16-21,24-27,38-39,45-53,56,80H,14-15,22-23,28-37,67H2,1-4H3,(H2,68,81)(H2,69,82)(H,70,88)(H,71,91)(H,72,83)(H,73,84)(H,74,87)(H,75,86)(H,76,90)(H,77,85)(H,78,89)/t45-,46-,47-,48+,49-,50-,51-,52+,53-,56-/m0/s1
Canonical SMILES:  NCCC[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](Cc2ccc(cc2)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](N=C([C@@H](N=C([C@H]2N(C(=O)[C@H](N=C([C@@H](N=C1O)CC(C)C)O)Cc1ccccc1)CCC2)O)Cc1ccccc1)O)Cc1ccccc1)C(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0000452 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO23673 Brevibacillus brevis Species Paenibacillaceae Bacteria PMID[4320358]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 8.3 ug/ml 14584933
NPT79 Organism Bacillus subtilis Bacillus subtilis Ratio = 1 14584933
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 1 ug/ml 17547386
NPT19 Organism Escherichia coli Escherichia coli MIC = 8 ug/ml 17547386
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 1 ug/ml 17547386
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 1 ug/ml 17547386
NPT2 Others Unspecified Ratio = 2 ug/ml 17547386
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32 ug/ml 17728134
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 16 ug/ml 17728134
NPT19 Organism Escherichia coli Escherichia coli MIC > 128 ug/ml 17728134
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 16 ug/ml 17728134
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 16 ug/ml 17728134
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 16 ug/ml 17728134
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 31 ug/ml 19281223
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 20 ug/ml 19281223
NPT2 Others Unspecified Activity < 50 % 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes Activity = 1.62 % 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes Activity = 59 % 19586775
NPT729 Organism Micrococcus luteus Micrococcus luteus IC50 = 22000 nM 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes IC50 = 13000 nM 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes IC50 = 9900 nM 19586775

  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 NPC328649 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
0.8981 High Similarity NPC241794
0.8954 High Similarity NPC233702
0.894 High Similarity NPC16188
0.8931 High Similarity NPC61004
0.8896 High Similarity NPC202198
0.879 High Similarity NPC323336
0.879 High Similarity NPC326349
0.8774 High Similarity NPC56685
0.8734 High Similarity NPC244336
0.8642 High Similarity NPC141957
0.8609 High Similarity NPC476989
0.8544 High Similarity NPC244509
0.8526 High Similarity NPC473491
0.8519 High Similarity NPC223207
0.8494 Intermediate Similarity NPC471165
0.8494 Intermediate Similarity NPC136797
0.8466 Intermediate Similarity NPC290755
0.8466 Intermediate Similarity NPC471771
0.8466 Intermediate Similarity NPC304074
0.8443 Intermediate Similarity NPC196243
0.8434 Intermediate Similarity NPC475532
0.8405 Intermediate Similarity NPC63931
0.8383 Intermediate Similarity NPC165285
0.8373 Intermediate Similarity NPC89831
0.8343 Intermediate Similarity NPC119652
0.8343 Intermediate Similarity NPC97526
0.8333 Intermediate Similarity NPC469243
0.8323 Intermediate Similarity NPC306804
0.8323 Intermediate Similarity NPC137627
0.8313 Intermediate Similarity NPC198254
0.8313 Intermediate Similarity NPC274198
0.8302 Intermediate Similarity NPC5194
0.8302 Intermediate Similarity NPC261934
0.8274 Intermediate Similarity NPC159767
0.8274 Intermediate Similarity NPC155506
0.8263 Intermediate Similarity NPC230611
0.8253 Intermediate Similarity NPC129486
0.8253 Intermediate Similarity NPC280022
0.8235 Intermediate Similarity NPC313694
0.8235 Intermediate Similarity NPC45037
0.8235 Intermediate Similarity NPC242159
0.8221 Intermediate Similarity NPC475544
0.8204 Intermediate Similarity NPC475204
0.8204 Intermediate Similarity NPC475123
0.8204 Intermediate Similarity NPC276506
0.8199 Intermediate Similarity NPC476268
0.8187 Intermediate Similarity NPC262166
0.8166 Intermediate Similarity NPC17698
0.8166 Intermediate Similarity NPC26108
0.8166 Intermediate Similarity NPC473402
0.8155 Intermediate Similarity NPC328494
0.814 Intermediate Similarity NPC477637
0.8129 Intermediate Similarity NPC194671
0.8129 Intermediate Similarity NPC269750
0.8118 Intermediate Similarity NPC50016
0.8114 Intermediate Similarity NPC94862
0.8095 Intermediate Similarity NPC46009
0.8086 Intermediate Similarity NPC473580
0.8084 Intermediate Similarity NPC302597
0.8079 Intermediate Similarity NPC255447
0.8023 Intermediate Similarity NPC61332
0.8023 Intermediate Similarity NPC240130
0.8 Intermediate Similarity NPC273755
0.7988 Intermediate Similarity NPC40234
0.7976 Intermediate Similarity NPC107938
0.7976 Intermediate Similarity NPC294516
0.7953 Intermediate Similarity NPC158277
0.7953 Intermediate Similarity NPC476227
0.7953 Intermediate Similarity NPC279871
0.7944 Intermediate Similarity NPC477638
0.7944 Intermediate Similarity NPC477632
0.7943 Intermediate Similarity NPC294951
0.7904 Intermediate Similarity NPC191863
0.7904 Intermediate Similarity NPC289776
0.7904 Intermediate Similarity NPC133470
0.7901 Intermediate Similarity NPC329295
0.7895 Intermediate Similarity NPC248670
0.7874 Intermediate Similarity NPC475564
0.7874 Intermediate Similarity NPC475409
0.7874 Intermediate Similarity NPC170302
0.7874 Intermediate Similarity NPC153554
0.7831 Intermediate Similarity NPC319320
0.7831 Intermediate Similarity NPC287757
0.7829 Intermediate Similarity NPC111428
0.7802 Intermediate Similarity NPC477639
0.7797 Intermediate Similarity NPC138083
0.7792 Intermediate Similarity NPC257390
0.7792 Intermediate Similarity NPC326966
0.7759 Intermediate Similarity NPC473546
0.7746 Intermediate Similarity NPC473354
0.7742 Intermediate Similarity NPC244866
0.7727 Intermediate Similarity NPC473404
0.7722 Intermediate Similarity NPC477636
0.7722 Intermediate Similarity NPC473305
0.7722 Intermediate Similarity NPC163961
0.7712 Intermediate Similarity NPC473322
0.7706 Intermediate Similarity NPC254700
0.7692 Intermediate Similarity NPC302715
0.7684 Intermediate Similarity NPC471526
0.767 Intermediate Similarity NPC32064
0.7662 Intermediate Similarity NPC325651
0.7661 Intermediate Similarity NPC209463
0.7644 Intermediate Similarity NPC164608
0.7637 Intermediate Similarity NPC477631
0.7556 Intermediate Similarity NPC276120
0.7528 Intermediate Similarity NPC476321
0.7527 Intermediate Similarity NPC477550
0.7527 Intermediate Similarity NPC477552
0.7515 Intermediate Similarity NPC324081
0.75 Intermediate Similarity NPC299806
0.7485 Intermediate Similarity NPC81026
0.7473 Intermediate Similarity NPC234069
0.7459 Intermediate Similarity NPC471563
0.7447 Intermediate Similarity NPC477551
0.7444 Intermediate Similarity NPC471050
0.7444 Intermediate Similarity NPC471048
0.7444 Intermediate Similarity NPC471049
0.7438 Intermediate Similarity NPC326363
0.7432 Intermediate Similarity NPC64140
0.7432 Intermediate Similarity NPC29531
0.7432 Intermediate Similarity NPC174122
0.7425 Intermediate Similarity NPC122590
0.7423 Intermediate Similarity NPC266741
0.7418 Intermediate Similarity NPC96275
0.7417 Intermediate Similarity NPC200964
0.7405 Intermediate Similarity NPC328763
0.7391 Intermediate Similarity NPC473407
0.7391 Intermediate Similarity NPC473378
0.738 Intermediate Similarity NPC471592
0.7377 Intermediate Similarity NPC102959
0.7368 Intermediate Similarity NPC473003
0.736 Intermediate Similarity NPC473001
0.7358 Intermediate Similarity NPC267237
0.7354 Intermediate Similarity NPC242728
0.7351 Intermediate Similarity NPC283760
0.7341 Intermediate Similarity NPC472923
0.734 Intermediate Similarity NPC50548
0.7337 Intermediate Similarity NPC60516
0.7337 Intermediate Similarity NPC51047
0.7333 Intermediate Similarity NPC311658
0.7325 Intermediate Similarity NPC200589
