Natural Product: NPC477213

Natural Product ID:  NPC477213
Common Name:   (10E,14E)-4,12-dihydroxy-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethylhexadeca-2,10,14-trien-5-one
IUPAC Name:   (10E,14E)-4,12-dihydroxy-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethylhexadeca-2,10,14-trien-5-one
Synonyms:  
Molecular Formula:   C28H42O5
Standard InCHIKey:  DDLNEFCPSLEGBF-XNXVHQMYSA-N
Standard InCHI:  InChI=1S/C28H42O5/c1-18(2)13-26(30)28(32)21(5)10-8-9-19(3)14-24(29)15-20(4)11-12-23-17-25(33-7)16-22(6)27(23)31/h11,13-14,16-17,21,24,26,29-31H,8-10,12,15H2,1-7H3/b19-14+,20-11+
Canonical SMILES:  COc1cc(C/C=C(/CC(/C=C(/CCCC(C(=O)C(C=C(C)C)O)C)C)O)C)c(c(c1)C)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
NPO19868 Halidrys siliquosa Species Sargassaceae Eukaryota Saint-Guénolé, Brittany, France (47°47' N, 4°23' W) 2004-MAY PMID[18529079]
NPO19868 Halidrys siliquosa Species Sargassaceae Eukaryota blades and thalli Saint-Guénolé, Brittany, France; (47°47' N, 4°23' W) 2004-MAY PMID[18529079]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6038 Organism Cobetia marina Cobetia marina MIC = 1 ug/ml 18529079
NPT6039 Organism Marinobacterium stanieri Marinobacterium stanieri MIC = 1 ug/ml 18529079
NPT6040 Organism Vibrio fischeri Aliivibrio fischeri MIC = 0.5 ug/ml 18529079
NPT6041 Organism Pseudoalteromonas haloplanktis Pseudoalteromonas haloplanktis MIC = 1 ug/ml 18529079
NPT2540 Organism Balanus amphitrite Balanus amphitrite EC50 = 5 ug/ml 18529079
NPT2540 Organism Balanus amphitrite Balanus amphitrite LC50 = 10 ug/ml 18529079

