Natural Product: NPC49946

Natural Product ID:  NPC49946
Common Name:   3-Anhydro-6-Epi-Ophiobolin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H34O3
Standard InCHIKey:  MDYSLOGZXCWLSL-MUKMEUIDSA-N
Standard InCHI:  InChI=1S/C25H34O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,14,17,19-20,22-23H,7-9,12-13H2,1-5H3/b18-6-/t17-,19-,20+,22+,23-,24+,25-/m0/s1
Canonical SMILES:  O=CC1=CC[C@@H]2[C@](C[C@H]3[C@H]1C(=O)C=C3C)(C)CC[C@]12O[C@H](C[C@@H]1C)C=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
NPO13275 Centaurea scabiosa Species Asteraceae Eukaryota UNPD*
NPO5119.2 Pseudomonas chlororaphis subsp. aureofaciens Subspecies Pseudomonadaceae Bacteria UNPD*
NPO8649 Drechslera gigantea Species Pleosporaceae Eukaryota PMID[16506833]
NPO385 Bipolaris oryzae Species Pleosporaceae Eukaryota PMID[23668986]
NPO5756 Amanita abrupta Species Amanitaceae Eukaryota UNPD*
NPO15684 Bipolaris maydis Species Pleosporaceae Eukaryota UNPD*
NPO2990 Solenostemon scutellarioides Species Lamiaceae Eukaryota UNPD*
NPO16542 Aloe rupestris Species Xanthorrhoeaceae Eukaryota UNPD*
NPO16867 Bursera permollis Species Burseraceae Eukaryota UNPD*
NPO15571 Iphiona pinnatisecta Species Asteraceae Eukaryota UNPD*
NPO15783 Stemona phyllantha Species Stemonaceae Eukaryota UNPD*
NPO12794 Hypericum pseudopetiolatum Species Hypericaceae Eukaryota UNPD*
NPO11651 Parsonsia heterophylla Species Apocynaceae Eukaryota UNPD*
NPO2613 Artemisia ordosica Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3070 Organism Diplotaxis erucoides Diplotaxis erucoides Activity > 3 mm 16506833
NPT3070 Organism Diplotaxis erucoides Diplotaxis erucoides Activity = 2 mm 16506833
NPT3071 Organism Setaria viridis Setaria viridis Activity = 2 mm 16506833
NPT3072 Organism Sonchus oleraceus Sonchus oleraceus Activity = 1 mm 16506833
NPT125 Organism Chenopodium album Chenopodium album Activity = 1 mm 16506833
NPT3073 Organism Phalaris canariensis Phalaris canariensis Activity = 1 mm 16506833
NPT3074 Organism Piptatherum miliaceum Piptatherum miliaceum Activity = 1 mm 16506833
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Activity = 1 mm 16506833
NPT130 Organism Digitaria sanguinalis Digitaria sanguinalis Activity = 1 mm 16506833
NPT3075 Organism Bromus sterilis Bromus sterilis Activity = 1 mm 16506833
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 23668986
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 23668986
NPT1548 Organism Pseudomonas aeruginosa PAO1 Pseudomonas aeruginosa PAO1 MIC > 100 ug/ml 23668986
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 100 ug/ml 23668986
NPT1108 Organism Mycobacterium bovis BCG Mycobacterium bovis BCG MIC > 100 ug/ml 23668986
NPT65 Cell Line HepG2 Homo sapiens IC50 = 47100 nM 23668986
NPT111 Cell Line K562 Homo sapiens IC50 = 35600 nM 23668986
NPT81 Cell Line A549 Homo sapiens GI50 = 9000 nM 26341136
NPT83 Cell Line MCF7 Homo sapiens GI50 = 10000 nM 26341136
NPT2 Others Unspecified GI50 = 8000 nM 26341136
NPT2 Others Unspecified GI50 = 18000 nM 26341136
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 = 8000 nM 26341136

  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 NPC49946 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
1.0 High Similarity NPC306168
0.8936 High Similarity NPC25639
0.8889 High Similarity NPC37816