0.7318 Intermediate Similarity NPC475421
0.7301 Intermediate Similarity NPC91953
0.7295 Intermediate Similarity NPC325976
0.7289 Intermediate Similarity NPC9373
0.7287 Intermediate Similarity NPC144314
0.7285 Intermediate Similarity NPC470546
0.7278 Intermediate Similarity NPC39822
0.7278 Intermediate Similarity NPC120251
0.7278 Intermediate Similarity NPC39431
0.7268 Intermediate Similarity NPC478005
0.7267 Intermediate Similarity NPC109580
0.7255 Intermediate Similarity NPC71684
0.725 Intermediate Similarity NPC141050
0.7249 Intermediate Similarity NPC323662
0.7247 Intermediate Similarity NPC477462
0.7246 Intermediate Similarity NPC254798
0.7246 Intermediate Similarity NPC2501
0.7243 Intermediate Similarity NPC283207
0.7239 Intermediate Similarity NPC197921
0.7235 Intermediate Similarity NPC469903
0.7234 Intermediate Similarity NPC149962
0.7222 Intermediate Similarity NPC132636
0.7219 Intermediate Similarity NPC473341
0.7219 Intermediate Similarity NPC65714
0.7219 Intermediate Similarity NPC470545
0.7219 Intermediate Similarity NPC314083
0.7216 Intermediate Similarity NPC66490
0.7212 Intermediate Similarity NPC209509
0.7211 Intermediate Similarity NPC123859
0.7208 Intermediate Similarity NPC27581
0.7205 Intermediate Similarity NPC473360
0.7202 Intermediate Similarity NPC475168
0.7202 Intermediate Similarity NPC7817
0.7198 Intermediate Similarity NPC167763
0.7198 Intermediate Similarity NPC470112
0.7198 Intermediate Similarity NPC470903
0.7195 Intermediate Similarity NPC469360
0.7189 Intermediate Similarity NPC246591
0.7189 Intermediate Similarity NPC124626
0.7188 Intermediate Similarity NPC287401
0.7178 Intermediate Similarity NPC214988
0.7178 Intermediate Similarity NPC48202
0.7176 Intermediate Similarity NPC470902
0.7175 Intermediate Similarity NPC473693
0.7175 Intermediate Similarity NPC471568
0.7161 Intermediate Similarity NPC6975
0.716 Intermediate Similarity NPC64205
0.7159 Intermediate Similarity NPC473502
0.7152 Intermediate Similarity NPC52748
0.7152 Intermediate Similarity NPC470544
0.715 Intermediate Similarity NPC473460
0.7143 Intermediate Similarity NPC473371
0.712 Intermediate Similarity NPC315542
0.7119 Intermediate Similarity NPC469904
0.7119 Intermediate Similarity NPC186617
0.7112 Intermediate Similarity NPC470728
0.7112 Intermediate Similarity NPC248822
0.7107 Intermediate Similarity NPC300315
0.7107 Intermediate Similarity NPC478147

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC328649 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
0.8438 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.8247 Intermediate Similarity NPD7450 Phase 2
0.8242 Intermediate Similarity NPD8303 Discontinued
0.7939 Intermediate Similarity NPD8019 Approved
0.7791 Intermediate Similarity NPD7303 Discontinued
0.7744 Intermediate Similarity NPD7523 Phase 3
0.763 Intermediate Similarity NPD5137 Approved
0.7624 Intermediate Similarity NPD7617 Discontinued
0.7572 Intermediate Similarity NPD4652 Approved
0.7532 Intermediate Similarity NPD7451 Discontinued
0.7532 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD7495 Discontinued
0.7425 Intermediate Similarity NPD7131 Phase 3
0.7423 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7978 Discontinued
0.7365 Intermediate Similarity NPD7613 Discontinued
0.7349 Intermediate Similarity NPD6682 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD2098 Approved
0.7314 Intermediate Similarity NPD7485 Phase 3
0.7314 Intermediate Similarity NPD7484 Phase 3
0.7284 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD3136 Phase 2
0.7273 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7608 Discontinued
0.7267 Intermediate Similarity NPD8173 Phase 2
0.7267 Intermediate Similarity NPD8172 Phase 2
0.7247 Intermediate Similarity NPD5200 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD2097 Approved
