Natural Product: NPC228609

Natural Product ID:  NPC228609
Common Name:   Ganomycin B
IUPAC Name:   (2Z,5E)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoic acid
Synonyms:  
Molecular Formula:   C21H28O4
Standard InCHIKey:  HVLZHPCKWVKAQH-IRQOBONWSA-N
Standard InCHI:  InChI=1S/C21H28O4/c1-15(2)6-4-7-16(3)8-5-9-17(21(24)25)10-11-18-14-19(22)12-13-20(18)23/h6,8,10,12-14,22-23H,4-5,7,9,11H2,1-3H3,(H,24,25)/b16-8+,17-10-
Canonical SMILES:  C/C(=CCC/C(=C/Cc1cc(O)ccc1O)/C(=O)O)/CCC=C(C)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
NPO14984 Agelenopsis aperta Species Agelenidae Eukaryota UNPD*
NPO31039 Ganoderma colossum Species Ganodermataceae Eukaryota Vietnam PMID[19813754]
NPO6468 Ganoderma pfeifferi Species Ganodermataceae Eukaryota UNPD*
NPO12142 Solanum nodiflorum Species Solanaceae Eukaryota UNPD*
NPO13953 Gouania lupuloides Species Rhamnaceae Eukaryota UNPD*
NPO7245 Lamprometra klunzingeri Species Mariametridae Eukaryota UNPD*
NPO14696 Frullania inflata Species Frullaniaceae Eukaryota UNPD*
NPO15560 Penicillium camemberti Species Aspergillaceae Eukaryota UNPD*
NPO14563 Kalimeris shimadae Species Asteraceae Eukaryota UNPD*
NPO8999 Juniperus occidentalis Species Cupressaceae Eukaryota UNPD*
NPO11201 Barleria strigosa Species Acanthaceae Eukaryota UNPD*
NPO27951 Vigna mungo Species Fabaceae Eukaryota UNPD*
NPO27375 Sphingomonas paucimobilis Species Sphingomonadaceae Bacteria UNPD*
NPO12787 Phora hyperborea Species Phoridae Eukaryota UNPD*
NPO14438 Coussarea brevicaulis Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 20 mm 10757736
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 17 mm 10757736
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 18 mm 10757736
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 24 mm 10757736
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 15 mm 10757736
NPT729 Organism Micrococcus luteus Micrococcus luteus IZ = 26 mm 10757736
NPT19 Organism Escherichia coli Escherichia coli IZ = 5 mm 10757736
NPT172 Organism Proteus mirabilis Proteus mirabilis IZ = 15 mm 10757736
NPT1248 Organism Serratia marcescens Serratia marcescens IZ = 16 mm 10757736
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 2.5 ug/ml 10757736
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 25 ug/ml 10757736
NPT202 Individual Protein Protease Human immunodeficiency virus 1 IC50 = 1 ug/ml 19813754
NPT202 Individual Protein Protease Human immunodeficiency virus 1 Ki = 4000 nM 19813754

  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 NPC228609 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
0.9717 High Similarity NPC197513
0.9533 High Similarity NPC114918
0.932 High Similarity NPC93831
0.9065 High Similarity NPC98392
0.8981 High Similarity NPC471535
0.8981 High Similarity NPC208229
0.8972 High Similarity NPC279887
0.8972 High Similarity NPC68260
0.8957 High Similarity NPC132518
0.8957 High Similarity NPC477151
0.8889 High Similarity NPC26013
0.8889 High Similarity NPC282855
0.8879 High Similarity NPC477152
0.8879 High Similarity NPC477153
0.8835 High Similarity NPC152097
0.8761 High Similarity NPC269414
0.8761 High Similarity NPC160199
0.875 High Similarity NPC260775
0.8739 High Similarity NPC296144
0.8739 High Similarity NPC28784
0.8667 High Similarity NPC130756
0.8667 High Similarity NPC12931