0.883 High Similarity NPC195192
0.883 High Similarity NPC304738
0.8085 Intermediate Similarity NPC229976
0.8043 Intermediate Similarity NPC477710
0.7979 Intermediate Similarity NPC290651
0.7979 Intermediate Similarity NPC190442
0.7957 Intermediate Similarity NPC41217
0.7872 Intermediate Similarity NPC477711
0.7872 Intermediate Similarity NPC2946
0.7857 Intermediate Similarity NPC471610
0.7802 Intermediate Similarity NPC238197
0.7791 Intermediate Similarity NPC469678
0.7791 Intermediate Similarity NPC475771
0.7791 Intermediate Similarity NPC469669
0.7789 Intermediate Similarity NPC221282
0.7674 Intermediate Similarity NPC469691
0.7674 Intermediate Similarity NPC167049
0.764 Intermediate Similarity NPC469690
0.7634 Intermediate Similarity NPC261253
0.7634 Intermediate Similarity NPC470050
0.7634 Intermediate Similarity NPC474045
0.7634 Intermediate Similarity NPC470051
0.7609 Intermediate Similarity NPC475100
0.7582 Intermediate Similarity NPC20262
0.7582 Intermediate Similarity NPC256750
0.7579 Intermediate Similarity NPC170775
0.7576 Intermediate Similarity NPC151488
0.7558 Intermediate Similarity NPC92909
0.7558 Intermediate Similarity NPC107783
0.7449 Intermediate Similarity NPC90453
0.7447 Intermediate Similarity NPC107787
0.7444 Intermediate Similarity NPC469620
0.7444 Intermediate Similarity NPC301769
0.7416 Intermediate Similarity NPC53581
0.7416 Intermediate Similarity NPC103987
0.74 Intermediate Similarity NPC477949
0.7396 Intermediate Similarity NPC477215
0.7396 Intermediate Similarity NPC476388
0.7386 Intermediate Similarity NPC251435
0.7379 Intermediate Similarity NPC168575
0.7374 Intermediate Similarity NPC474490
0.7368 Intermediate Similarity NPC45957
0.7368 Intermediate Similarity NPC471657
0.7363 Intermediate Similarity NPC74673
0.7363 Intermediate Similarity NPC276356
0.7363 Intermediate Similarity NPC69271
0.7363 Intermediate Similarity NPC47747
0.7363 Intermediate Similarity NPC302426
0.734 Intermediate Similarity NPC78089
0.734 Intermediate Similarity NPC161957
0.734 Intermediate Similarity NPC33570
0.734 Intermediate Similarity NPC21471
0.7333 Intermediate Similarity NPC228911
0.7333 Intermediate Similarity NPC128276
0.732 Intermediate Similarity NPC37607
0.732 Intermediate Similarity NPC301969
0.7312 Intermediate Similarity NPC215294
0.7312 Intermediate Similarity NPC470046
0.7312 Intermediate Similarity NPC470047
0.7308 Intermediate Similarity NPC294259
0.7303 Intermediate Similarity NPC215481
0.7303 Intermediate Similarity NPC226242
0.7283 Intermediate Similarity NPC471325
0.7264 Intermediate Similarity NPC177064
0.7263 Intermediate Similarity NPC469676
0.7255 Intermediate Similarity NPC470906
0.7253 Intermediate Similarity NPC32758
0.7253 Intermediate Similarity NPC182550
0.7245 Intermediate Similarity NPC284185
0.7234 Intermediate Similarity NPC475796
0.7234 Intermediate Similarity NPC115786
0.7222 Intermediate Similarity NPC57744
0.7222 Intermediate Similarity NPC122264
0.7216 Intermediate Similarity NPC288699
0.7216 Intermediate Similarity NPC232747
0.7209 Intermediate Similarity NPC469677
0.7204 Intermediate Similarity NPC35556
0.72 Intermediate Similarity NPC67584
0.72 Intermediate Similarity NPC476487
0.72 Intermediate Similarity NPC476488
0.7191 Intermediate Similarity NPC244166
0.7188 Intermediate Similarity NPC478145
0.7188 Intermediate Similarity NPC478144