0.7222 Intermediate Similarity NPD7695 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD8051 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD8323 Discontinued
0.7125 Intermediate Similarity NPD1329 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD1330 Phase 2
0.7099 Intermediate Similarity NPD8643 Discontinued
0.7091 Intermediate Similarity NPD8076 Discontinued
0.7083 Intermediate Similarity NPD7554 Discontinued
0.7081 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4497 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7810 Phase 3
0.7031 Intermediate Similarity NPD7811 Phase 3
0.7012 Intermediate Similarity NPD6901 Phase 3
0.6988 Remote Similarity NPD7720 Phase 2
0.6982 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6977 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6946 Remote Similarity NPD5341 Clinical (unspecified phase)
0.6943 Remote Similarity NPD2561 Approved
0.6943 Remote Similarity NPD2562 Approved
0.6933 Remote Similarity NPD6346 Approved
0.6927 Remote Similarity NPD2017 Approved
0.6927 Remote Similarity NPD2890 Approved
0.6927 Remote Similarity NPD2889 Approved
0.6927 Remote Similarity NPD2888 Approved
0.6923 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7011 Discontinued
0.691 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6902 Remote Similarity NPD5445 Approved
0.6902 Remote Similarity NPD6297 Approved
0.6894 Remote Similarity NPD5263 Approved
0.689 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6882 Remote Similarity NPD8290 Clinical (unspecified phase)
0.6854 Remote Similarity NPD8031 Discontinued
0.6848 Remote Similarity NPD2568 Approved
0.6848 Remote Similarity NPD4782 Clinical (unspecified phase)
0.6845 Remote Similarity NPD5946 Clinical (unspecified phase)
0.6845 Remote Similarity NPD6851 Approved
0.6845 Remote Similarity NPD6853 Approved
0.6835 Remote Similarity NPD3073 Approved
0.6835 Remote Similarity NPD3072 Approved
0.6835 Remote Similarity NPD3071 Approved
0.6829 Remote Similarity NPD8416 Discontinued
0.6829 Remote Similarity NPD8318 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6818 Remote Similarity NPD9568 Approved
0.6807 Remote Similarity NPD3553 Approved
0.6807 Remote Similarity NPD3554 Approved
0.6807 Remote Similarity NPD3555 Approved
0.6807 Remote Similarity NPD3552 Approved
0.6792 Remote Similarity NPD4659 Approved
0.679 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6789 Remote Similarity NPD7861 Discontinued
0.6782 Remote Similarity NPD8315 Phase 1
0.6774 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6772 Remote Similarity NPD4762 Approved
0.6772 Remote Similarity NPD4761 Approved
0.6768 Remote Similarity NPD7086 Phase 2
0.6765 Remote Similarity NPD6676 Phase 2
0.6763 Remote Similarity NPD6078 Clinical (unspecified phase)
0.675 Remote Similarity NPD3125 Approved
0.6748 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6073 Approved
0.6747 Remote Similarity NPD5314 Approved
0.6746 Remote Similarity NPD6681 Discovery
0.6746 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7892 Clinical (unspecified phase)
0.6742 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5967 Approved
0.6708 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6708 Remote Similarity NPD3055 Approved
0.6708 Remote Similarity NPD4103 Phase 2
0.6708 Remote Similarity NPD3053 Approved
0.6705 Remote Similarity NPD5556 Clinical (unspecified phase)
0.6705 Remote Similarity NPD5348 Clinical (unspecified phase)
0.6703 Remote Similarity NPD8362 Clinical (unspecified phase)
0.6703 Remote Similarity NPD6020 Phase 2
0.6702 Remote Similarity NPD7281 Phase 3
0.6702 Remote Similarity NPD7280 Phase 3
0.6702 Remote Similarity NPD6836 Approved
0.6688 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6687 Remote Similarity NPD4677 Discontinued
0.6687 Remote Similarity NPD4125 Approved
0.6687 Remote Similarity NPD4676 Approved
0.6684 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3400 Discontinued
0.6667 Remote Similarity NPD5190 Phase 2
0.6667 Remote Similarity NPD7193 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7282 Approved
0.665 Remote Similarity NPD8161 Suspended
0.6649 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6649 Remote Similarity NPD6835 Approved
0.6648 Remote Similarity NPD6523 Clinical (unspecified phase)
0.6647 Remote Similarity NPD6631 Clinical (unspecified phase)
0.6647 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6646 Remote Similarity NPD5311 Approved
0.6646 Remote Similarity NPD5310 Approved
0.6628 Remote Similarity NPD8131 Suspended
0.6627 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6627 Remote Similarity NPD3061 Approved
0.6627 Remote Similarity NPD3059 Approved
0.6627 Remote Similarity NPD5323 Approved
0.6627 Remote Similarity NPD3062 Approved
0.6626 Remote Similarity NPD4177 Approved
0.6626 Remote Similarity NPD4175 Approved
0.6625 Remote Similarity NPD2584 Suspended
0.6624 Remote Similarity NPD5304 Approved
0.6624 Remote Similarity NPD5303 Approved
0.6613 Remote Similarity NPD42 Phase 2
0.6613 Remote Similarity NPD6042 Phase 2
0.6613 Remote Similarity NPD4603 Phase 2
0.6609 Remote Similarity NPD2874 Phase 2
0.6606 Remote Similarity NPD8011 Discontinued
0.6606 Remote Similarity NPD3632 Clinical (unspecified phase)
0.6605 Remote Similarity NPD2585 Clinical (unspecified phase)
0.6602 Remote Similarity NPD8149 Discontinued
0.6596 Remote Similarity NPD5029 Approved
0.6596 Remote Similarity NPD5031 Approved
0.6596 Remote Similarity NPD5027 Approved
0.6592 Remote Similarity NPD5773 Approved
0.6592 Remote Similarity NPD5772 Approved
0.658 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6578 Remote Similarity NPD5485 Approved
0.6578 Remote Similarity NPD5484 Approved
0.657 Remote Similarity NPD5481 Discontinued
0.6561 Remote Similarity NPD7883 Discontinued
0.6561 Remote Similarity NPD317 Approved
0.6561 Remote Similarity NPD856 Approved
0.6561 Remote Similarity NPD16 Approved
0.6561 Remote Similarity NPD318 Approved
0.6561 Remote Similarity NPD5032 Approved
0.655 Remote Similarity NPD4257 Approved
0.655 Remote Similarity NPD4256 Phase 2
0.6548 Remote Similarity NPD5725 Approved
0.6546 Remote Similarity NPD5968 Phase 3
0.6543 Remote Similarity NPD6792 Phase 3
0.6541 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6538 Remote Similarity NPD255 Approved
0.6538 Remote Similarity NPD256 Approved
0.6535 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6531 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6526 Remote Similarity NPD8292 Phase 2
0.6524 Remote Similarity NPD9569 Approved
0.6524 Remote Similarity NPD3040 Approved
0.6519 Remote Similarity NPD8351 Phase 2
0.6517 Remote Similarity NPD8417 Discontinued
0.6517 Remote Similarity NPD7267 Clinical (unspecified phase)
0.6516 Remote Similarity NPD2228 Approved
0.6516 Remote Similarity NPD2234 Approved
0.6516 Remote Similarity NPD2229 Approved
0.6514 Remote Similarity NPD7020 Approved
0.6514 Remote Similarity NPD7019 Approved
0.6512 Remote Similarity NPD2460 Phase 3
0.6512 Remote Similarity NPD2458 Approved
0.6512 Remote Similarity NPD2459 Approved
0.6512 Remote Similarity NPD2976 Clinical (unspecified phase)
0.651 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6852 Discontinued
0.6506 Remote Similarity NPD601 Approved
0.6506 Remote Similarity NPD598 Approved
0.6506 Remote Similarity NPD597 Approved
0.6506 Remote Similarity NPD5299 Approved
0.6506 Remote Similarity NPD5581 Approved
0.6505 Remote Similarity NPD5033 Approved
0.6505 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6503 Remote Similarity NPD5823 Approved

Structure

External Identifiers

PubChem CID   16129635
ChEMBL   CHEMBL408504
ZINC  

Physicochemical Properties

Molecular Weight:  1269.65
ALogP:  -4.0098
MLogP:  5.86
XLogP:  10.878
# Rotatable Bonds:  36
Polar Surface Area:  448.03
# H-Bond Aceptor:  25
# H-Bond Donor:  15
# Rings:  6
# Heavy Atoms:  92

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