  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 NPC477213 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
0.9833 High Similarity NPC477212
0.9833 High Similarity NPC319422
0.9833 High Similarity NPC477214
0.9833 High Similarity NPC477211
0.9516 High Similarity NPC474143
0.9516 High Similarity NPC474246
0.928 High Similarity NPC475880
0.9098 High Similarity NPC49441
0.9048 High Similarity NPC59654
0.8992 High Similarity NPC477210
0.8898 High Similarity NPC271832
0.8722 High Similarity NPC476025
0.8722 High Similarity NPC475028
0.8672 High Similarity NPC476024
0.8667 High Similarity NPC473931
0.8667 High Similarity NPC474050
0.8667 High Similarity NPC474114
0.8615 High Similarity NPC258073
0.8605 High Similarity NPC206028
0.8593 High Similarity NPC475044
0.8593 High Similarity NPC475063
0.8583 High Similarity NPC296144
0.8583 High Similarity NPC28784
0.855 High Similarity NPC251549
0.8548 High Similarity NPC474131
0.8548 High Similarity NPC232295
0.8527 High Similarity NPC201419
0.8516 High Similarity NPC474944
0.8504 High Similarity NPC474237
0.8496 Intermediate Similarity NPC475011
0.8492 Intermediate Similarity NPC204535
0.8492 Intermediate Similarity NPC46586
0.8468 Intermediate Similarity NPC32152
0.8468 Intermediate Similarity NPC476020
0.8444 Intermediate Similarity NPC474943
0.8444 Intermediate Similarity NPC475005
0.8433 Intermediate Similarity NPC64157
0.8433 Intermediate Similarity NPC278832
0.8425 Intermediate Similarity NPC474130
0.8397 Intermediate Similarity NPC196621
0.8397 Intermediate Similarity NPC470725
0.8397 Intermediate Similarity NPC123
0.8397 Intermediate Similarity NPC163169
0.8382 Intermediate Similarity NPC475045
0.837 Intermediate Similarity NPC98804
0.8359 Intermediate Similarity NPC276962
0.8359 Intermediate Similarity NPC190086
0.8347 Intermediate Similarity NPC98372
0.8346 Intermediate Similarity NPC470871
0.8333 Intermediate Similarity NPC474154
0.8333 Intermediate Similarity NPC208229
0.8306 Intermediate Similarity NPC238176
0.8306 Intermediate Similarity NPC187993
0.8284 Intermediate Similarity NPC27394
0.8271 Intermediate Similarity NPC329427
0.8271 Intermediate Similarity NPC317601
0.8271 Intermediate Similarity NPC312560
0.825 Intermediate Similarity NPC26013
0.825 Intermediate Similarity NPC282855
0.8244 Intermediate Similarity NPC278308
0.8235 Intermediate Similarity NPC233320
0.8235 Intermediate Similarity NPC470722
0.8235 Intermediate Similarity NPC470721
0.8235 Intermediate Similarity NPC6100
0.8235 Intermediate Similarity NPC156888
0.8231 Intermediate Similarity NPC476022
0.8231 Intermediate Similarity NPC474945
0.8226 Intermediate Similarity NPC69539
0.8222 Intermediate Similarity NPC476018
0.8222 Intermediate Similarity NPC475029
0.8217 Intermediate Similarity NPC147896
0.8214 Intermediate Similarity NPC477409
0.8189 Intermediate Similarity NPC474175
0.8168 Intermediate Similarity NPC293641
0.8168 Intermediate Similarity NPC12022
0.8168 Intermediate Similarity NPC20287
0.8168 Intermediate Similarity NPC142087
0.8168 Intermediate Similarity NPC20404
0.8168 Intermediate Similarity NPC95034
0.8167 Intermediate Similarity NPC279887
0.8167 Intermediate Similarity NPC68260
0.814 Intermediate Similarity NPC244876
0.8134 Intermediate Similarity NPC118253
0.812 Intermediate Similarity NPC195292
0.8116 Intermediate Similarity NPC477408
0.8115 Intermediate Similarity NPC275627
0.811 Intermediate Similarity NPC473136
0.8088 Intermediate Similarity NPC281513
0.8088 Intermediate Similarity NPC22222
0.8071 Intermediate Similarity NPC329493
0.8065 Intermediate Similarity NPC114918
0.8062 Intermediate Similarity NPC302211
0.8058 Intermediate Similarity NPC477535
0.8029 Intermediate Similarity NPC474610
0.8029 Intermediate Similarity NPC21797
0.8029 Intermediate Similarity NPC194847
0.8028 Intermediate Similarity NPC474799
0.8017 Intermediate Similarity NPC241549
0.8015 Intermediate Similarity NPC265793
0.8 Intermediate Similarity NPC163083
0.8 Intermediate Similarity NPC473718
0.8 Intermediate Similarity NPC470160
0.7986 Intermediate Similarity NPC322021
0.7986 Intermediate Similarity NPC76312
0.7985 Intermediate Similarity NPC311419
0.7985 Intermediate Similarity NPC215941
0.7985 Intermediate Similarity NPC253488
0.7985 Intermediate Similarity NPC142985
0.7985 Intermediate Similarity NPC123196
0.7985 Intermediate Similarity NPC137427
0.7985 Intermediate Similarity NPC319282
0.7985 Intermediate Similarity NPC65935
0.7985 Intermediate Similarity NPC275724
0.7985 Intermediate Similarity NPC244246
0.7984 Intermediate Similarity NPC48623
0.7984 Intermediate Similarity NPC201777
0.7984 Intermediate Similarity NPC31936
0.7984 Intermediate Similarity NPC168707
0.7958 Intermediate Similarity NPC474982
0.7956 Intermediate Similarity NPC152209
0.7953 Intermediate Similarity NPC283616
0.7939 Intermediate Similarity NPC4012
0.7939 Intermediate Similarity NPC474803
0.7929 Intermediate Similarity NPC477537
0.7926 Intermediate Similarity NPC469480
0.7923 Intermediate Similarity NPC132518
0.7923 Intermediate Similarity NPC477151
0.792 Intermediate Similarity NPC197513
0.7914 Intermediate Similarity NPC98395
0.7907 Intermediate Similarity NPC45663
0.7907 Intermediate Similarity NPC129176
0.7899 Intermediate Similarity NPC84699
0.7895 Intermediate Similarity NPC470841
0.7891 Intermediate Similarity NPC182240
0.7887 Intermediate Similarity NPC474599
0.7887 Intermediate Similarity NPC316691
0.7887 Intermediate Similarity NPC148545
0.7879 Intermediate Similarity NPC257589
0.7879 Intermediate Similarity NPC53305
0.7868 Intermediate Similarity NPC289624
0.7868 Intermediate Similarity NPC27578
0.7868 Intermediate Similarity NPC85595
0.7868 Intermediate Similarity NPC239302
0.7863 Intermediate Similarity NPC261992
0.7863 Intermediate Similarity NPC471187
0.7857 Intermediate Similarity NPC79372
0.7857 Intermediate Similarity NPC475012
0.7852 Intermediate Similarity NPC172673
0.7851 Intermediate Similarity NPC30416
0.7851 Intermediate Similarity NPC469913
0.7846 Intermediate Similarity NPC476165
0.7842 Intermediate Similarity NPC309452
0.784 Intermediate Similarity NPC190212
0.7832 Intermediate Similarity NPC274085
0.7832 Intermediate Similarity NPC245482
0.7832 Intermediate Similarity NPC89664
0.7832 Intermediate Similarity NPC471600
0.7832 Intermediate Similarity NPC301751
0.7826 Intermediate Similarity NPC22644
0.782 Intermediate Similarity NPC92207
0.782 Intermediate Similarity NPC127937
0.7803 Intermediate Similarity NPC75432
0.7803 Intermediate Similarity NPC231767
0.7803 Intermediate Similarity NPC181334
0.7803 Intermediate Similarity NPC273686
0.7803 Intermediate Similarity NPC312404
0.7795 Intermediate Similarity NPC19290
0.7794 Intermediate Similarity NPC473982
0.7787 Intermediate Similarity NPC474352
0.7787 Intermediate Similarity NPC228737
0.7786 Intermediate Similarity NPC475104
0.7786 Intermediate Similarity NPC188997
0.7786 Intermediate Similarity NPC265335
0.7778 Intermediate Similarity NPC114144
0.7778 Intermediate Similarity NPC158477
0.7778 Intermediate Similarity NPC470837
0.7778 Intermediate Similarity NPC939
0.777 Intermediate Similarity NPC471670
0.7769 Intermediate Similarity NPC473875
0.7769 Intermediate Similarity NPC96423
0.7761 Intermediate Similarity NPC71525
0.776 Intermediate Similarity NPC228452
0.776 Intermediate Similarity NPC26615
0.776 Intermediate Similarity NPC474920
0.7755 Intermediate Similarity NPC37348
0.7754 Intermediate Similarity NPC471110
0.7752 Intermediate Similarity NPC473767
0.7752 Intermediate Similarity NPC51341
0.7752 Intermediate Similarity NPC299406
0.775 Intermediate Similarity NPC108497
0.7746 Intermediate Similarity NPC124365
0.7744 Intermediate Similarity NPC470726
0.7744 Intermediate Similarity NPC280767
0.7744 Intermediate Similarity NPC320847
0.7744 Intermediate Similarity NPC127975
0.7737 Intermediate Similarity NPC165612
0.7731 Intermediate Similarity NPC248396
0.7731 Intermediate Similarity NPC48730
0.7731 Intermediate Similarity NPC129373
0.773 Intermediate Similarity NPC470855