0.7184 Intermediate Similarity NPC475099
0.7184 Intermediate Similarity NPC477950
0.7184 Intermediate Similarity NPC310981
0.7174 Intermediate Similarity NPC472470
0.7158 Intermediate Similarity NPC96621
0.7158 Intermediate Similarity NPC470048
0.7158 Intermediate Similarity NPC235792
0.7158 Intermediate Similarity NPC245434
0.7157 Intermediate Similarity NPC252295
0.7143 Intermediate Similarity NPC222210
0.7143 Intermediate Similarity NPC63445
0.7143 Intermediate Similarity NPC299235
0.7143 Intermediate Similarity NPC474056
0.7143 Intermediate Similarity NPC253144
0.7129 Intermediate Similarity NPC322063
0.7129 Intermediate Similarity NPC213078
0.7129 Intermediate Similarity NPC121036
0.7129 Intermediate Similarity NPC472674
0.7128 Intermediate Similarity NPC39588
0.7128 Intermediate Similarity NPC193198
0.7128 Intermediate Similarity NPC108045
0.7128 Intermediate Similarity NPC475622
0.7113 Intermediate Similarity NPC469628
0.7113 Intermediate Similarity NPC469631
0.7113 Intermediate Similarity NPC28227
0.7113 Intermediate Similarity NPC469653
0.7113 Intermediate Similarity NPC226863
0.7113 Intermediate Similarity NPC91248
0.7113 Intermediate Similarity NPC475906
0.7113 Intermediate Similarity NPC471047
0.71 Intermediate Similarity NPC477131
0.71 Intermediate Similarity NPC167219
0.7097 Intermediate Similarity NPC35089
0.7097 Intermediate Similarity NPC10276
0.7097 Intermediate Similarity NPC42470
0.7093 Intermediate Similarity NPC469688
0.7093 Intermediate Similarity NPC469679
0.7083 Intermediate Similarity NPC64153
0.7083 Intermediate Similarity NPC195640
0.7083 Intermediate Similarity NPC279859
0.7083 Intermediate Similarity NPC38576
0.7075 Intermediate Similarity NPC60681
0.7071 Intermediate Similarity NPC74103
0.7071 Intermediate Similarity NPC123177
0.7071 Intermediate Similarity NPC150978
0.7071 Intermediate Similarity NPC70595
0.7065 Intermediate Similarity NPC261125
0.7065 Intermediate Similarity NPC178277
0.7065 Intermediate Similarity NPC181195
0.7059 Intermediate Similarity NPC161493
0.7059 Intermediate Similarity NPC213947
0.7059 Intermediate Similarity NPC108475
0.7059 Intermediate Similarity NPC170143
0.7053 Intermediate Similarity NPC156485
0.7053 Intermediate Similarity NPC474359
0.7048 Intermediate Similarity NPC176883
0.7041 Intermediate Similarity NPC123912
0.7041 Intermediate Similarity NPC285982
0.7041 Intermediate Similarity NPC4986
0.7033 Intermediate Similarity NPC65603
0.7033 Intermediate Similarity NPC276769
0.7033 Intermediate Similarity NPC15975
0.7033 Intermediate Similarity NPC195785
0.7033 Intermediate Similarity NPC86917
0.703 Intermediate Similarity NPC470978
0.703 Intermediate Similarity NPC52044
0.703 Intermediate Similarity NPC280877
0.703 Intermediate Similarity NPC470974
0.703 Intermediate Similarity NPC33473
0.7021 Intermediate Similarity NPC173609
0.7021 Intermediate Similarity NPC145963
0.7011 Intermediate Similarity NPC22301
0.7 Intermediate Similarity NPC475700
0.7 Intermediate Similarity NPC250575
0.7 Intermediate Similarity NPC477361
0.7 Intermediate Similarity NPC202824
0.699 Remote Similarity NPC109556
0.699 Remote Similarity NPC222011
0.6989 Remote Similarity NPC290508
0.6989 Remote Similarity NPC73052
0.6989 Remote Similarity NPC6823
0.6989 Remote Similarity NPC293418
0.6981 Remote Similarity NPC189616
0.6981 Remote Similarity NPC472868
0.6979 Remote Similarity NPC323765
0.6979 Remote Similarity NPC189311
0.6979 Remote Similarity NPC177932
0.6979 Remote Similarity NPC125290
0.6972 Remote Similarity NPC179642
0.6961 Remote Similarity NPC24956
0.6961 Remote Similarity NPC477354
0.6961 Remote Similarity NPC18019
0.6961 Remote Similarity NPC307164
0.6957 Remote Similarity NPC207186
0.6957 Remote Similarity NPC471220
0.6957 Remote Similarity NPC253749
0.6952 Remote Similarity NPC118405
0.6947 Remote Similarity NPC472473
0.6947 Remote Similarity NPC65350
0.6947 Remote Similarity NPC245665
0.6947 Remote Similarity NPC54468
0.6947 Remote Similarity NPC475947
0.6944 Remote Similarity NPC61411
0.6939 Remote Similarity NPC224652
0.6931 Remote Similarity NPC294266
0.6931 Remote Similarity NPC127019
0.6931 Remote Similarity NPC262133
0.6931 Remote Similarity NPC53685
0.6931 Remote Similarity NPC470013
0.6931 Remote Similarity NPC323008
0.6931 Remote Similarity NPC148463
0.6931 Remote Similarity NPC198853
0.6931 Remote Similarity NPC470010
0.6923 Remote Similarity NPC473223

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC49946 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
0.7143 Intermediate Similarity NPD5785 Approved
0.7113 Intermediate Similarity NPD6903 Approved
0.7083 Intermediate Similarity NPD5330 Approved
0.7083 Intermediate Similarity NPD7334 Approved
0.7083 Intermediate Similarity NPD7146 Approved
0.7083 Intermediate Similarity NPD6684 Approved
0.7083 Intermediate Similarity NPD7521 Approved
0.7083 Intermediate Similarity NPD6409 Approved
0.7041 Intermediate Similarity NPD1695 Approved
0.6979 Remote Similarity NPD1694 Approved
0.6947 Remote Similarity NPD5362 Discontinued
0.6939 Remote Similarity NPD7513 Clinical (unspecified phase)
0.69 Remote Similarity NPD5693 Phase 1
0.6863 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5209 Approved
0.6842 Remote Similarity NPD4752 Clinical (unspecified phase)
0.68 Remote Similarity NPD5207 Approved
0.6701 Remote Similarity NPD3665 Phase 1
0.6701 Remote Similarity NPD3133 Approved
0.6701 Remote Similarity NPD3666 Approved
0.67 Remote Similarity NPD6080 Approved
0.67 Remote Similarity NPD6673 Approved
0.67 Remote Similarity NPD6904 Approved
0.6699 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6697 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD6371 Approved
0.6633 Remote Similarity NPD5329 Approved
0.6633 Remote Similarity NPD5363 Approved
0.6633 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6001 Approved
0.66 Remote Similarity NPD5737 Approved
0.66 Remote Similarity NPD6672 Approved
0.66 Remote Similarity NPD5208 Approved
0.6596 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6083 Phase 2
0.6571 Remote Similarity NPD6084 Phase 2
0.6569 Remote Similarity NPD6050 Approved
0.6566 Remote Similarity NPD5690 Phase 2
0.6566 Remote Similarity NPD6098 Approved
0.6538 Remote Similarity NPD5695 Phase 3
0.6535 Remote Similarity NPD6051 Approved
0.6535 Remote Similarity NPD4753 Phase 2
0.6531 Remote Similarity NPD4197 Approved
0.6505 Remote Similarity NPD4202 Approved
0.6471 Remote Similarity NPD5692 Phase 3
0.6455 Remote Similarity NPD6008 Approved
0.6442 Remote Similarity NPD5282 Discontinued
0.6429 Remote Similarity NPD4788 Approved
0.6408 Remote Similarity NPD6079 Approved