0.8667 High Similarity NPC248396
0.8667 High Similarity NPC70677
0.8667 High Similarity NPC48730
0.8667 High Similarity NPC129373
0.8661 High Similarity NPC473931
0.8661 High Similarity NPC474050
0.8661 High Similarity NPC41851
0.8661 High Similarity NPC474114
0.8654 High Similarity NPC475078
0.8641 High Similarity NPC246679
0.8641 High Similarity NPC257182
0.8621 High Similarity NPC165197
0.8584 High Similarity NPC240163
0.8547 High Similarity NPC25168
0.8519 High Similarity NPC243677
0.8519 High Similarity NPC303141
0.8509 High Similarity NPC312800
0.8505 High Similarity NPC108497
0.8505 High Similarity NPC13426
0.8475 Intermediate Similarity NPC297193
0.8447 Intermediate Similarity NPC29373
0.844 Intermediate Similarity NPC187913
0.843 Intermediate Similarity NPC95034
0.843 Intermediate Similarity NPC142087
0.8411 Intermediate Similarity NPC80800
0.8411 Intermediate Similarity NPC477685
0.8411 Intermediate Similarity NPC94343
0.8407 Intermediate Similarity NPC190212
0.8364 Intermediate Similarity NPC34715
0.8362 Intermediate Similarity NPC206205
0.8349 Intermediate Similarity NPC47284
0.8333 Intermediate Similarity NPC117794
0.8333 Intermediate Similarity NPC81808
0.8333 Intermediate Similarity NPC470202
0.8319 Intermediate Similarity NPC327070
0.8319 Intermediate Similarity NPC325301
0.8319 Intermediate Similarity NPC26615
0.8305 Intermediate Similarity NPC179092
0.8305 Intermediate Similarity NPC292665
0.8305 Intermediate Similarity NPC178395
0.8305 Intermediate Similarity NPC222876
0.8305 Intermediate Similarity NPC115188
0.8305 Intermediate Similarity NPC26433
0.8305 Intermediate Similarity NPC159760
0.8305 Intermediate Similarity NPC272454
0.8305 Intermediate Similarity NPC301987
0.8305 Intermediate Similarity NPC244994
0.8305 Intermediate Similarity NPC35856
0.8291 Intermediate Similarity NPC476020
0.8291 Intermediate Similarity NPC184579
0.8291 Intermediate Similarity NPC233165
0.8288 Intermediate Similarity NPC470039
0.8276 Intermediate Similarity NPC125252
0.8273 Intermediate Similarity NPC155072
0.8273 Intermediate Similarity NPC317592
0.8273 Intermediate Similarity NPC53740
0.8264 Intermediate Similarity NPC472592
0.825 Intermediate Similarity NPC275145
0.8226 Intermediate Similarity NPC163169
0.8226 Intermediate Similarity NPC123
0.8224 Intermediate Similarity NPC245561
0.8214 Intermediate Similarity NPC471954
0.8214 Intermediate Similarity NPC75272
0.8205 Intermediate Similarity NPC474890
0.8205 Intermediate Similarity NPC161943
0.8205 Intermediate Similarity NPC273282
0.8198 Intermediate Similarity NPC320439
0.8198 Intermediate Similarity NPC474352
0.8197 Intermediate Similarity NPC306765
0.819 Intermediate Similarity NPC32977
0.819 Intermediate Similarity NPC81010
0.819 Intermediate Similarity NPC477453
0.8167 Intermediate Similarity NPC46634
0.8167 Intermediate Similarity NPC49441
0.8165 Intermediate Similarity NPC269212
0.8151 Intermediate Similarity NPC164852
0.8148 Intermediate Similarity NPC52472
0.8148 Intermediate Similarity NPC130103
0.8142 Intermediate Similarity NPC222084
0.8136 Intermediate Similarity NPC160235
0.813 Intermediate Similarity NPC209959
0.813 Intermediate Similarity NPC71525
0.8125 Intermediate Similarity NPC31274
0.8125 Intermediate Similarity NPC224584
0.812 Intermediate Similarity NPC278652
0.8115 Intermediate Similarity NPC240744
0.8115 Intermediate Similarity NPC167055
0.8115 Intermediate Similarity NPC287473
0.8108 Intermediate Similarity NPC29989
0.8108 Intermediate Similarity NPC70843
0.8108 Intermediate Similarity NPC1075
0.8108 Intermediate Similarity NPC1786
0.8108 Intermediate Similarity NPC95178
0.8108 Intermediate Similarity NPC69332
0.8108 Intermediate Similarity NPC294902
0.8108 Intermediate Similarity NPC469913
0.8103 Intermediate Similarity NPC161304
0.8095 Intermediate Similarity NPC94139
0.8095 Intermediate Similarity NPC317601
0.8095 Intermediate Similarity NPC147284
0.8095 Intermediate Similarity NPC329427
0.8095 Intermediate Similarity NPC162314
0.8095 Intermediate Similarity NPC3358
0.8095 Intermediate Similarity NPC210497
0.8095 Intermediate Similarity NPC306884
0.8091 Intermediate Similarity NPC475580
0.8087 Intermediate Similarity NPC148969
0.8077 Intermediate Similarity NPC192
0.8073 Intermediate Similarity NPC472585
0.8073 Intermediate Similarity NPC12221
0.8067 Intermediate Similarity NPC14177
0.8058 Intermediate Similarity NPC27974
0.8053 Intermediate Similarity NPC473524
0.8053 Intermediate Similarity NPC88141
0.8051 Intermediate Similarity NPC41567
0.8051 Intermediate Similarity NPC309434
0.8051 Intermediate Similarity NPC203124
0.8049 Intermediate Similarity NPC474945
0.8049 Intermediate Similarity NPC476022
0.8049 Intermediate Similarity NPC474944
0.8037 Intermediate Similarity NPC283711
0.8036 Intermediate Similarity NPC141523
0.8036 Intermediate Similarity NPC233320
0.8034 Intermediate Similarity NPC83718
0.8034 Intermediate Similarity NPC163398
0.8034 Intermediate Similarity NPC277394
0.8034 Intermediate Similarity NPC299252
0.8034 Intermediate Similarity NPC61062
0.8033 Intermediate Similarity NPC474237
0.8033 Intermediate Similarity NPC469568
0.8019 Intermediate Similarity NPC245187
0.8018 Intermediate Similarity NPC13495
0.8017 Intermediate Similarity NPC475192
0.8017 Intermediate Similarity NPC163154
0.8017 Intermediate Similarity NPC244351
0.8 Intermediate Similarity NPC474175
0.8 Intermediate Similarity NPC471228
0.8 Intermediate Similarity NPC231150
0.8 Intermediate Similarity NPC241001
0.8 Intermediate Similarity NPC68269
0.8 Intermediate Similarity NPC233827
0.8 Intermediate Similarity NPC235762
0.8 Intermediate Similarity NPC17693
0.7983 Intermediate Similarity NPC232178
0.7982 Intermediate Similarity NPC183700
0.7982 Intermediate Similarity NPC174911
0.7982 Intermediate Similarity NPC72729
0.7982 Intermediate Similarity NPC253746
0.7982 Intermediate Similarity NPC222905
0.7966 Intermediate Similarity NPC325295
0.7966 Intermediate Similarity NPC240664
0.7966 Intermediate Similarity NPC76308
0.7965 Intermediate Similarity NPC100551
0.7963 Intermediate Similarity NPC260000
0.7963 Intermediate Similarity NPC6597
0.7963 Intermediate Similarity NPC88420
0.7963 Intermediate Similarity NPC474073
0.7963 Intermediate Similarity NPC79241
0.7961 Intermediate Similarity NPC407
0.7961 Intermediate Similarity NPC307235
0.7937 Intermediate Similarity NPC31539
0.7934 Intermediate Similarity NPC476165
0.7934 Intermediate Similarity NPC198336
0.7931 Intermediate Similarity NPC242136
0.7931 Intermediate Similarity NPC211421
0.7931 Intermediate Similarity NPC98543
