Natural Product: NPC3218

Natural Product ID:  NPC3218
Common Name:   Euroabienol
IUPAC Name:   methyl (1R,4S,4aS,9S,10S,10aR)-4,10-diacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Synonyms:   Euroabienol
Molecular Formula:   C25H34O8
Standard InCHIKey:  FEMTVABTBAWCEK-YTBAPPOLSA-N
Standard InCHI:  InChI=1S/C25H34O8/c1-12(2)15-10-16-19(17(28)11-15)25(6)18(32-13(3)26)8-9-24(5,23(30)31-7)22(25)21(20(16)29)33-14(4)27/h10-12,18,20-22,28-29H,8-9H2,1-7H3/t18-,20-,21+,22-,24+,25+/m0/s1
Canonical SMILES:  COC(=O)[C@]1(C)CC[C@@H]([C@]2([C@H]1[C@H](OC(=O)C)[C@@H](O)c1c2c(O)cc(c1)C(C)C)C)OC(=O)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
NPO12357 Lycopus europaeus Species Lamiaceae Eukaryota PMID[20674349]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum MFC = 2.867 ug/ml 26191359
NPT79 Organism Bacillus subtilis Bacillus subtilis MBC = 2.867 ug/ml DrugMatrix in vivo data: Pathology
NPT314 Organism Bacillus cereus Bacillus cereus MBC = 0.716 ug/ml DrugMatrix in vivo data: Pathology
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MBC = 0.716 ug/ml DrugMatrix in vivo data: Pathology
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MBC = 2.867 ug/ml DrugMatrix in vivo data: Pathology
NPT766 Organism Proteus vulgaris Proteus vulgaris MBC = 5.735 ug/ml DrugMatrix in vivo data: Pathology
NPT19 Organism Escherichia coli Escherichia coli MBC = 0.716 ug/ml DrugMatrix in vivo data: Pathology
NPT19 Organism Escherichia coli Escherichia coli MBC = 5.735 ug/ml DrugMatrix in vivo data: Pathology
NPT19 Organism Escherichia coli Escherichia coli MBC = 2.867 ug/ml DrugMatrix in vivo data: Pathology
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MBC = 1.433 ug/ml DrugMatrix in vivo data: Pathology
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MFC = 0.358 ug/ml 26151487
NPT2 Others Unspecified MFC > 5.735 ug/ml 26151487
NPT20 Organism Candida albicans Candida albicans MFC = 1.433 ug/ml 26151487
NPT729 Organism Micrococcus luteus Micrococcus luteus MBC = 0.179 ug/ml 26225905
NPT2 Others Unspecified MFC = 2.867 ug/ml 26225905
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MFC = 0.089 ug/ml 26225905
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 5.735 ug/ml 26225905
NPT5743 Organism Arcanobacterium pyogenes Arcanobacterium pyogenes MBC = 1.433 ug/ml 26225905
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 0.716 ug/ml 26225905
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 2.867 ug/ml 26225905
NPT19 Organism Escherichia coli Escherichia coli MIC = 179 ug/ml 26287401
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum MIC = 1433 ug/ml 22705001
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 89 ug/ml 22705001
NPT2 Others Unspecified MIC > 5735 ug/ml 15921404
NPT2 Others Unspecified MIC = 1433 ug/ml 15921404
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 89 ug/ml 15921404
NPT20 Organism Candida albicans Candida albicans MIC = 358 ug/ml 15921404
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 45 ug/ml 15921404
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 22 ug/ml 15921404
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 179 ug/ml 15921404
NPT19 Organism Escherichia coli Escherichia coli MIC = 358 ug/ml 16378364
NPT1190 Organism Salmonella enterica Salmonella enterica MIC = 179 ug/ml 20405847
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 179 ug/ml 20405847
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 358 ug/ml 20405847
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC = 179 ug/ml 2691635
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 179 ug/ml 2691635
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 45 ug/ml 2691635
NPT19 Organism Escherichia coli Escherichia coli MIC = 716 ug/ml 2691635
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 89 ug/ml 1479376
NPT5743 Organism Arcanobacterium pyogenes Arcanobacterium pyogenes MIC = 179 ug/ml 1479376
NPT1190 Organism Salmonella enterica Salmonella enterica MBC = 1.433 ug/ml 12828469

  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 NPC3218 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
0.9489 High Similarity NPC272907
0.9489 High Similarity NPC2681
0.9286 High Similarity NPC126707
0.9021 High Similarity NPC246229
0.9021 High Similarity NPC191899
0.9021 High Similarity NPC474991
0.8958 High Similarity NPC127046
0.8905 High Similarity NPC49742
0.8841 High Similarity NPC293454
0.8819 High Similarity NPC84786
0.8699 High Similarity NPC470757
0.863 High Similarity NPC58752
0.8562 High Similarity NPC75295
0.8529 High Similarity NPC476022
0.8529 High Similarity NPC474945
0.8519 High Similarity NPC181334
0.8511 High Similarity NPC279463
0.8489 Intermediate Similarity NPC476847
0.8477 Intermediate Similarity NPC62051
0.8472 Intermediate Similarity NPC471853
0.8467 Intermediate Similarity NPC471077
0.8456 Intermediate Similarity NPC87985
0.8446 Intermediate Similarity NPC5568
0.8444 Intermediate Similarity NPC471187
0.8435 Intermediate Similarity NPC258856
0.8435 Intermediate Similarity NPC170055
0.8433 Intermediate Similarity NPC249340
0.8433 Intermediate Similarity NPC162935
0.8394 Intermediate Similarity NPC474944
0.8378 Intermediate Similarity NPC285122
0.8378 Intermediate Similarity NPC63918
0.837 Intermediate Similarity NPC273336
0.837 Intermediate Similarity NPC182333
0.837 Intermediate Similarity NPC121168
0.8369 Intermediate Similarity NPC476282
0.8367 Intermediate Similarity NPC84568
0.8367 Intermediate Similarity NPC218866
0.8367 Intermediate Similarity NPC48130
0.8367 Intermediate Similarity NPC300684
0.8357 Intermediate Similarity NPC291001
0.8357 Intermediate Similarity NPC312341
0.8356 Intermediate Similarity NPC248068
0.8355 Intermediate Similarity NPC209393
0.8355 Intermediate Similarity NPC205172
0.8344 Intermediate Similarity NPC124842
0.8333 Intermediate Similarity NPC44378
0.8333 Intermediate Similarity NPC280753
0.8333 Intermediate Similarity NPC142654
0.8321 Intermediate Similarity NPC137750
0.831 Intermediate Similarity NPC213122
0.831 Intermediate Similarity NPC202225
0.8309 Intermediate Similarity NPC77691
0.8301 Intermediate Similarity NPC174599
0.8301 Intermediate Similarity NPC192219
0.8301 Intermediate Similarity NPC82190
0.8301 Intermediate Similarity NPC3449
0.8299 Intermediate Similarity NPC25491
0.8299 Intermediate Similarity NPC477207
0.8298 Intermediate Similarity NPC165612
0.8296 Intermediate Similarity NPC293831
0.8296 Intermediate Similarity NPC369
0.8284 Intermediate Similarity NPC133389
0.8284 Intermediate Similarity NPC234337
0.8284 Intermediate Similarity NPC478121
0.8284 Intermediate Similarity NPC183339
0.8273 Intermediate Similarity NPC476024
0.8267 Intermediate Similarity NPC477206
0.8267 Intermediate Similarity NPC473719
0.8267 Intermediate Similarity NPC94781
0.8261 Intermediate Similarity NPC253681
0.8255 Intermediate Similarity NPC470330
0.8247 Intermediate Similarity NPC283480
0.8247 Intermediate Similarity NPC10945
0.8247 Intermediate Similarity NPC148323
0.8235 Intermediate Similarity NPC478058
0.8235 Intermediate Similarity NPC11250
0.8231 Intermediate Similarity NPC184935
0.8227 Intermediate Similarity NPC243305
0.8227 Intermediate Similarity NPC471851
0.8224 Intermediate Similarity NPC205918
0.8222 Intermediate Similarity NPC241001
0.8219 Intermediate Similarity NPC27518
0.8219 Intermediate Similarity NPC304110
0.8212 Intermediate Similarity NPC327962
0.8209 Intermediate Similarity NPC469644
0.8205 Intermediate Similarity NPC472055
0.8194 Intermediate Similarity NPC206641
0.8194 Intermediate Similarity NPC208651
0.8182 Intermediate Similarity NPC474501
0.8182 Intermediate Similarity NPC477893
0.8182 Intermediate Similarity NPC477896
0.8176 Intermediate Similarity NPC100242
0.817 Intermediate Similarity NPC65591
0.817 Intermediate Similarity NPC178574
0.8165 Intermediate Similarity NPC25889
0.8158 Intermediate Similarity NPC119252
0.8153 Intermediate Similarity NPC266365
0.8146 Intermediate Similarity NPC471852
0.8141 Intermediate Similarity NPC314795
0.8141 Intermediate Similarity NPC470339
0.8138 Intermediate Similarity NPC477592
0.8138 Intermediate Similarity NPC475957
0.8134 Intermediate Similarity NPC471671
0.8133 Intermediate Similarity NPC120536
0.8129 Intermediate Similarity NPC5486
0.8125 Intermediate Similarity NPC103082
0.8117 Intermediate Similarity NPC218870
0.8117 Intermediate Similarity NPC470408
0.8117 Intermediate Similarity NPC182921
0.8117 Intermediate Similarity NPC474824
0.8112 Intermediate Similarity NPC78307
0.8099 Intermediate Similarity NPC258073
0.8095 Intermediate Similarity NPC475907
0.8095 Intermediate Similarity NPC172311
0.8092 Intermediate Similarity NPC303989
0.8092 Intermediate Similarity NPC474310
0.8092 Intermediate Similarity NPC247219
0.8088 Intermediate Similarity NPC164852
0.8085 Intermediate Similarity NPC131684
0.8082 Intermediate Similarity NPC62800
0.8082 Intermediate Similarity NPC324262
0.8079 Intermediate Similarity NPC81835
0.8074 Intermediate Similarity NPC42657
0.8069 Intermediate Similarity NPC68292
0.8067 Intermediate Similarity NPC470038
0.8067 Intermediate Similarity NPC320734
0.8065 Intermediate Similarity NPC314257
0.8065 Intermediate Similarity NPC266469
0.8065 Intermediate Similarity NPC472807
0.806 Intermediate Similarity NPC304510
0.806 Intermediate Similarity NPC172219
0.8056 Intermediate Similarity NPC194970
0.8056 Intermediate Similarity NPC204582
0.8052 Intermediate Similarity NPC474533
0.8052 Intermediate Similarity NPC474534
0.8043 Intermediate Similarity NPC198014
0.8043 Intermediate Similarity NPC307139
0.8042 Intermediate Similarity NPC59239
0.8041 Intermediate Similarity NPC477894
0.8039 Intermediate Similarity NPC77310
0.8029 Intermediate Similarity NPC253627
0.8028 Intermediate Similarity NPC108129
0.8028 Intermediate Similarity NPC163169
0.8028 Intermediate Similarity NPC123
0.8026 Intermediate Similarity NPC470479
0.8025 Intermediate Similarity NPC53139
0.8025 Intermediate Similarity NPC471750
0.8014 Intermediate Similarity NPC471152
0.8014 Intermediate Similarity NPC229894
0.8013 Intermediate Similarity NPC478027
0.8013 Intermediate Similarity NPC474861
0.8013 Intermediate Similarity NPC165483
0.8 Intermediate Similarity NPC321822
0.8 Intermediate Similarity NPC103910
0.8 Intermediate Similarity NPC260152
0.8 Intermediate Similarity NPC472804
0.8 Intermediate Similarity NPC325294
0.8 Intermediate Similarity NPC474621
0.8 Intermediate Similarity NPC53520
0.8 Intermediate Similarity NPC312482
0.8 Intermediate Similarity NPC29932
0.8 Intermediate Similarity NPC474622
0.8 Intermediate Similarity NPC469609
0.7987 Intermediate Similarity NPC308572
0.7987 Intermediate Similarity NPC477873
0.7987 Intermediate Similarity NPC11892
0.7987 Intermediate Similarity NPC469447
0.7987 Intermediate Similarity NPC474961
0.7987 Intermediate Similarity NPC187934
0.7987 Intermediate Similarity NPC97637
0.7986 Intermediate Similarity NPC111845
0.7985 Intermediate Similarity NPC92
0.7985 Intermediate Similarity NPC308311
0.7985 Intermediate Similarity NPC469663
0.7985 Intermediate Similarity NPC38893
0.7985 Intermediate Similarity NPC477137
0.7974 Intermediate Similarity NPC267469
0.7974 Intermediate Similarity NPC116292
0.7974 Intermediate Similarity NPC474305
0.7974 Intermediate Similarity NPC87630
0.7974 Intermediate Similarity NPC120171
0.7974 Intermediate Similarity NPC179128
0.7973 Intermediate Similarity NPC38473
0.7973 Intermediate Similarity NPC470035
0.7973 Intermediate Similarity NPC315578
0.7972 Intermediate Similarity NPC18798
0.7971 Intermediate Similarity NPC471794
0.7963 Intermediate Similarity NPC202428
0.7963 Intermediate Similarity NPC266545
0.7961 Intermediate Similarity NPC477483
0.7961 Intermediate Similarity NPC53362
0.7961 Intermediate Similarity NPC166583
0.7961 Intermediate Similarity NPC325032
0.7959 Intermediate Similarity NPC477593
0.7959 Intermediate Similarity NPC230811
0.7958 Intermediate Similarity NPC117899
0.7956 Intermediate Similarity NPC32322
0.7956 Intermediate Similarity NPC259703
0.795 Intermediate Similarity NPC472621
0.795 Intermediate Similarity NPC200726

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC3218 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
0.8099 Intermediate Similarity NPD6663 Approved
0.8071 Intermediate Similarity NPD5736 Approved
0.7821 Intermediate Similarity NPD37 Approved
0.78 Intermediate Similarity NPD8166 Discontinued
0.7799 Intermediate Similarity NPD6234 Discontinued
0.7785 Intermediate Similarity NPD4967 Phase 2
0.7785 Intermediate Similarity NPD4965 Approved
0.7785 Intermediate Similarity NPD4966 Approved
0.7748 Intermediate Similarity NPD6190 Approved
0.773 Intermediate Similarity NPD7473 Discontinued
0.7712 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD8150 Discontinued
0.7683 Intermediate Similarity NPD7228 Approved
0.7682 Intermediate Similarity NPD4628 Phase 3
0.7654 Intermediate Similarity NPD6232 Discontinued
0.7626 Intermediate Similarity NPD3019 Approved
0.7552 Intermediate Similarity NPD3094 Phase 2
0.7533 Intermediate Similarity NPD6100 Approved
0.7533 Intermediate Similarity NPD6099 Approved
0.753 Intermediate Similarity NPD5844 Phase 1
0.7518 Intermediate Similarity NPD3092 Approved
0.75 Intermediate Similarity NPD2932 Approved
0.7485 Intermediate Similarity NPD8127 Discontinued
0.7453 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD2629 Approved
0.7432 Intermediate Similarity NPD4060 Phase 1
0.7414 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD8312 Approved
0.7412 Intermediate Similarity NPD8313 Approved
0.7405 Intermediate Similarity NPD7458 Discontinued
0.7405 Intermediate Similarity NPD3226 Approved
0.7399 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD7199 Phase 2
0.7372 Intermediate Similarity NPD2534 Approved
0.7372 Intermediate Similarity NPD2532 Approved
0.7372 Intermediate Similarity NPD2533 Approved
0.7368 Intermediate Similarity NPD5763 Approved
0.7368 Intermediate Similarity NPD5762 Approved
0.7357 Intermediate Similarity NPD3091 Approved
0.7351 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD7390 Discontinued
0.7303 Intermediate Similarity NPD2438 Suspended
0.7303 Intermediate Similarity NPD5405 Approved
0.7303 Intermediate Similarity NPD5404 Approved
0.7303 Intermediate Similarity NPD5406 Approved
0.7303 Intermediate Similarity NPD5408 Approved
0.7294 Intermediate Similarity NPD7240 Approved
0.7273 Intermediate Similarity NPD6674 Discontinued
0.7267 Intermediate Similarity NPD6355 Discontinued
0.7255 Intermediate Similarity NPD7266 Discontinued
0.7241 Intermediate Similarity NPD1283 Approved
0.7229 Intermediate Similarity NPD7229 Phase 3
0.7226 Intermediate Similarity NPD7003 Approved
0.7222 Intermediate Similarity NPD7819 Suspended
0.7222 Intermediate Similarity NPD8455 Phase 2
0.7203 Intermediate Similarity NPD3023 Approved
0.7203 Intermediate Similarity NPD3026 Approved
0.72 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3620 Phase 2
0.72 Intermediate Similarity NPD2979 Phase 3
0.72 Intermediate Similarity NPD4140 Approved
0.7195 Intermediate Similarity NPD7075 Discontinued
0.7192 Intermediate Similarity NPD1470 Approved
0.7188 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD8434 Phase 2
0.7183 Intermediate Similarity NPD3025 Approved
0.7183 Intermediate Similarity NPD3024 Approved
0.7181 Intermediate Similarity NPD6798 Discontinued
0.7181 Intermediate Similarity NPD3764 Approved
0.7181 Intermediate Similarity NPD7985 Registered
0.7174 Intermediate Similarity NPD7635 Approved
0.7169 Intermediate Similarity NPD6959 Discontinued
0.7161 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1201 Approved
0.7152 Intermediate Similarity NPD230 Phase 1
0.7143 Intermediate Similarity NPD4380 Phase 2
0.7133 Intermediate Similarity NPD3095 Discontinued
0.7133 Intermediate Similarity NPD8032 Phase 2
0.7133 Intermediate Similarity NPD1778 Approved
0.7117 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD4110 Phase 3
0.7114 Intermediate Similarity NPD7095 Approved
0.7114 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6273 Approved
0.7103 Intermediate Similarity NPD1608 Approved
0.7097 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD8320 Phase 1
0.7065 Intermediate Similarity NPD8319 Approved
0.7059 Intermediate Similarity NPD7097 Phase 1
0.7051 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD5735 Approved
0.7035 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1281 Approved
0.7032 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD6002 Phase 3
0.7032 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD2346 Discontinued
0.7032 Intermediate Similarity NPD6004 Phase 3
0.7032 Intermediate Similarity NPD6005 Phase 3
0.7027 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3787 Discontinued
0.7021 Intermediate Similarity NPD4198 Discontinued
0.7014 Intermediate Similarity NPD4626 Approved
0.7013 Intermediate Similarity NPD7033 Discontinued
0.7012 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD1465 Phase 2
0.7011 Intermediate Similarity NPD7435 Discontinued
0.7007 Intermediate Similarity NPD6696 Suspended
0.7006 Intermediate Similarity NPD3400 Discontinued
0.697 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6951 Remote Similarity NPD1934 Approved
0.6951 Remote Similarity NPD6801 Discontinued
0.695 Remote Similarity NPD5951 Approved
0.6944 Remote Similarity NPD6535 Approved
0.6944 Remote Similarity NPD5691 Approved
0.6944 Remote Similarity NPD6534 Approved
0.6941 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6941 Remote Similarity NPD6166 Phase 2
0.6941 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6937 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6934 Remote Similarity NPD2342 Discontinued
0.6933 Remote Similarity NPD6599 Discontinued
0.6923 Remote Similarity NPD7699 Phase 2
0.6923 Remote Similarity NPD7700 Phase 2
0.6918 Remote Similarity NPD3300 Phase 2
0.6918 Remote Similarity NPD7236 Approved
0.6915 Remote Similarity NPD8151 Discontinued
0.6914 Remote Similarity NPD7239 Suspended
0.6908 Remote Similarity NPD6233 Phase 2
0.6903 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6903 Remote Similarity NPD7305 Phase 1
0.6897 Remote Similarity NPD7685 Pre-registration
0.6897 Remote Similarity NPD5125 Phase 3
0.6897 Remote Similarity NPD6559 Discontinued
0.6897 Remote Similarity NPD5126 Approved
0.6897 Remote Similarity NPD17 Approved
0.6892 Remote Similarity NPD8651 Approved
0.689 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6885 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6883 Remote Similarity NPD6653 Approved
0.6879 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7074 Phase 3
0.6875 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6875 Remote Similarity NPD9545 Approved
0.6867 Remote Similarity NPD3817 Phase 2
0.686 Remote Similarity NPD7177 Discontinued
0.686 Remote Similarity NPD3751 Discontinued
0.686 Remote Similarity NPD3818 Discontinued
0.6859 Remote Similarity NPD2531 Phase 2
0.6859 Remote Similarity NPD2935 Discontinued
0.6848 Remote Similarity NPD6777 Approved
0.6848 Remote Similarity NPD6779 Approved
0.6848 Remote Similarity NPD6776 Approved
0.6848 Remote Similarity NPD6780 Approved
0.6848 Remote Similarity NPD6778 Approved
0.6848 Remote Similarity NPD6782 Approved
0.6848 Remote Similarity NPD6781 Approved
0.6835 Remote Similarity NPD3021 Approved
0.6835 Remote Similarity NPD3022 Approved
0.6835 Remote Similarity NPD4750 Phase 3
0.6832 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6828 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1651 Approved
0.6824 Remote Similarity NPD5711 Approved
0.6824 Remote Similarity NPD5710 Approved
0.6821 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7054 Approved
0.6807 Remote Similarity NPD2801 Approved
0.6805 Remote Similarity NPD4666 Phase 3
0.68 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6797 Remote Similarity NPD4248 Discontinued
0.6796 Remote Similarity NPD6213 Phase 3
0.6796 Remote Similarity NPD6212 Phase 3
0.6796 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6789 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6789 Remote Similarity NPD7874 Approved
0.6788 Remote Similarity NPD7411 Suspended
0.6786 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7472 Approved
0.6781 Remote Similarity NPD4059 Approved
0.6776 Remote Similarity NPD7008 Discontinued
0.6776 Remote Similarity NPD3027 Phase 3
0.6776 Remote Similarity NPD4625 Phase 3
0.6766 Remote Similarity NPD5402 Approved
0.6763 Remote Similarity NPD7799 Discontinued
0.6761 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7741 Discontinued
0.6757 Remote Similarity NPD9269 Phase 2
0.6755 Remote Similarity NPD2861 Phase 2
0.6754 Remote Similarity NPD7782 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   46933232
ChEMBL   CHEMBL1223332
ZINC  

Physicochemical Properties

Molecular Weight:  462.23
ALogP:  -0.4622
MLogP:  3.33
XLogP:  3.162
# Rotatable Bonds:  16
Polar Surface Area:  119.36
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  33

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