0.6408 Remote Similarity NPD5694 Approved
0.64 Remote Similarity NPD4688 Approved
0.64 Remote Similarity NPD4138 Approved
0.64 Remote Similarity NPD5280 Approved
0.64 Remote Similarity NPD4694 Approved
0.64 Remote Similarity NPD5279 Phase 3
0.64 Remote Similarity NPD4689 Approved
0.64 Remote Similarity NPD5786 Approved
0.64 Remote Similarity NPD4690 Approved
0.64 Remote Similarity NPD4693 Phase 3
0.64 Remote Similarity NPD5205 Approved
0.6392 Remote Similarity NPD5369 Approved
0.6392 Remote Similarity NPD4790 Discontinued
0.6381 Remote Similarity NPD4629 Approved
0.6381 Remote Similarity NPD5210 Approved
0.6373 Remote Similarity NPD5328 Approved
0.6364 Remote Similarity NPD4786 Approved
0.6355 Remote Similarity NPD7638 Approved
0.6355 Remote Similarity NPD5696 Approved
0.6346 Remote Similarity NPD6399 Phase 3
0.6339 Remote Similarity NPD6881 Approved
0.6339 Remote Similarity NPD6899 Approved
0.6339 Remote Similarity NPD7320 Approved
0.633 Remote Similarity NPD5211 Phase 2
0.6327 Remote Similarity NPD6435 Approved
0.6327 Remote Similarity NPD4270 Approved
0.6327 Remote Similarity NPD4269 Approved
0.6321 Remote Similarity NPD4697 Phase 3
0.6316 Remote Similarity NPD6650 Approved
0.6316 Remote Similarity NPD6649 Approved
0.6306 Remote Similarity NPD5739 Approved
0.6306 Remote Similarity NPD6402 Approved
0.6306 Remote Similarity NPD6675 Approved
0.6306 Remote Similarity NPD7128 Approved
0.6296 Remote Similarity NPD5285 Approved
0.6296 Remote Similarity NPD7639 Approved
0.6296 Remote Similarity NPD7640 Approved
0.6296 Remote Similarity NPD4696 Approved
0.6296 Remote Similarity NPD5286 Approved
0.6283 Remote Similarity NPD6373 Approved
0.6283 Remote Similarity NPD6372 Approved
0.6277 Remote Similarity NPD8039 Approved
0.6275 Remote Similarity NPD4518 Approved
0.6273 Remote Similarity NPD6052 Approved
0.6263 Remote Similarity NPD5332 Approved
0.6263 Remote Similarity NPD5331 Approved
0.6263 Remote Similarity NPD7154 Phase 3
0.6262 Remote Similarity NPD4755 Approved
0.6261 Remote Similarity NPD6053 Discontinued
0.625 Remote Similarity NPD5697 Approved
0.6239 Remote Similarity NPD5223 Approved
0.6238 Remote Similarity NPD3618 Phase 1
0.6228 Remote Similarity NPD7102 Approved
0.6228 Remote Similarity NPD7290 Approved
0.6228 Remote Similarity NPD6883 Approved
0.6216 Remote Similarity NPD5141 Approved
0.6195 Remote Similarity NPD6011 Approved
0.6186 Remote Similarity NPD7115 Discovery
0.6186 Remote Similarity NPD4195 Approved
0.6182 Remote Similarity NPD5224 Approved
0.6182 Remote Similarity NPD5225 Approved
0.6182 Remote Similarity NPD4633 Approved
0.6182 Remote Similarity NPD5226 Approved
0.618 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6179 Remote Similarity NPD7507 Approved
0.6174 Remote Similarity NPD8130 Phase 1
0.6174 Remote Similarity NPD6869 Approved
0.6174 Remote Similarity NPD6847 Approved
0.6174 Remote Similarity NPD6617 Approved
0.6162 Remote Similarity NPD3667 Approved
0.6154 Remote Similarity NPD4096 Approved
0.6148 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6147 Remote Similarity NPD4700 Approved
0.614 Remote Similarity NPD6014 Approved
0.614 Remote Similarity NPD6013 Approved
0.614 Remote Similarity NPD6012 Approved
0.6139 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6126 Remote Similarity NPD5175 Approved
0.6126 Remote Similarity NPD5174 Approved
0.6122 Remote Similarity NPD4820 Approved
0.6122 Remote Similarity NPD4252 Approved
0.6122 Remote Similarity NPD4819 Approved
0.6122 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6122 Remote Similarity NPD4821 Approved
0.6122 Remote Similarity NPD5368 Approved
0.6122 Remote Similarity NPD4822 Approved
0.6121 Remote Similarity NPD6882 Approved
0.6121 Remote Similarity NPD8297 Approved
0.6106 Remote Similarity NPD5701 Approved
0.6095 Remote Similarity NPD5284 Approved
0.6095 Remote Similarity NPD5281 Approved
0.6078 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6078 Remote Similarity NPD4623 Approved
0.6078 Remote Similarity NPD4519 Discontinued
0.6075 Remote Similarity NPD5654 Approved
0.604 Remote Similarity NPD3668 Phase 3
0.6034 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6033 Remote Similarity NPD6054 Approved
0.6032 Remote Similarity NPD7319 Approved
0.6022 Remote Similarity NPD4747 Approved
0.6022 Remote Similarity NPD4691 Approved
0.6019 Remote Similarity NPD5222 Approved
0.6019 Remote Similarity NPD4250 Approved
0.6019 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5221 Approved
0.6019 Remote Similarity NPD4251 Approved
0.6 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6 Remote Similarity NPD5733 Approved
0.5982 Remote Similarity NPD4754 Approved
0.5981 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5981 Remote Similarity NPD7900 Approved
0.5965 Remote Similarity NPD6614 Approved
0.5965 Remote Similarity NPD6412 Phase 2
0.5963 Remote Similarity NPD5173 Approved
0.5963 Remote Similarity NPD5959 Approved
0.5957 Remote Similarity NPD5276 Approved
0.5935 Remote Similarity NPD6370 Approved
0.5934 Remote Similarity NPD7331 Phase 2
0.5922 Remote Similarity NPD4249 Approved
0.5918 Remote Similarity NPD4271 Approved
0.5918 Remote Similarity NPD4268 Approved
0.5914 Remote Similarity NPD4137 Phase 3
0.5913 Remote Similarity NPD4729 Approved
0.5913 Remote Similarity NPD5128 Approved
0.5913 Remote Similarity NPD4730 Approved
0.5913 Remote Similarity NPD6686 Approved
0.5909 Remote Similarity NPD4225 Approved
0.5902 Remote Similarity NPD6059 Approved
0.59 Remote Similarity NPD4692 Approved
0.59 Remote Similarity NPD4139 Approved
0.5888 Remote Similarity NPD5133 Approved
0.5877 Remote Similarity NPD4767 Approved
0.5877 Remote Similarity NPD4768 Approved
0.5873 Remote Similarity NPD7078 Approved
0.5868 Remote Similarity NPD6335 Approved
0.5865 Remote Similarity NPD3573 Approved
0.5854 Remote Similarity NPD6015 Approved
0.5854 Remote Similarity NPD6016 Approved
0.5854 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6698 Approved
0.5849 Remote Similarity NPD46 Approved
0.584 Remote Similarity NPD7492 Approved
0.5833 Remote Similarity NPD6924 Approved
0.5833 Remote Similarity NPD6926 Approved
0.5833 Remote Similarity NPD6274 Approved
0.5833 Remote Similarity NPD4687 Approved
0.5833 Remote Similarity NPD7748 Approved
0.5833 Remote Similarity NPD4058 Approved
0.5824 Remote Similarity NPD7341 Phase 2

Structure

External Identifiers

PubChem CID   12306828
ChEMBL   CHEMBL2393053
ZINC  

Physicochemical Properties

Molecular Weight:  382.25
ALogP:  2.8398
MLogP:  3.88
XLogP:  3.911
# Rotatable Bonds:  7
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  28

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs