Natural Product: NPC186617

Natural Product ID:  NPC186617
Common Name:   Epilyngbyastatin 1
IUPAC Name:   (2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-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:   epilyngbyastatin 1
Molecular Formula:   C51H82N8O12
Standard InCHIKey:  MKKWMLGEOYGWEO-XTVFHPCRSA-N
Standard InCHI:  InChI=1S/C51H82N8O12/c1-18-30(7)42-47(66)53-26-39(60)57(14)37(24-28(3)4)45(64)52-27-40(61)59(16)41(29(5)6)48(67)58(15)38(25-34-20-22-35(70-17)23-21-34)46(65)54-32(9)43(62)51(11,12)50(69)56(13)33(10)44(63)55-36(19-2)31(8)49(68)71-42/h20-23,28-33,36-38,41-42H,18-19,24-27H2,1-17H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t30-,31-,32-,33-,36+,37-,38-,41-,42-/m0/s1
Canonical SMILES:  COc1ccc(cc1)C[C@H]1C(=N[C@@H](C)C(=O)C(C)(C)C(=O)N(C)[C@@H](C)C(=N[C@H](CC)[C@H](C)C(=O)O[C@H](C(=NCC(=O)N([C@H](C(=NCC(=O)N([C@H](C(=O)N1C)C(C)C)C)O)CC(C)C)C)O)[C@H](CC)C)O)O
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[9784156]
NPO28999 Schizothrix calcicola Species Schizotrichaceae Bacteria PMID[9784156]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens MIC = 0.1 ug/ml 20028081
NPT114 Cell Line LoVo Homo sapiens MIC = 0.5 ug/ml 23234407
NPT32 Organism Mus musculus Mus musculus Activity = -4 % 15497933
NPT2 Others Unspecified Activity = 580 Zone units 12662097
NPT2 Others Unspecified Activity = 570 Zone units 12662097
NPT137 Cell Line L1210 Mus musculus Activity = 450 Zone units 12662097
NPT730 Cell Line MC-38 Mus musculus Activity = 670 Zone units 12662097
NPT2 Others Unspecified Activity = 650 Zone units 12662097
NPT32 Organism Mus musculus Mus musculus Activity = -3 % 12444692
NPT32 Organism Mus musculus Mus musculus Activity = -8 % 24927000

  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 NPC186617 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
0.9677 High Similarity NPC473693
0.9677 High Similarity NPC471568
0.8827 High Similarity NPC196091
0.8696 High Similarity NPC472923
0.8589 High Similarity NPC473502
0.8553 High Similarity NPC168113
0.8497 Intermediate Similarity NPC197682
0.8471 Intermediate Similarity NPC324081
0.8402 Intermediate Similarity NPC475421
0.8258 Intermediate Similarity NPC176226
0.8256 Intermediate Similarity NPC470903
0.8256 Intermediate Similarity NPC470112
0.8256 Intermediate Similarity NPC167763
0.8166 Intermediate Similarity NPC248670
0.8161 Intermediate Similarity NPC299806
0.8136 Intermediate Similarity NPC473378
0.8136 Intermediate Similarity NPC473407
0.8118 Intermediate Similarity NPC26108
0.811 Intermediate Similarity NPC287757
0.811 Intermediate Similarity NPC319320
0.8101 Intermediate Similarity NPC81026
0.8084 Intermediate Similarity NPC254700
0.807 Intermediate Similarity NPC50016
0.8063 Intermediate Similarity NPC132771
0.8057 Intermediate Similarity NPC315542
0.8038 Intermediate Similarity NPC266741
0.8013 Intermediate Similarity NPC476259
0.8012 Intermediate Similarity NPC473354
0.8012 Intermediate Similarity NPC471165
0.8 Intermediate Similarity NPC6570
0.7975 Intermediate Similarity NPC39431
0.7966 Intermediate Similarity NPC4910
0.7953 Intermediate Similarity NPC273755
0.7941 Intermediate Similarity NPC40234
0.7941 Intermediate Similarity NPC475204
0.7941 Intermediate Similarity NPC475123
0.7941 Intermediate Similarity NPC46009
0.7939 Intermediate Similarity NPC56635
0.7933 Intermediate Similarity NPC477526
0.7929 Intermediate Similarity NPC107938
0.7929 Intermediate Similarity NPC294516
0.7917 Intermediate Similarity NPC63931
0.7907 Intermediate Similarity NPC164608
0.7885 Intermediate Similarity NPC127741
0.7877 Intermediate Similarity NPC64140
0.7877 Intermediate Similarity NPC174122
0.7874 Intermediate Similarity NPC45037
0.7865 Intermediate Similarity NPC329731
0.7833 Intermediate Similarity NPC248822
0.7831 Intermediate Similarity NPC207675
0.7831 Intermediate Similarity NPC212699
0.7829 Intermediate Similarity NPC32064
0.7826 Intermediate Similarity NPC135121
0.7821 Intermediate Similarity NPC234069
0.7812 Intermediate Similarity NPC201244
0.7812 Intermediate Similarity NPC477217
0.7809 Intermediate Similarity NPC276120
0.7803 Intermediate Similarity NPC476227
0.7803 Intermediate Similarity NPC473402
0.7802 Intermediate Similarity NPC184933
0.7802 Intermediate Similarity NPC59827
0.7791 Intermediate Similarity NPC230611
0.7791 Intermediate Similarity NPC89831
0.7784 Intermediate Similarity NPC476321
0.7746 Intermediate Similarity NPC306804
0.7746 Intermediate Similarity NPC137627
0.774 Intermediate Similarity NPC471526
0.7719 Intermediate Similarity NPC209463
0.7701 Intermediate Similarity NPC155506
0.7701 Intermediate Similarity NPC279871
0.7701 Intermediate Similarity NPC159767
0.7697 Intermediate Similarity NPC471050
0.7697 Intermediate Similarity NPC471049
0.7697 Intermediate Similarity NPC471048
0.7697 Intermediate Similarity NPC262166
0.7697 Intermediate Similarity NPC294951
0.7692 Intermediate Similarity NPC470392
0.7676 Intermediate Similarity NPC477527
0.7674 Intermediate Similarity NPC469505
0.7661 Intermediate Similarity NPC61004
0.7658 Intermediate Similarity NPC68865
0.7654 Intermediate Similarity NPC138083
0.7605 Intermediate Similarity NPC473580
0.7605 Intermediate Similarity NPC476268
0.76 Intermediate Similarity NPC158277
0.7594 Intermediate Similarity NPC477551
0.759 Intermediate Similarity NPC5194
0.759 Intermediate Similarity NPC261934
0.759 Intermediate Similarity NPC56685
0.7584 Intermediate Similarity NPC473404
0.7581 Intermediate Similarity NPC477552
0.7581 Intermediate Similarity NPC477550
0.7581 Intermediate Similarity NPC323662
0.7576 Intermediate Similarity NPC473491
0.7571 Intermediate Similarity NPC269750
0.7571 Intermediate Similarity NPC194671
0.7568 Intermediate Similarity NPC149962
0.754 Intermediate Similarity NPC123859
0.7539 Intermediate Similarity NPC194699
0.7539 Intermediate Similarity NPC219350
0.753 Intermediate Similarity NPC233702
0.7529 Intermediate Similarity NPC469243
0.7527 Intermediate Similarity NPC144314
0.7527 Intermediate Similarity NPC102959
0.7516 Intermediate Similarity NPC246079
0.75 Intermediate Similarity NPC16188
0.75 Intermediate Similarity NPC244509
0.75 Intermediate Similarity NPC473450
0.7487 Intermediate Similarity NPC50548
0.7487 Intermediate Similarity NPC326027
0.7486 Intermediate Similarity NPC473305
0.7486 Intermediate Similarity NPC60516
0.7486 Intermediate Similarity NPC163961
0.7486 Intermediate Similarity NPC29531
0.7485 Intermediate Similarity NPC202198
0.7474 Intermediate Similarity NPC326333
0.7473 Intermediate Similarity NPC94862
0.7469 Intermediate Similarity NPC91953
0.7469 Intermediate Similarity NPC189724
0.7469 Intermediate Similarity NPC212850
0.7469 Intermediate Similarity NPC83289
0.7459 Intermediate Similarity NPC328763
0.7459 Intermediate Similarity NPC65714
0.7455 Intermediate Similarity NPC9373
0.7427 Intermediate Similarity NPC475544
0.7421 Intermediate Similarity NPC311357
0.7414 Intermediate Similarity NPC302597
0.7407 Intermediate Similarity NPC242728
0.7407 Intermediate Similarity NPC197921
0.7407 Intermediate Similarity NPC476989
0.7403 Intermediate Similarity NPC476260
0.7403 Intermediate Similarity NPC476241
0.7399 Intermediate Similarity NPC223207
0.7394 Intermediate Similarity NPC247298
0.7394 Intermediate Similarity NPC145113
0.7391 Intermediate Similarity NPC61332
0.7391 Intermediate Similarity NPC240130
0.7386 Intermediate Similarity NPC328494
0.7385 Intermediate Similarity NPC469442
0.7385 Intermediate Similarity NPC277306
0.738 Intermediate Similarity NPC473371
0.7368 Intermediate Similarity NPC244336
0.7366 Intermediate Similarity NPC302715
0.7362 Intermediate Similarity NPC469360
0.7362 Intermediate Similarity NPC139326
0.7358 Intermediate Similarity NPC274732
0.7356 Intermediate Similarity NPC290755
0.7356 Intermediate Similarity NPC304074
0.7356 Intermediate Similarity NPC471771
0.7355 Intermediate Similarity NPC476179
0.7355 Intermediate Similarity NPC476125
0.7346 Intermediate Similarity NPC46098
0.7346 Intermediate Similarity NPC307357
0.7346 Intermediate Similarity NPC268841
0.734 Intermediate Similarity NPC471592
0.733 Intermediate Similarity NPC274198
0.733 Intermediate Similarity NPC269383
0.733 Intermediate Similarity NPC198254
0.733 Intermediate Similarity NPC151030
0.7329 Intermediate Similarity NPC471264
0.7329 Intermediate Similarity NPC471265
0.7321 Intermediate Similarity NPC162104
0.7317 Intermediate Similarity NPC204546
0.731 Intermediate Similarity NPC25539
0.7305 Intermediate Similarity NPC245974
0.7301 Intermediate Similarity NPC263493
0.7301 Intermediate Similarity NPC269398
0.7283 Intermediate Similarity NPC241794
0.7273 Intermediate Similarity NPC5620
0.7273 Intermediate Similarity NPC129486
0.7261 Intermediate Similarity NPC319766
0.7257 Intermediate Similarity NPC469479
0.7256 Intermediate Similarity NPC161069
0.7255 Intermediate Similarity NPC476183
0.725 Intermediate Similarity NPC97870
0.725 Intermediate Similarity NPC247018
0.725 Intermediate Similarity NPC307123
0.7239 Intermediate Similarity NPC239762
0.7239 Intermediate Similarity NPC163392
0.7234 Intermediate Similarity NPC471563
0.7232 Intermediate Similarity NPC276506
0.7209 Intermediate Similarity NPC197743
0.7209 Intermediate Similarity NPC326349
0.7209 Intermediate Similarity NPC297145
0.7209 Intermediate Similarity NPC323336
0.7208 Intermediate Similarity NPC476184
0.7208 Intermediate Similarity NPC476281
0.7207 Intermediate Similarity NPC136797
0.7202 Intermediate Similarity NPC2501
0.7198 Intermediate Similarity NPC477637
0.7195 Intermediate Similarity NPC469427
0.7195 Intermediate Similarity NPC469426
0.7188 Intermediate Similarity NPC45191
0.7178 Intermediate Similarity NPC470884
0.7178 Intermediate Similarity NPC178662
0.7178 Intermediate Similarity NPC92784
0.7178 Intermediate Similarity NPC476133
0.7178 Intermediate Similarity NPC98424
0.7175 Intermediate Similarity NPC280022
0.7169 Intermediate Similarity NPC313867

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC186617 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
0.8047 Intermediate Similarity NPD7608 Discontinued
0.7922 Intermediate Similarity NPD5745 Approved
0.7914 Intermediate Similarity NPD7131 Phase 3
0.7792 Intermediate Similarity NPD5746 Approved
0.7778 Intermediate Similarity NPD7484 Phase 3
0.7778 Intermediate Similarity NPD7485 Phase 3
0.7558 Intermediate Similarity NPD8303 Discontinued
0.7529 Intermediate Similarity NPD7972 Discontinued
0.7515 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD2515 Approved
0.7471 Intermediate Similarity NPD3007 Approved
0.747 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD6390 Discontinued
0.7412 Intermediate Similarity NPD2513 Approved
0.7407 Intermediate Similarity NPD2239 Approved
0.7407 Intermediate Similarity NPD2240 Approved
0.7377 Intermediate Similarity NPD6089 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD22 Approved
0.7353 Intermediate Similarity NPD2053 Approved
0.7321 Intermediate Similarity NPD4186 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD6681 Discovery
0.7299 Intermediate Similarity NPD8031 Discontinued
0.7294 Intermediate Similarity NPD2052 Approved
0.7256 Intermediate Similarity NPD7978 Discontinued
0.7253 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD1423 Approved
0.7213 Intermediate Similarity NPD7280 Phase 3
0.7213 Intermediate Similarity NPD7281 Phase 3
0.7209 Intermediate Similarity NPD6677 Suspended
0.7198 Intermediate Similarity NPD8014 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6851 Approved
0.7174 Intermediate Similarity NPD6853 Approved
0.7173 Intermediate Similarity NPD7811 Phase 3
0.7173 Intermediate Similarity NPD7810 Phase 3
0.7152 Intermediate Similarity NPD3656 Approved
0.7143 Intermediate Similarity NPD7959 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5772 Approved
0.7126 Intermediate Similarity NPD5773 Approved
0.7125 Intermediate Similarity NPD3136 Phase 2
0.7119 Intermediate Similarity NPD2041 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD2042 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD8070 Approved
0.7088 Intermediate Similarity NPD5484 Approved
0.7088 Intermediate Similarity NPD5485 Approved
0.7081 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6419 Discontinued
0.7059 Intermediate Similarity NPD3536 Discontinued
0.7049 Intermediate Similarity NPD6297 Approved
0.7041 Intermediate Similarity NPD5295 Discontinued
0.7022 Intermediate Similarity NPD2904 Discontinued
0.7011 Intermediate Similarity NPD6072 Discontinued
0.7006 Intermediate Similarity NPD3655 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7565 Approved
0.6989 Remote Similarity NPD2097 Approved
0.6988 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6988 Remote Similarity NPD1725 Approved
0.6983 Remote Similarity NPD2516 Approved
0.6977 Remote Similarity NPD7523 Phase 3
0.6971 Remote Similarity NPD5355 Approved
0.6971 Remote Similarity NPD5356 Approved
0.6971 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6964 Remote Similarity NPD6860 Clinical (unspecified phase)
0.6964 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6946 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6944 Remote Similarity NPD2517 Approved
0.6944 Remote Similarity NPD4652 Approved
0.6923 Remote Similarity NPD5481 Discontinued
0.6919 Remote Similarity NPD52 Approved
0.6919 Remote Similarity NPD7526 Approved
0.6919 Remote Similarity NPD7613 Discontinued
0.6919 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4434 Approved
0.6914 Remote Similarity NPD3165 Approved
0.6914 Remote Similarity NPD3167 Approved
0.6914 Remote Similarity NPD3166 Approved
0.6914 Remote Similarity NPD3164 Approved
0.691 Remote Similarity NPD2098 Approved
0.6909 Remote Similarity NPD8173 Phase 2
0.6909 Remote Similarity NPD8172 Phase 2
0.6901 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6895 Remote Similarity NPD6504 Approved
0.6895 Remote Similarity NPD6505 Approved
0.6893 Remote Similarity NPD7318 Phase 3
0.689 Remote Similarity NPD8416 Discontinued
0.6886 Remote Similarity NPD6032 Approved
0.6879 Remote Similarity NPD1670 Discontinued
0.6878 Remote Similarity NPD4435 Approved
0.6875 Remote Similarity NPD1817 Approved
0.6875 Remote Similarity NPD1818 Approved
0.6875 Remote Similarity NPD1820 Approved
0.6875 Remote Similarity NPD1819 Approved
0.6872 Remote Similarity NPD6519 Phase 2
0.686 Remote Similarity NPD3985 Discontinued
0.686 Remote Similarity NPD4739 Approved
0.6848 Remote Similarity NPD5312 Approved
0.6848 Remote Similarity NPD5313 Approved
0.6842 Remote Similarity NPD5756 Phase 2
0.6829 Remote Similarity NPD2245 Discovery
0.6821 Remote Similarity NPD7303 Discontinued
0.6813 Remote Similarity NPD196 Phase 1
0.681 Remote Similarity NPD3179 Approved
0.681 Remote Similarity NPD3180 Approved
0.681 Remote Similarity NPD5163 Phase 2
0.681 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5946 Clinical (unspecified phase)
0.6807 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6798 Remote Similarity NPD5967 Approved
0.6788 Remote Similarity NPD6346 Approved
0.6784 Remote Similarity NPD2219 Phase 1
0.678 Remote Similarity NPD7495 Discontinued
0.678 Remote Similarity NPD7317 Phase 3
0.678 Remote Similarity NPD8019 Approved
0.6778 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4236 Phase 3
0.6765 Remote Similarity NPD4237 Approved
0.6763 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6763 Remote Similarity NPD3146 Approved
0.6758 Remote Similarity NPD7315 Approved
0.6746 Remote Similarity NPD8076 Discontinued
0.6744 Remote Similarity NPD6667 Approved
0.6744 Remote Similarity NPD6666 Approved
0.6743 Remote Similarity NPD4210 Discontinued
0.6743 Remote Similarity NPD3687 Approved
0.6743 Remote Similarity NPD3686 Approved
0.6742 Remote Similarity NPD3465 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6724 Remote Similarity NPD1975 Clinical (unspecified phase)
0.6723 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6721 Remote Similarity NPD2388 Discontinued
0.6719 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6709 Remote Similarity NPD2668 Approved
0.6709 Remote Similarity NPD2667 Approved
0.6708 Remote Similarity NPD3125 Approved
0.6704 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6703 Remote Similarity NPD6107 Approved
0.6703 Remote Similarity NPD2888 Approved
0.6703 Remote Similarity NPD2889 Approved
0.6703 Remote Similarity NPD2017 Approved
0.6703 Remote Similarity NPD2890 Approved
0.6701 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6686 Remote Similarity NPD7450 Phase 2
0.6685 Remote Similarity NPD6315 Phase 2
0.6685 Remote Similarity NPD4018 Clinical (unspecified phase)
0.6684 Remote Similarity NPD3154 Approved
0.6684 Remote Similarity NPD3153 Approved
0.6667 Remote Similarity NPD2458 Approved
0.6667 Remote Similarity NPD1794 Approved
0.6667 Remote Similarity NPD2460 Phase 3
0.6667 Remote Similarity NPD8417 Discontinued
0.6667 Remote Similarity NPD2459 Approved
0.6667 Remote Similarity NPD1048 Approved
0.6667 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5291 Approved
0.6667 Remote Similarity NPD5292 Approved
0.6649 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6648 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6648 Remote Similarity NPD4124 Clinical (unspecified phase)
0.6647 Remote Similarity NPD8643 Discontinued
0.6647 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3685 Discontinued
0.6633 Remote Similarity NPD6863 Phase 2
0.6632 Remote Similarity NPD6556 Clinical (unspecified phase)
0.663 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6873 Phase 2
0.6629 Remote Similarity NPD6385 Approved
0.6629 Remote Similarity NPD6386 Approved
0.6628 Remote Similarity NPD1662 Clinical (unspecified phase)
0.6627 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6627 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6620 Discovery
0.6611 Remote Similarity NPD6063 Approved
0.6608 Remote Similarity NPD7153 Discontinued
0.6607 Remote Similarity NPD3054 Approved
0.6607 Remote Similarity NPD3052 Approved
0.6595 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6593 Remote Similarity NPD6862 Phase 2
0.6592 Remote Similarity NPD5722 Discontinued
0.6591 Remote Similarity NPD2122 Discontinued
0.6591 Remote Similarity NPD6662 Clinical (unspecified phase)
0.659 Remote Similarity NPD3692 Discontinued
0.659 Remote Similarity NPD8323 Discontinued
0.6588 Remote Similarity NPD2161 Phase 2
0.6587 Remote Similarity NPD3142 Approved
0.6587 Remote Similarity NPD3140 Approved
0.6584 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6584 Remote Similarity NPD2584 Suspended
0.6582 Remote Similarity NPD2218 Phase 2
0.6582 Remote Similarity NPD2217 Approved
0.6578 Remote Similarity NPD3965 Phase 1
0.657 Remote Similarity NPD4162 Approved
0.6568 Remote Similarity NPD5688 Approved
0.6568 Remote Similarity NPD5689 Approved
0.6568 Remote Similarity NPD6852 Discontinued
0.6566 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6566 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6566 Remote Similarity NPD1330 Phase 2
0.6564 Remote Similarity NPD4466 Phase 1

Structure

External Identifiers

PubChem CID   10819817
ChEMBL   CHEMBL2372269
ZINC  

Physicochemical Properties

Molecular Weight:  998.61
ALogP:  -1.9364
MLogP:  4.87
XLogP:  4.35
# Rotatable Bonds:  30
Polar Surface Area:  264.2
# H-Bond Aceptor:  19
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  71

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs