Natural Product: NPC126061

Natural Product ID:  NPC126061
Common Name:   Haterumadioxin A
IUPAC Name:   2-[(3S,6R)-4,6-diethyl-6-[(E,2R)-2-ethylhex-3-enyl]-3H-1,2-dioxin-3-yl]acetic acid
Synonyms:   Haterumadioxin A
Molecular Formula:   C18H30O4
Standard InCHIKey:  ZQUICPBUMISQIC-MCRIOUDWSA-N
Standard InCHI:  InChI=1S/C18H30O4/c1-5-9-10-14(6-2)12-18(8-4)13-15(7-3)16(21-22-18)11-17(19)20/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,19,20)/b10-9+/t14-,16-,18+/m0/s1
Canonical SMILES:  CC/C=C/[C@@H](C[C@@]1(CC)OO[C@H](C(=C1)CC)CC(=O)O)CC
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
NPO4331 Plakortis lita Species Plakinidae Eukaryota Okinawan PMID[11277756]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT374 Cell Line SF-539 Homo sapiens GI50 = 1819.7 nM Open TG-GATES in vivo data: Biochemistry
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 1659.59 nM Open TG-GATES in vivo data: Biochemistry
NPT395 Cell Line SF-268 Homo sapiens GI50 = 1819.7 nM Open TG-GATES in vivo data: Biochemistry
NPT399 Cell Line SF-295 Homo sapiens GI50 = 1778.28 nM Open TG-GATES in vivo data: Biochemistry
NPT386 Cell Line KM12 Homo sapiens GI50 = 1819.7 nM Open TG-GATES in vivo data: Biochemistry
NPT139 Cell Line HT-29 Homo sapiens GI50 = 1949.84 nM Open TG-GATES in vivo data: Biochemistry
NPT578 Cell Line SNB-78 Homo sapiens GI50 = 1862.09 nM Open TG-GATES in vivo data: Biochemistry
NPT391 Cell Line HCC 2998 Homo sapiens GI50 = 1905.46 nM Open TG-GATES in vivo data: Biochemistry
NPT148 Cell Line HCT-15 Homo sapiens GI50 = 1698.24 nM Open TG-GATES in vivo data: Biochemistry
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 1548.82 nM Open TG-GATES in vivo data: Biochemistry
NPT2 Others Unspecified GI50 = 1778.28 nM 24864039
NPT2 Others Unspecified GI50 = 1174.9 nM 24864039
NPT83 Cell Line MCF7 Homo sapiens GI50 = 1737.8 nM 24864039
NPT2 Others Unspecified GI50 = 1318.26 nM 24864039
NPT168 Cell Line P388 Mus musculus IC50 = 0.011 ug/ml 24864039
NPT380 Cell Line U-251 Homo sapiens GI50 = 1778.28 nM 24864039
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 1862.09 nM 24864039
NPT306 Cell Line PC-3 Homo sapiens GI50 = 1905.46 nM 11277756
NPT2723 Cell Line MKN-74 Homo sapiens GI50 = 2187.76 nM 11277756
NPT90 Cell Line DU-145 Homo sapiens GI50 = 1698.24 nM 11277756
NPT576 Cell Line DMS-114 Homo sapiens GI50 = 1479.11 nM 15787431
NPT1179 Cell Line MKN-28 Homo sapiens GI50 = 2238.72 nM 18285482
NPT1097 Cell Line MKN-45 Homo sapiens GI50 = 2041.74 nM 18285482
NPT369 Cell Line ACHN Homo sapiens GI50 = 1174.9 nM 18285482
NPT2722 Cell Line St-4 Homo sapiens GI50 = 2089.3 nM 18285482
NPT2 Others Unspecified GI50 = 831.76 nM 18285482
NPT2398 Cell Line MKN-7 Homo sapiens GI50 = 1905.46 nM 18285482
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 1819.7 nM 18285482
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 2137.96 nM 18285482
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 = 1995.26 nM 18285482
NPT2 Others Unspecified GI50 = 1698.24 nM 18285482
NPT2 Others Unspecified IC50 = 0.011 ug/ml 18183025
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 = 676.08 nM 16643022
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 = 1548.82 nM 16643022
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 100 nM 16643022
NPT572 Cell Line DMS-273 Homo sapiens GI50 = 1412.54 nM 16643022
NPT81 Cell Line A549 Homo sapiens GI50 = 1949.84 nM 16643022
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 1819.7 nM 16643022
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 1862.09 nM 16643022
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 1778.28 nM 16643022
NPT370 Cell Line NCI-H23 Homo sapiens GI50 = 5495.41 nM 16643022

  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 NPC126061 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
0.9286 High Similarity NPC199445
0.9265 High Similarity NPC472017
0.8904 High Similarity NPC121200
0.8841 High Similarity NPC107130
0.8767 High Similarity NPC281296
0.8732 High Similarity NPC238425
0.8732 High Similarity NPC472018
0.8732 High Similarity NPC474543
0.8714 High Similarity NPC69462
0.8611 High Similarity NPC474551
0.8493 Intermediate Similarity NPC60718
0.8378 Intermediate Similarity NPC469514
0.8378 Intermediate Similarity NPC474447
0.8158 Intermediate Similarity NPC127526
0.8052 Intermediate Similarity NPC82488
0.8052 Intermediate Similarity NPC308545
0.8025 Intermediate Similarity NPC476982
0.7973 Intermediate Similarity NPC167145
0.7875 Intermediate Similarity NPC69469
0.7867 Intermediate Similarity NPC330016
0.7848 Intermediate Similarity NPC172309
0.7848 Intermediate Similarity NPC117960
0.7848 Intermediate Similarity NPC14044
0.7821 Intermediate Similarity NPC113363
0.7763 Intermediate Similarity NPC255060
0.7683 Intermediate Similarity NPC471344
0.7681 Intermediate Similarity NPC328311
0.7662 Intermediate Similarity NPC239127
0.7654 Intermediate Similarity NPC16488
0.7654 Intermediate Similarity NPC476983
0.7625 Intermediate Similarity NPC475481
0.7625 Intermediate Similarity NPC79277
0.76 Intermediate Similarity NPC67076
0.76 Intermediate Similarity NPC319163
0.7595 Intermediate Similarity NPC201225
0.759 Intermediate Similarity NPC476104
0.7564 Intermediate Similarity NPC476264
0.7564 Intermediate Similarity NPC476325
0.7532 Intermediate Similarity NPC329852
0.7531 Intermediate Similarity NPC85772
0.75 Intermediate Similarity NPC318420
0.75 Intermediate Similarity NPC86005
0.75 Intermediate Similarity NPC115418
0.75 Intermediate Similarity NPC326268
0.747 Intermediate Similarity NPC261380
0.7468 Intermediate Similarity NPC267231
0.7468 Intermediate Similarity NPC478122
0.7467 Intermediate Similarity NPC318766
0.7436 Intermediate Similarity NPC266119
0.7436 Intermediate Similarity NPC279537
0.7407 Intermediate Similarity NPC47031
0.7397 Intermediate Similarity NPC284447
0.7381 Intermediate Similarity NPC315395
0.7381 Intermediate Similarity NPC262085
0.7381 Intermediate Similarity NPC316426
0.7375 Intermediate Similarity NPC475210
0.7375 Intermediate Similarity NPC321728
0.7349 Intermediate Similarity NPC295799
0.7349 Intermediate Similarity NPC158756
0.7342 Intermediate Similarity NPC122847
0.7342 Intermediate Similarity NPC107668
0.7317 Intermediate Similarity NPC474252
0.7317 Intermediate Similarity NPC7414
0.7294 Intermediate Similarity NPC477959
0.7286 Intermediate Similarity NPC318306
0.7286 Intermediate Similarity NPC329249
0.7273 Intermediate Similarity NPC238948
0.7273 Intermediate Similarity NPC215745
0.7273 Intermediate Similarity NPC12815
0.7262 Intermediate Similarity NPC474369
0.7262 Intermediate Similarity NPC125290
0.7262 Intermediate Similarity NPC470755
0.726 Intermediate Similarity NPC320642
0.725 Intermediate Similarity NPC476986
0.725 Intermediate Similarity NPC27949
0.725 Intermediate Similarity NPC218817
0.725 Intermediate Similarity NPC192006
0.725 Intermediate Similarity NPC93763
0.725 Intermediate Similarity NPC39547
0.725 Intermediate Similarity NPC11796
0.725 Intermediate Similarity NPC108816
0.725 Intermediate Similarity NPC260814
0.725 Intermediate Similarity NPC323249
0.725 Intermediate Similarity NPC470905
0.7229 Intermediate Similarity NPC44261
0.72 Intermediate Similarity NPC273508
0.72 Intermediate Similarity NPC209327
0.7195 Intermediate Similarity NPC88735
0.7195 Intermediate Similarity NPC476988
0.7195 Intermediate Similarity NPC325031
0.7195 Intermediate Similarity NPC316844
0.7183 Intermediate Similarity NPC327112
0.7179 Intermediate Similarity NPC474758
0.7176 Intermediate Similarity NPC469910
0.7176 Intermediate Similarity NPC469483
0.7176 Intermediate Similarity NPC116575
0.7176 Intermediate Similarity NPC472009
0.716 Intermediate Similarity NPC164308
0.7159 Intermediate Similarity NPC32552
0.7143 Intermediate Similarity NPC70424
0.7143 Intermediate Similarity NPC320119
0.7143 Intermediate Similarity NPC219966
0.7143 Intermediate Similarity NPC243618
0.7143 Intermediate Similarity NPC474590
0.7126 Intermediate Similarity NPC471342
0.7126 Intermediate Similarity NPC469866
0.7125 Intermediate Similarity NPC469867
0.7125 Intermediate Similarity NPC116177
0.7125 Intermediate Similarity NPC474278
0.7125 Intermediate Similarity NPC320630
0.7125 Intermediate Similarity NPC7563
0.7125 Intermediate Similarity NPC120776
0.7125 Intermediate Similarity NPC240170
0.7125 Intermediate Similarity NPC474760
0.7123 Intermediate Similarity NPC234767
0.7123 Intermediate Similarity NPC470320
0.7121 Intermediate Similarity NPC48162
0.7108 Intermediate Similarity NPC476984
0.7108 Intermediate Similarity NPC26624
0.7108 Intermediate Similarity NPC475395
0.7105 Intermediate Similarity NPC470436
0.7105 Intermediate Similarity NPC236208
0.7105 Intermediate Similarity NPC101622
0.7105 Intermediate Similarity NPC151481
0.7093 Intermediate Similarity NPC472007
0.7083 Intermediate Similarity NPC113293
0.7083 Intermediate Similarity NPC55376
0.7073 Intermediate Similarity NPC469920
0.7073 Intermediate Similarity NPC233377
0.7073 Intermediate Similarity NPC103634
0.7067 Intermediate Similarity NPC26500
0.7067 Intermediate Similarity NPC99619
0.7067 Intermediate Similarity NPC472875
0.7051 Intermediate Similarity NPC275098
0.7051 Intermediate Similarity NPC186042
0.7051 Intermediate Similarity NPC326024
0.7045 Intermediate Similarity NPC313670
0.7042 Intermediate Similarity NPC475931
0.7027 Intermediate Similarity NPC255863
0.7027 Intermediate Similarity NPC136164
0.7027 Intermediate Similarity NPC245947
0.7024 Intermediate Similarity NPC473390
0.7024 Intermediate Similarity NPC52923
0.7024 Intermediate Similarity NPC169575
0.7024 Intermediate Similarity NPC477784
0.7024 Intermediate Similarity NPC476100
0.7024 Intermediate Similarity NPC250315
0.7024 Intermediate Similarity NPC131669
0.7024 Intermediate Similarity NPC477786
0.7024 Intermediate Similarity NPC40746
0.7024 Intermediate Similarity NPC475989
0.7024 Intermediate Similarity NPC477785
0.7015 Intermediate Similarity NPC216407
0.7013 Intermediate Similarity NPC67183
0.7013 Intermediate Similarity NPC4299
0.7011 Intermediate Similarity NPC476803
0.7011 Intermediate Similarity NPC472008
0.7011 Intermediate Similarity NPC475819
0.7011 Intermediate Similarity NPC476805
0.7 Intermediate Similarity NPC476987
0.7 Intermediate Similarity NPC51391
0.7 Intermediate Similarity NPC59602
0.7 Intermediate Similarity NPC61863
0.7 Intermediate Similarity NPC152754
0.7 Intermediate Similarity NPC49392
0.7 Intermediate Similarity NPC12740
0.7 Intermediate Similarity NPC4492
0.7 Intermediate Similarity NPC110461
0.7 Intermediate Similarity NPC190400
0.6988 Remote Similarity NPC52861
0.6988 Remote Similarity NPC24417
0.6988 Remote Similarity NPC470241
0.6988 Remote Similarity NPC474980
0.6977 Remote Similarity NPC261721
0.6977 Remote Similarity NPC278283
0.6977 Remote Similarity NPC477994
0.6977 Remote Similarity NPC478112
0.6977 Remote Similarity NPC477993
0.6977 Remote Similarity NPC475753
0.6966 Remote Similarity NPC261607
0.6966 Remote Similarity NPC142838
0.6966 Remote Similarity NPC300312
0.6966 Remote Similarity NPC111114
0.6962 Remote Similarity NPC476355
0.6962 Remote Similarity NPC227396
0.6962 Remote Similarity NPC160540
0.6962 Remote Similarity NPC140287
0.6951 Remote Similarity NPC246458
0.6951 Remote Similarity NPC471537
0.6951 Remote Similarity NPC98557
0.6951 Remote Similarity NPC473981
0.6951 Remote Similarity NPC469617
0.6951 Remote Similarity NPC325869
0.6951 Remote Similarity NPC473980
0.6951 Remote Similarity NPC99651
0.6951 Remote Similarity NPC139712
0.6951 Remote Similarity NPC167881
0.6944 Remote Similarity NPC243532
0.6941 Remote Similarity NPC72464
0.6941 Remote Similarity NPC9868

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC126061 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
0.75 Intermediate Similarity NPD4252 Approved
0.7317 Intermediate Similarity NPD4270 Approved
0.7317 Intermediate Similarity NPD4269 Approved
0.7284 Intermediate Similarity NPD4819 Approved
0.7284 Intermediate Similarity NPD4821 Approved
0.7284 Intermediate Similarity NPD4820 Approved
0.7284 Intermediate Similarity NPD4822 Approved
0.725 Intermediate Similarity NPD4268 Approved
0.725 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD4271 Approved
0.7229 Intermediate Similarity NPD7154 Phase 3
0.7195 Intermediate Similarity NPD5369 Approved
0.7183 Intermediate Similarity NPD4246 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD5778 Approved
0.7079 Intermediate Similarity NPD5779 Approved
0.7073 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5363 Approved
0.7024 Intermediate Similarity NPD5362 Discontinued
0.6977 Remote Similarity NPD5786 Approved
0.6966 Remote Similarity NPD7983 Approved
0.6932 Remote Similarity NPD6101 Approved
0.6932 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5368 Approved
0.6848 Remote Similarity NPD7839 Suspended
0.6842 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6824 Remote Similarity NPD5332 Approved
0.6824 Remote Similarity NPD5331 Approved
0.6818 Remote Similarity NPD3173 Approved
0.6786 Remote Similarity NPD4790 Discontinued
0.6778 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6778 Remote Similarity NPD6411 Approved
0.6778 Remote Similarity NPD7637 Suspended
0.6742 Remote Similarity NPD5370 Suspended
0.6706 Remote Similarity NPD5209 Approved
0.6706 Remote Similarity NPD6435 Approved
0.6667 Remote Similarity NPD5785 Approved
0.6667 Remote Similarity NPD6698 Approved
0.6667 Remote Similarity NPD46 Approved
0.6667 Remote Similarity NPD3172 Approved
0.6667 Remote Similarity NPD3197 Phase 1
0.6622 Remote Similarity NPD368 Approved
0.6591 Remote Similarity NPD4249 Approved
0.6579 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6571 Remote Similarity NPD4266 Approved
0.6571 Remote Similarity NPD3195 Phase 2
0.6571 Remote Similarity NPD3196 Approved
0.6571 Remote Similarity NPD3194 Approved
0.6517 Remote Similarity NPD4251 Approved
0.6517 Remote Similarity NPD4250 Approved
0.6494 Remote Similarity NPD7331 Phase 2
0.6463 Remote Similarity NPD8039 Approved
0.6429 Remote Similarity NPD3732 Approved
0.6383 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4222 Approved
0.6364 Remote Similarity NPD3174 Discontinued
0.631 Remote Similarity NPD4756 Discovery
0.6292 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6277 Remote Similarity NPD5282 Discontinued
0.625 Remote Similarity NPD342 Phase 1
0.6222 Remote Similarity NPD6422 Discontinued
0.622 Remote Similarity NPD4732 Discontinued
0.6186 Remote Similarity NPD4225 Approved
0.618 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7341 Phase 2
0.6146 Remote Similarity NPD4228 Discovery
0.6143 Remote Similarity NPD29 Approved
0.6143 Remote Similarity NPD28 Approved
0.6139 Remote Similarity NPD5048 Discontinued
0.6136 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6129 Remote Similarity NPD7838 Discovery
0.6119 Remote Similarity NPD39 Approved
0.6092 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6078 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6067 Remote Similarity NPD6110 Phase 1
0.6064 Remote Similarity NPD7515 Phase 2
0.6042 Remote Similarity NPD5695 Phase 3
0.602 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6019 Remote Similarity NPD7115 Discovery
0.6 Remote Similarity NPD6109 Phase 1
0.6 Remote Similarity NPD5766 Clinical (unspecified phase)
0.6 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6 Remote Similarity NPD6399 Phase 3
0.5974 Remote Similarity NPD4192 Approved
0.5974 Remote Similarity NPD4194 Approved
0.5974 Remote Similarity NPD4193 Approved
0.5974 Remote Similarity NPD4191 Approved
0.5955 Remote Similarity NPD3667 Approved
0.5942 Remote Similarity NPD622 Approved
0.5942 Remote Similarity NPD5343 Approved
0.5938 Remote Similarity NPD7748 Approved
0.5934 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5934 Remote Similarity NPD1694 Approved
0.5918 Remote Similarity NPD6084 Phase 2
0.5918 Remote Similarity NPD6083 Phase 2
0.5915 Remote Similarity NPD6927 Phase 3
0.5909 Remote Similarity NPD7332 Phase 2
0.5909 Remote Similarity NPD7514 Phase 3
0.5905 Remote Similarity NPD6371 Approved
0.5897 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5895 Remote Similarity NPD5284 Approved
0.5895 Remote Similarity NPD5281 Approved
0.5882 Remote Similarity NPD8264 Approved
0.587 Remote Similarity NPD4519 Discontinued
0.587 Remote Similarity NPD4623 Approved
0.5862 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5859 Remote Similarity NPD5696 Approved
0.5859 Remote Similarity NPD7638 Approved
0.5851 Remote Similarity NPD4753 Phase 2
0.5824 Remote Similarity NPD3665 Phase 1
0.5824 Remote Similarity NPD3133 Approved
0.5824 Remote Similarity NPD3666 Approved
0.5824 Remote Similarity NPD4786 Approved
0.5823 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5821 Remote Similarity NPD5326 Phase 3
0.5804 Remote Similarity NPD8513 Phase 3
0.58 Remote Similarity NPD7640 Approved
0.58 Remote Similarity NPD7639 Approved
0.5794 Remote Similarity NPD6053 Discontinued
0.5784 Remote Similarity NPD5738 Clinical (unspecified phase)
0.5784 Remote Similarity NPD6647 Phase 2
0.5778 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5697 Approved
0.5758 Remote Similarity NPD7902 Approved
0.5747 Remote Similarity NPD6932 Approved
0.5743 Remote Similarity NPD5344 Discontinued
0.573 Remote Similarity NPD4695 Discontinued
0.5714 Remote Similarity NPD6686 Approved
0.5714 Remote Similarity NPD4629 Approved
0.5714 Remote Similarity NPD6899 Approved
0.5714 Remote Similarity NPD5210 Approved
0.5714 Remote Similarity NPD6881 Approved
0.5699 Remote Similarity NPD5330 Approved
0.5699 Remote Similarity NPD7521 Approved
0.5699 Remote Similarity NPD5279 Phase 3
0.5699 Remote Similarity NPD6409 Approved
0.5699 Remote Similarity NPD6684 Approved
0.5699 Remote Similarity NPD7146 Approved
0.5699 Remote Similarity NPD7334 Approved
0.5699 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5699 Remote Similarity NPD3618 Phase 1
0.5686 Remote Similarity NPD5211 Phase 2
0.5684 Remote Similarity NPD1695 Approved
0.5682 Remote Similarity NPD7145 Approved
0.5679 Remote Similarity NPD3704 Approved
0.5676 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5673 Remote Similarity NPD7128 Approved
0.5673 Remote Similarity NPD6402 Approved
0.5673 Remote Similarity NPD5739 Approved
0.5673 Remote Similarity NPD6675 Approved
0.567 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5667 Remote Similarity NPD6902 Approved
0.5664 Remote Similarity NPD8517 Approved
0.5664 Remote Similarity NPD8516 Approved
0.5664 Remote Similarity NPD8515 Approved
0.566 Remote Similarity NPD6014 Approved
0.566 Remote Similarity NPD6013 Approved
0.566 Remote Similarity NPD6012 Approved
0.5652 Remote Similarity NPD4265 Approved
0.5652 Remote Similarity NPD3668 Phase 3
0.5644 Remote Similarity NPD6648 Approved
0.5644 Remote Similarity NPD5286 Approved
0.5644 Remote Similarity NPD5285 Approved
0.5644 Remote Similarity NPD4696 Approved
0.5634 Remote Similarity NPD4220 Pre-registration
0.5619 Remote Similarity NPD5701 Approved
0.5612 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5607 Remote Similarity NPD6883 Approved
0.5607 Remote Similarity NPD7102 Approved
0.5607 Remote Similarity NPD7290 Approved
0.5607 Remote Similarity NPD6421 Discontinued
0.5604 Remote Similarity NPD4223 Phase 3
0.5604 Remote Similarity NPD4221 Approved
0.56 Remote Similarity NPD4755 Approved

Structure

External Identifiers

PubChem CID   10425522
ChEMBL   CHEMBL428146
ZINC  

Physicochemical Properties

Molecular Weight:  310.21
ALogP:  0.3858
MLogP:  3
XLogP:  4.679
# Rotatable Bonds:  14
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  22

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Biological Activities  
Similar NPs/Drugs