0.7928 Intermediate Similarity NPC130817
0.7928 Intermediate Similarity NPC475225
0.7928 Intermediate Similarity NPC272029
0.7925 Intermediate Similarity NPC181709
0.792 Intermediate Similarity NPC476024
0.7917 Intermediate Similarity NPC328485
0.7917 Intermediate Similarity NPC478121
0.7917 Intermediate Similarity NPC260837
0.7913 Intermediate Similarity NPC470770
0.7913 Intermediate Similarity NPC226250
0.7913 Intermediate Similarity NPC77772
0.7913 Intermediate Similarity NPC54373

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC228609 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
0.8318 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.8151 Intermediate Similarity NPD3496 Discontinued
0.8113 Intermediate Similarity NPD844 Approved
0.7965 Intermediate Similarity NPD74 Approved
0.7965 Intermediate Similarity NPD9266 Approved
0.7923 Intermediate Similarity NPD2935 Discontinued
0.7881 Intermediate Similarity NPD9493 Approved
0.7876 Intermediate Similarity NPD9267 Approved
0.7876 Intermediate Similarity NPD9264 Approved
0.7876 Intermediate Similarity NPD9263 Approved
0.787 Intermediate Similarity NPD288 Approved
0.7731 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD7635 Approved
0.7685 Intermediate Similarity NPD2934 Approved
0.7685 Intermediate Similarity NPD2933 Approved
0.7647 Intermediate Similarity NPD6671 Approved
0.7623 Intermediate Similarity NPD4626 Approved
0.7615 Intermediate Similarity NPD2859 Approved
0.7615 Intermediate Similarity NPD2860 Approved
0.7603 Intermediate Similarity NPD1759 Phase 1
0.7593 Intermediate Similarity NPD845 Approved
0.7568 Intermediate Similarity NPD3020 Approved
0.7563 Intermediate Similarity NPD9281 Approved
0.7523 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7522 Intermediate Similarity NPD9261 Approved
0.7521 Intermediate Similarity NPD1758 Phase 1
0.748 Intermediate Similarity NPD1778 Approved
0.7459 Intermediate Similarity NPD9545 Approved
0.744 Intermediate Similarity NPD9717 Approved
0.7436 Intermediate Similarity NPD3021 Approved
0.7436 Intermediate Similarity NPD4750 Phase 3
0.7436 Intermediate Similarity NPD3022 Approved
0.7434 Intermediate Similarity NPD940 Approved
0.7434 Intermediate Similarity NPD846 Approved
0.7402 Intermediate Similarity NPD1470 Approved
0.7402 Intermediate Similarity NPD1164 Approved
0.7402 Intermediate Similarity NPD2797 Approved
0.7398 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD1535 Discovery
0.736 Intermediate Similarity NPD1201 Approved
0.7355 Intermediate Similarity NPD256 Approved
0.7355 Intermediate Similarity NPD255 Approved
0.735 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD447 Suspended
0.7339 Intermediate Similarity NPD2932 Approved
0.7339 Intermediate Similarity NPD3019 Approved
0.7333 Intermediate Similarity NPD111 Approved
0.7315 Intermediate Similarity NPD9258 Approved
0.7315 Intermediate Similarity NPD9256 Approved
0.7302 Intermediate Similarity NPD1481 Phase 2
0.7302 Intermediate Similarity NPD9269 Phase 2
0.7297 Intermediate Similarity NPD1809 Phase 2
0.7287 Intermediate Similarity NPD5736 Approved
0.7266 Intermediate Similarity NPD1203 Approved
0.7259 Intermediate Similarity NPD5404 Approved
0.7259 Intermediate Similarity NPD5406 Approved
0.7259 Intermediate Similarity NPD5405 Approved
0.7259 Intermediate Similarity NPD5408 Approved
0.7258 Intermediate Similarity NPD9268 Approved
0.7258 Intermediate Similarity NPD5691 Approved
0.7252 Intermediate Similarity NPD3268 Approved
0.7252 Intermediate Similarity NPD411 Approved
0.7244 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD6647 Phase 2
0.7209 Intermediate Similarity NPD258 Approved
0.7209 Intermediate Similarity NPD257 Approved
0.7188 Intermediate Similarity NPD3225 Approved
0.7179 Intermediate Similarity NPD1444 Approved
0.7179 Intermediate Similarity NPD3134 Approved
0.7179 Intermediate Similarity NPD1445 Approved
0.7174 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD9568 Approved
0.7143 Intermediate Similarity NPD3847 Discontinued
0.7121 Intermediate Similarity NPD3764 Approved
0.7121 Intermediate Similarity NPD2313 Discontinued
0.712 Intermediate Similarity NPD5585 Approved
0.7119 Intermediate Similarity NPD2342 Discontinued
0.7119 Intermediate Similarity NPD1358 Approved
0.7117 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD2066 Phase 3
0.7094 Intermediate Similarity NPD9697 Approved
0.709 Intermediate Similarity NPD230 Phase 1
0.7087 Intermediate Similarity NPD1611 Approved
0.7087 Intermediate Similarity NPD422 Phase 1
0.708 Intermediate Similarity NPD2346 Discontinued
0.7077 Intermediate Similarity NPD2798 Approved
0.7068 Intermediate Similarity NPD6663 Approved
0.7059 Intermediate Similarity NPD2799 Discontinued
0.7059 Intermediate Similarity NPD4308 Phase 3
0.705 Intermediate Similarity NPD8166 Discontinued
0.7043 Intermediate Similarity NPD1242 Phase 1
0.7037 Intermediate Similarity NPD6653 Approved
0.7031 Intermediate Similarity NPD1608 Approved
0.7023 Intermediate Similarity NPD9569 Approved
0.7018 Intermediate Similarity NPD9495 Approved
0.7015 Intermediate Similarity NPD825 Approved
0.7015 Intermediate Similarity NPD943 Approved
0.7015 Intermediate Similarity NPD4060 Phase 1
0.7015 Intermediate Similarity NPD826 Approved
0.7 Intermediate Similarity NPD1792 Phase 2
0.7 Intermediate Similarity NPD6190 Approved
0.6992 Remote Similarity NPD497 Approved
0.6992 Remote Similarity NPD5951 Approved
0.699 Remote Similarity NPD9088 Approved
0.6981 Remote Similarity NPD9491 Approved
0.6977 Remote Similarity NPD1755 Approved
0.697 Remote Similarity NPD6832 Phase 2
0.6964 Remote Similarity NPD1202 Approved
0.6963 Remote Similarity NPD1899 Clinical (unspecified phase)
0.696 Remote Similarity NPD5536 Phase 2
0.6957 Remote Similarity NPD7266 Discontinued
0.6952 Remote Similarity NPD226 Approved
0.6944 Remote Similarity NPD9259 Approved
0.6944 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6944 Remote Similarity NPD9257 Approved
0.694 Remote Similarity NPD259 Phase 1
0.694 Remote Similarity NPD6233 Phase 2
0.694 Remote Similarity NPD520 Approved
0.6934 Remote Similarity NPD651 Clinical (unspecified phase)
0.6934 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1283 Approved
0.6923 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1930 Approved
0.6923 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1929 Approved
0.6917 Remote Similarity NPD2182 Approved
0.6917 Remote Similarity NPD7095 Approved
0.6917 Remote Similarity NPD3136 Phase 2
0.6911 Remote Similarity NPD498 Approved
0.6911 Remote Similarity NPD495 Approved
0.6911 Remote Similarity NPD496 Approved
0.6909 Remote Similarity NPD800 Approved
0.6906 Remote Similarity NPD970 Clinical (unspecified phase)
0.6905 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3028 Approved
0.6891 Remote Similarity NPD968 Approved
0.6885 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6885 Remote Similarity NPD228 Approved
0.6884 Remote Similarity NPD6032 Approved
0.6875 Remote Similarity NPD3026 Approved
0.6875 Remote Similarity NPD3023 Approved
0.687 Remote Similarity NPD3266 Approved
0.687 Remote Similarity NPD3267 Approved
0.687 Remote Similarity NPD9273 Approved
0.6866 Remote Similarity NPD6798 Discontinued
0.6866 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5909 Discontinued
0.6864 Remote Similarity NPD164 Approved
0.6857 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6855 Remote Similarity NPD690 Clinical (unspecified phase)
0.6855 Remote Similarity NPD9618 Approved
0.6855 Remote Similarity NPD9614 Approved
0.6855 Remote Similarity NPD2629 Approved
0.685 Remote Similarity NPD3024 Approved
0.685 Remote Similarity NPD3025 Approved
0.6847 Remote Similarity NPD1090 Approved
0.6847 Remote Similarity NPD1086 Approved
0.6847 Remote Similarity NPD1089 Approved
0.6846 Remote Similarity NPD4359 Approved
0.6846 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6838 Remote Similarity NPD275 Approved
0.6838 Remote Similarity NPD274 Approved
0.6838 Remote Similarity NPD6355 Discontinued
0.6838 Remote Similarity NPD555 Phase 2
0.6831 Remote Similarity NPD3300 Phase 2
0.6829 Remote Similarity NPD5535 Approved
0.6829 Remote Similarity NPD5277 Phase 2
0.6818 Remote Similarity NPD1019 Discontinued
0.6812 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6809 Remote Similarity NPD3750 Approved
0.6809 Remote Similarity NPD7003 Approved
0.6797 Remote Similarity NPD17 Approved
0.6794 Remote Similarity NPD6696 Suspended
0.6791 Remote Similarity NPD9536 Phase 1
0.6791 Remote Similarity NPD9537 Phase 1
0.6781 Remote Similarity NPD3226 Approved
0.678 Remote Similarity NPD9500 Approved
0.6774 Remote Similarity NPD2228 Approved
0.6774 Remote Similarity NPD2234 Approved
0.6774 Remote Similarity NPD1241 Discontinued
0.6774 Remote Similarity NPD2229 Approved
0.6774 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6772 Remote Similarity NPD3091 Approved
0.6772 Remote Similarity NPD1894 Discontinued
0.6767 Remote Similarity NPD9494 Approved
0.6767 Remote Similarity NPD4208 Discontinued
0.6767 Remote Similarity NPD2861 Phase 2
0.6767 Remote Similarity NPD2237 Approved
0.6765 Remote Similarity NPD4307 Phase 2
0.6765 Remote Similarity NPD6346 Approved
0.6763 Remote Similarity NPD1551 Phase 2
0.6757 Remote Similarity NPD5346 Phase 2
0.6757 Remote Similarity NPD5347 Phase 2
0.6754 Remote Similarity NPD1693 Approved
0.6742 Remote Similarity NPD6362 Approved
0.6727 Remote Similarity NPD4793 Discontinued
0.6726 Remote Similarity NPD1088 Approved
0.6723 Remote Similarity NPD1237 Approved

Structure

External Identifiers

PubChem CID   10246918
ChEMBL   CHEMBL496060
ZINC  

Physicochemical Properties

Molecular Weight:  344.20
ALogP:  2.5394
MLogP:  3.33
XLogP:  4.529
# Rotatable Bonds:  15
Polar Surface Area:  77.76
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  25

Download Data

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