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477213 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
0.8 Intermediate Similarity NPD6671 Approved
0.7971 Intermediate Similarity NPD2935 Discontinued
0.781 Intermediate Similarity NPD6355 Discontinued
0.7769 Intermediate Similarity NPD3496 Discontinued
0.7737 Intermediate Similarity NPD4060 Phase 1
0.766 Intermediate Similarity NPD6004 Phase 3
0.766 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD6002 Phase 3
0.766 Intermediate Similarity NPD6005 Phase 3
0.766 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD1651 Approved
0.7594 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD6798 Discontinued
0.7557 Intermediate Similarity NPD4626 Approved
0.7537 Intermediate Similarity NPD6696 Suspended
0.7537 Intermediate Similarity NPD1283 Approved
0.7536 Intermediate Similarity NPD6233 Phase 2
0.7519 Intermediate Similarity NPD7340 Approved
0.75 Intermediate Similarity NPD6653 Approved
0.75 Intermediate Similarity NPD2861 Phase 2
0.7465 Intermediate Similarity NPD6099 Approved
0.7465 Intermediate Similarity NPD6100 Approved
0.7464 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD1778 Approved
0.7415 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD5763 Approved
0.7413 Intermediate Similarity NPD5762 Approved
0.7379 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD2979 Phase 3
0.7353 Intermediate Similarity NPD2797 Approved
0.7348 Intermediate Similarity NPD5691 Approved
0.7344 Intermediate Similarity NPD7635 Approved
0.7338 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD7985 Registered
0.7338 Intermediate Similarity NPD3268 Approved
0.7313 Intermediate Similarity NPD1535 Discovery
0.7313 Intermediate Similarity NPD1281 Approved
0.7299 Intermediate Similarity NPD2798 Approved
0.7299 Intermediate Similarity NPD5647 Approved
0.7295 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD1398 Phase 1
0.728 Intermediate Similarity NPD968 Approved
0.7273 Intermediate Similarity NPD2799 Discontinued
0.7259 Intermediate Similarity NPD1608 Approved
0.7259 Intermediate Similarity NPD1481 Phase 2
0.7255 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2424 Discontinued
0.7226 Intermediate Similarity NPD6362 Approved
0.7222 Intermediate Similarity NPD290 Approved
0.7219 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD5585 Approved
0.7214 Intermediate Similarity NPD2313 Discontinued
0.7214 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD7843 Approved
0.7206 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD596 Approved
0.7194 Intermediate Similarity NPD600 Approved
0.7192 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6844 Discontinued
0.7185 Intermediate Similarity NPD1611 Approved
0.7181 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7157 Approved
0.7172 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD2346 Discontinued
0.7171 Intermediate Similarity NPD4380 Phase 2
0.7165 Intermediate Similarity NPD2684 Approved
0.7164 Intermediate Similarity NPD3019 Approved
0.7164 Intermediate Similarity NPD2932 Approved
0.7163 Intermediate Similarity NPD4062 Phase 3
0.7163 Intermediate Similarity NPD840 Approved
0.7163 Intermediate Similarity NPD839 Approved
0.7154 Intermediate Similarity NPD1241 Discontinued
0.7153 Intermediate Similarity NPD7033 Discontinued
0.7152 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3027 Phase 3
0.7143 Intermediate Similarity NPD7095 Approved
0.7132 Intermediate Similarity NPD2230 Approved
0.7132 Intermediate Similarity NPD2231 Phase 2
0.7132 Intermediate Similarity NPD2235 Phase 2
0.7132 Intermediate Similarity NPD228 Approved
0.7132 Intermediate Similarity NPD2232 Approved
0.7132 Intermediate Similarity NPD2233 Approved
0.7122 Intermediate Similarity NPD2237 Approved
0.7115 Intermediate Similarity NPD7075 Discontinued
0.7111 Intermediate Similarity NPD3847 Discontinued
0.7107 Intermediate Similarity NPD844 Approved
0.7105 Intermediate Similarity NPD7458 Discontinued
0.7103 Intermediate Similarity NPD4477 Approved
0.7103 Intermediate Similarity NPD6032 Approved
0.7103 Intermediate Similarity NPD2438 Suspended
0.7103 Intermediate Similarity NPD4476 Approved
0.7099 Intermediate Similarity NPD2629 Approved
0.7097 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD5402 Approved
0.7092 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7097 Phase 1
0.7083 Intermediate Similarity NPD845 Approved
0.708 Intermediate Similarity NPD4749 Approved
0.7078 Intermediate Similarity NPD37 Approved
0.7077 Intermediate Similarity NPD1138 Approved
0.7068 Intermediate Similarity NPD7644 Approved
0.7067 Intermediate Similarity NPD2532 Approved
0.7067 Intermediate Similarity NPD2533 Approved
0.7067 Intermediate Similarity NPD2534 Approved
0.7059 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD288 Approved
0.7042 Intermediate Similarity NPD6663 Approved
0.7042 Intermediate Similarity NPD8032 Phase 2
0.7037 Intermediate Similarity NPD17 Approved
0.7034 Intermediate Similarity NPD1510 Phase 2
0.7032 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4110 Phase 3
0.7027 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD7003 Approved
0.7027 Intermediate Similarity NPD7982 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD5283 Phase 1
0.702 Intermediate Similarity NPD6090 Discontinued
0.7015 Intermediate Similarity NPD1894 Discontinued
0.7014 Intermediate Similarity NPD6651 Approved
0.7013 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD9717 Approved
0.7 Intermediate Similarity NPD1137 Approved
0.7 Intermediate Similarity NPD1139 Approved
0.7 Intermediate Similarity NPD9494 Approved
0.7 Intermediate Similarity NPD5736 Approved
0.6993 Remote Similarity NPD1240 Approved
0.6993 Remote Similarity NPD3620 Phase 2
0.6993 Remote Similarity NPD2238 Phase 2
0.6993 Remote Similarity NPD4140 Approved
0.6993 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6992 Remote Similarity NPD9493 Approved
0.6986 Remote Similarity NPD2531 Phase 2
0.6978 Remote Similarity NPD3266 Approved
0.6978 Remote Similarity NPD3267 Approved
0.6968 Remote Similarity NPD1934 Approved
0.6963 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4359 Approved
0.6957 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6166 Phase 2
0.695 Remote Similarity NPD4908 Phase 1
0.695 Remote Similarity NPD6832 Phase 2
0.6944 Remote Similarity NPD447 Suspended
0.6943 Remote Similarity NPD4967 Phase 2
0.6943 Remote Similarity NPD4966 Approved
0.6943 Remote Similarity NPD4965 Approved
0.694 Remote Similarity NPD5536 Phase 2
0.6939 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6929 Remote Similarity NPD3691 Phase 2
0.6929 Remote Similarity NPD3690 Phase 2
0.6929 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6929 Remote Similarity NPD6085 Phase 2
0.6923 Remote Similarity NPD2801 Approved
0.6923 Remote Similarity NPD7819 Suspended
0.6917 Remote Similarity NPD6387 Discontinued
0.6913 Remote Similarity NPD7976 Clinical (unspecified phase)
0.6913 Remote Similarity NPD4628 Phase 3
0.6913 Remote Similarity NPD8166 Discontinued
0.6908 Remote Similarity NPD2675 Approved
0.6908 Remote Similarity NPD6273 Approved
0.6908 Remote Similarity NPD2676 Approved
0.6906 Remote Similarity NPD8651 Approved
0.6906 Remote Similarity NPD1876 Approved
0.6901 Remote Similarity NPD4625 Phase 3
0.6897 Remote Similarity NPD1607 Approved
0.6894 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6892 Remote Similarity NPD1549 Phase 2
0.6892 Remote Similarity NPD5958 Discontinued
0.6892 Remote Similarity NPD4534 Discontinued
0.6891 Remote Similarity NPD9295 Approved
0.6887 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7041 Phase 2
0.6884 Remote Similarity NPD3972 Approved
0.6883 Remote Similarity NPD3226 Approved
0.6875 Remote Similarity NPD2203 Discontinued
0.6875 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3134 Approved
0.6875 Remote Similarity NPD6959 Discontinued
0.6875 Remote Similarity NPD1613 Approved
0.687 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6859 Remote Similarity NPD6801 Discontinued
0.6857 Remote Similarity NPD1203 Approved
0.6855 Remote Similarity NPD6234 Discontinued
0.6853 Remote Similarity NPD411 Approved
0.6846 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6846 Remote Similarity NPD4750 Phase 3
0.6842 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1357 Approved
0.6835 Remote Similarity NPD3882 Suspended
0.6835 Remote Similarity NPD5327 Phase 3
0.6835 Remote Similarity NPD3685 Discontinued
0.6831 Remote Similarity NPD2614 Approved
0.6829 Remote Similarity NPD1809 Phase 2

Structure

External Identifiers

PubChem CID   21724286
ChEMBL   CHEMBL459456
ZINC  

Physicochemical Properties

Molecular Weight:  458.30
ALogP:  2.831
MLogP:  3.99
XLogP:  3.858
# Rotatable Bonds:  23
Polar Surface Area:  86.99
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  33

Download Data

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