Natural Product: NPC135730

Natural Product ID:  NPC135730
Common Name:   Mansonone E
IUPAC Name:  
Synonyms:   Mansonone E
Molecular Formula:   C15H14O3
Standard InCHIKey:  SYWTYRLIJCHSLJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H14O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-5,8H,6H2,1-3H3
Canonical SMILES:  CC1COC2=C(C)C(=O)C(=O)c3c2c1ccc3C
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
NPO19367 Thespesia populnea Species Malvaceae Eukaryota PMID[18553924]
NPO15986 Alangium chinense Species Cornaceae Eukaryota Roots PMID[23734721]
NPO11301 Ulmus glabra Species Ulmaceae Eukaryota HerDing*
NPO19367 Thespesia populnea Species Malvaceae Eukaryota HerDing*
NPO20840 Ulmus parvifolia Species Ulmaceae Eukaryota TCM_Taiwan*
NPO20840 Ulmus parvifolia Species Ulmaceae Eukaryota HerDing*
NPO5895 Hibiscus taiwanensis Species Malvaceae Eukaryota HerDing*
NPO7216 Helicteres angustifolia Species Malvaceae Eukaryota HerDing*
NPO19367 Thespesia populnea Species Malvaceae Eukaryota TCMID*
NPO20840 Ulmus parvifolia Species Ulmaceae Eukaryota TCMID*
NPO11301 Ulmus glabra Species Ulmaceae Eukaryota TCMID*
NPO7216 Helicteres angustifolia Species Malvaceae Eukaryota TCMID*
NPO5895 Hibiscus taiwanensis Species Malvaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC50 = 8 ug/ml 15357984
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC90 = 16 ug/ml 15357984
NPT2 Others Unspecified Activity = 66 microM/min 18276039
NPT2 Others Unspecified Activity = 276 microM/min 18276039
NPT1266 Organism Leptomonas seymouri Leptomonas seymouri IC50 = 400 nM 18276039
NPT1267 Organism Crithidia fasciculata Crithidia fasciculata IC50 = 600 nM 18276039
NPT83 Cell Line MCF7 Homo sapiens IC50 = 0.05 ug/ml 18553924
NPT165 Cell Line HeLa Homo sapiens IC50 = 0.55 ug/ml 18553924
NPT139 Cell Line HT-29 Homo sapiens IC50 = 0.18 ug/ml 18553924
NPT91 Cell Line KB Homo sapiens IC50 = 0.4 ug/ml 18553924
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 4.69 ug/ml 18553924
NPT1084 Subcellular Liver microsomes Rattus norvegicus IC50 = 45700 nM 23734721
NPT3494 Organism Coxsackievirus Coxsackievirus IC50 = 4700 nM 23734721
NPT165 Cell Line HeLa Homo sapiens IC50 = 15720 nM 23968711
NPT111 Cell Line K562 Homo sapiens IC50 = 12230 nM 23968711
NPT116 Cell Line HL-60 Homo sapiens IC50 = 10630 nM 23968711
NPT81 Cell Line A549 Homo sapiens IC50 = 17510 nM 23968711
NPT1044 Individual Protein DNA topoisomerase II alpha Homo sapiens IC50 = 18600 nM 23968711

  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 NPC135730 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
0.9537 High Similarity NPC13784
0.9381 High Similarity NPC988
0.9381 High Similarity NPC289432
0.9364 High Similarity NPC228936
0.9298 High Similarity NPC144547
0.9211 High Similarity NPC238861
0.9211 High Similarity NPC77000
0.9189 High Similarity NPC474095
0.9099 High Similarity NPC196075
0.8929 High Similarity NPC477411
0.8919 High Similarity NPC212415
0.8898 High Similarity NPC51079
0.8879 High Similarity NPC232958
0.8829 High Similarity NPC210089
0.8772 High Similarity NPC226093
0.8522 High Similarity NPC470764
0.8421 Intermediate Similarity NPC79496
0.8393 Intermediate Similarity NPC470391
0.8362 Intermediate Similarity NPC474408
0.8346 Intermediate Similarity NPC59459
0.8333 Intermediate Similarity NPC474057
0.8333 Intermediate Similarity NPC291799
0.8333 Intermediate Similarity NPC167504
0.8214 Intermediate Similarity NPC209632
0.8203 Intermediate Similarity NPC310662
0.8174 Intermediate Similarity NPC474157
0.8174 Intermediate Similarity NPC137315
0.8158 Intermediate Similarity NPC83628
0.8158 Intermediate Similarity NPC265407
0.8151 Intermediate Similarity NPC228318
0.8142 Intermediate Similarity NPC30594
0.8142 Intermediate Similarity NPC37622
0.8125 Intermediate Similarity NPC114594
0.812 Intermediate Similarity NPC241851
0.812 Intermediate Similarity NPC196673
0.812 Intermediate Similarity NPC326664
0.807 Intermediate Similarity NPC203732
0.8065 Intermediate Similarity NPC295664
0.8051 Intermediate Similarity NPC210092
0.8051 Intermediate Similarity NPC306740
0.8047 Intermediate Similarity NPC279596
0.8036 Intermediate Similarity NPC60679
0.8034 Intermediate Similarity NPC128368
0.8034 Intermediate Similarity NPC272524
0.8018 Intermediate Similarity NPC70624
0.8016 Intermediate Similarity NPC428300
0.8 Intermediate Similarity NPC99846
0.8 Intermediate Similarity NPC192577
0.8 Intermediate Similarity NPC269023
0.7984 Intermediate Similarity NPC183103
0.7984 Intermediate Similarity NPC228739
0.7982 Intermediate Similarity NPC119271
0.7966 Intermediate Similarity NPC308744
0.7966 Intermediate Similarity NPC307651
0.7966 Intermediate Similarity NPC67377
0.7949 Intermediate Similarity NPC82899
0.7949 Intermediate Similarity NPC270699
0.7939 Intermediate Similarity NPC309056
0.7937 Intermediate Similarity NPC177925
0.7937 Intermediate Similarity NPC474737
0.7937 Intermediate Similarity NPC51292
0.7934 Intermediate Similarity NPC318173
0.7931 Intermediate Similarity NPC196246
0.7931 Intermediate Similarity NPC214067
0.7931 Intermediate Similarity NPC273837
0.7917 Intermediate Similarity NPC190298
0.7913 Intermediate Similarity NPC56493
0.7907 Intermediate Similarity NPC239134
0.7903 Intermediate Similarity NPC223351
0.7899 Intermediate Similarity NPC474685
0.7895 Intermediate Similarity NPC172483
0.7891 Intermediate Similarity NPC471832
0.7891 Intermediate Similarity NPC57552
0.7886 Intermediate Similarity NPC472981
0.7876 Intermediate Similarity NPC89886
0.7874 Intermediate Similarity NPC115797
0.7874 Intermediate Similarity NPC51448
0.7869 Intermediate Similarity NPC204784
0.7863 Intermediate Similarity NPC212207
0.7863 Intermediate Similarity NPC305912
0.7863 Intermediate Similarity NPC1082
0.7857 Intermediate Similarity NPC112552
0.7857 Intermediate Similarity NPC236405
0.7851 Intermediate Similarity NPC323440
0.7851 Intermediate Similarity NPC45794
0.7851 Intermediate Similarity NPC222968
0.7851 Intermediate Similarity NPC80605
0.7845 Intermediate Similarity NPC17417
0.7845 Intermediate Similarity NPC10251
0.784 Intermediate Similarity NPC182646
0.784 Intermediate Similarity NPC328107
0.784 Intermediate Similarity NPC318067
0.7838 Intermediate Similarity NPC225060
0.7833 Intermediate Similarity NPC149691
0.7807 Intermediate Similarity NPC31786
0.7797 Intermediate Similarity NPC292834
0.7788 Intermediate Similarity NPC188895
0.7778 Intermediate Similarity NPC251854
0.7778 Intermediate Similarity NPC93084
0.7778 Intermediate Similarity NPC174099
0.7769 Intermediate Similarity NPC477412
0.7769 Intermediate Similarity NPC164295
0.7768 Intermediate Similarity NPC203925
0.7768 Intermediate Similarity NPC146351
0.776 Intermediate Similarity NPC65627
0.7752 Intermediate Similarity NPC82712
0.775 Intermediate Similarity NPC221275
0.7748 Intermediate Similarity NPC276775
0.7748 Intermediate Similarity NPC92754
0.7748 Intermediate Similarity NPC249912
0.7742 Intermediate Similarity NPC50872
0.7731 Intermediate Similarity NPC143768
0.7727 Intermediate Similarity NPC23894
0.7727 Intermediate Similarity NPC5472
0.7719 Intermediate Similarity NPC301943
0.7719 Intermediate Similarity NPC274443
0.7719 Intermediate Similarity NPC247976
0.7719 Intermediate Similarity NPC474365
0.7717 Intermediate Similarity NPC476599
0.7712 Intermediate Similarity NPC260818
0.7712 Intermediate Similarity NPC265513
0.771 Intermediate Similarity NPC477407
0.771 Intermediate Similarity NPC476644
0.771 Intermediate Similarity NPC477406
0.7705 Intermediate Similarity NPC61651
0.7699 Intermediate Similarity NPC42211
0.7698 Intermediate Similarity NPC85511
0.7686 Intermediate Similarity NPC100353
0.7686 Intermediate Similarity NPC471616
0.7679 Intermediate Similarity NPC78701
0.7679 Intermediate Similarity NPC35448
0.7672 Intermediate Similarity NPC83409
0.7672 Intermediate Similarity NPC185763
0.7669 Intermediate Similarity NPC217914
0.7667 Intermediate Similarity NPC153053
0.7661 Intermediate Similarity NPC473243
0.7661 Intermediate Similarity NPC476225
0.7661 Intermediate Similarity NPC105709
0.7652 Intermediate Similarity NPC470406
0.7652 Intermediate Similarity NPC263817
0.7647 Intermediate Similarity NPC280789
0.7647 Intermediate Similarity NPC471188
0.7647 Intermediate Similarity NPC66208
0.7647 Intermediate Similarity NPC321852
0.7638 Intermediate Similarity NPC75432
0.7634 Intermediate Similarity NPC472394
0.7632 Intermediate Similarity NPC45613
0.7632 Intermediate Similarity NPC244427
0.7632 Intermediate Similarity NPC222390
0.7623 Intermediate Similarity NPC158157
0.7615 Intermediate Similarity NPC133461
0.7615 Intermediate Similarity NPC262819
0.7612 Intermediate Similarity NPC471670
0.7612 Intermediate Similarity NPC232996
0.7611 Intermediate Similarity NPC476042
0.7611 Intermediate Similarity NPC118343
0.7609 Intermediate Similarity NPC117674
0.7607 Intermediate Similarity NPC211439
0.7603 Intermediate Similarity NPC186933
0.7603 Intermediate Similarity NPC476357
0.7603 Intermediate Similarity NPC274839
0.7597 Intermediate Similarity NPC45537
0.7594 Intermediate Similarity NPC1249
0.7594 Intermediate Similarity NPC474659
0.7586 Intermediate Similarity NPC134120
0.7583 Intermediate Similarity NPC161611
0.7583 Intermediate Similarity NPC470253
0.7581 Intermediate Similarity NPC202015
0.7578 Intermediate Similarity NPC470765
0.7578 Intermediate Similarity NPC470858
0.7574 Intermediate Similarity NPC470407
0.7568 Intermediate Similarity NPC130398
0.7568 Intermediate Similarity NPC260233
0.7563 Intermediate Similarity NPC243355
0.7559 Intermediate Similarity NPC141252
0.7559 Intermediate Similarity NPC11799
0.7557 Intermediate Similarity NPC27659
0.7556 Intermediate Similarity NPC119542
0.7556 Intermediate Similarity NPC186647
0.7556 Intermediate Similarity NPC284184
0.7556 Intermediate Similarity NPC301341
0.7545 Intermediate Similarity NPC153885
0.7542 Intermediate Similarity NPC474364
0.7542 Intermediate Similarity NPC469636
0.7542 Intermediate Similarity NPC85493
0.7542 Intermediate Similarity NPC318327
0.7541 Intermediate Similarity NPC260886
0.754 Intermediate Similarity NPC167323
0.754 Intermediate Similarity NPC269923
0.7538 Intermediate Similarity NPC59502
0.7537 Intermediate Similarity NPC22644
0.7537 Intermediate Similarity NPC89504
0.7537 Intermediate Similarity NPC95485
0.7537 Intermediate Similarity NPC88065
0.7523 Intermediate Similarity NPC173413
0.7521 Intermediate Similarity NPC100767
0.752 Intermediate Similarity NPC133302
0.7519 Intermediate Similarity NPC81135
0.7519 Intermediate Similarity NPC473220
0.7519 Intermediate Similarity NPC203486

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC135730 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
0.9211 High Similarity NPD3412 Clinical (unspecified phase)
0.8919 High Similarity NPD1609 Clinical (unspecified phase)
0.8017 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7845 Intermediate Similarity NPD2182 Approved
0.7807 Intermediate Similarity NPD164 Approved
0.7615 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD1238 Approved
0.76 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD1651 Approved
0.7563 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD1281 Approved
0.7521 Intermediate Similarity NPD1241 Discontinued
0.75 Intermediate Similarity NPD2346 Discontinued
0.75 Intermediate Similarity NPD1876 Approved
0.7481 Intermediate Similarity NPD7008 Discontinued
0.748 Intermediate Similarity NPD3972 Approved
0.7459 Intermediate Similarity NPD5951 Approved
0.7434 Intermediate Similarity NPD3495 Discontinued
0.7402 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD1283 Approved
0.7266 Intermediate Similarity NPD6287 Discontinued
0.7265 Intermediate Similarity NPD1930 Approved
0.7265 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD1929 Approved
0.7258 Intermediate Similarity NPD3317 Approved
0.7248 Intermediate Similarity NPD650 Approved
0.7244 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD7631 Approved
0.7209 Intermediate Similarity NPD4878 Approved
0.7203 Intermediate Similarity NPD1237 Approved
0.7203 Intermediate Similarity NPD5909 Discontinued
0.7185 Intermediate Similarity NPD2979 Phase 3
0.7177 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD5691 Approved
0.7143 Intermediate Similarity NPD7609 Phase 3
0.7122 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD1471 Phase 3
0.7121 Intermediate Similarity NPD2798 Approved
0.7111 Intermediate Similarity NPD7713 Phase 3
0.7107 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD7003 Approved
0.7049 Intermediate Similarity NPD2067 Discontinued
0.7043 Intermediate Similarity NPD1989 Approved
0.7037 Intermediate Similarity NPD2313 Discontinued
0.7016 Intermediate Similarity NPD6858 Approved
0.7016 Intermediate Similarity NPD7094 Approved
0.7009 Intermediate Similarity NPD2066 Phase 3
0.7 Intermediate Similarity NPD1201 Approved
0.6993 Remote Similarity NPD7236 Approved
0.6978 Remote Similarity NPD2799 Discontinued
0.6977 Remote Similarity NPD17 Approved
0.6963 Remote Similarity NPD6039 Approved
0.6953 Remote Similarity NPD9545 Approved
0.6939 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6939 Remote Similarity NPD3226 Approved
0.6937 Remote Similarity NPD1087 Approved
0.6929 Remote Similarity NPD2531 Phase 2
0.6929 Remote Similarity NPD2438 Suspended
0.6929 Remote Similarity NPD405 Clinical (unspecified phase)
0.6917 Remote Similarity NPD3266 Approved
0.6917 Remote Similarity NPD1470 Approved
0.6917 Remote Similarity NPD3267 Approved
0.6912 Remote Similarity NPD3764 Approved
0.6891 Remote Similarity NPD1932 Approved
0.6871 Remote Similarity NPD7239 Suspended
0.687 Remote Similarity NPD1202 Approved
0.6866 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6861 Remote Similarity NPD8032 Phase 2
0.6857 Remote Similarity NPD3748 Approved
0.6849 Remote Similarity NPD6273 Approved
0.6847 Remote Similarity NPD9259 Approved
0.6847 Remote Similarity NPD9257 Approved
0.6846 Remote Similarity NPD4626 Approved
0.6846 Remote Similarity NPD2932 Approved
0.6829 Remote Similarity NPD2329 Discontinued
0.6825 Remote Similarity NPD6010 Discontinued
0.6824 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7458 Discontinued
0.6818 Remote Similarity NPD1608 Approved
0.6812 Remote Similarity NPD3142 Approved
0.6812 Remote Similarity NPD4307 Phase 2
0.6812 Remote Similarity NPD3140 Approved
0.681 Remote Similarity NPD688 Clinical (unspecified phase)
0.681 Remote Similarity NPD1693 Approved
0.6809 Remote Similarity NPD2796 Approved
0.6794 Remote Similarity NPD4879 Approved
0.6783 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6772 Remote Similarity NPD2629 Approved
0.6769 Remote Similarity NPD3024 Approved
0.6769 Remote Similarity NPD3025 Approved
0.6761 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6755 Remote Similarity NPD7819 Suspended
0.6754 Remote Similarity NPD1089 Approved
0.6754 Remote Similarity NPD1086 Approved
0.6754 Remote Similarity NPD1090 Approved
0.6742 Remote Similarity NPD518 Clinical (unspecified phase)
0.6738 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6736 Remote Similarity NPD4628 Phase 3
0.6724 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6724 Remote Similarity NPD1563 Approved
0.6719 Remote Similarity NPD4198 Discontinued
0.6718 Remote Similarity NPD3019 Approved
0.6718 Remote Similarity NPD5126 Approved
0.6718 Remote Similarity NPD5125 Phase 3
0.6714 Remote Similarity NPD1607 Approved
0.6711 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6694 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6692 Remote Similarity NPD7009 Phase 2
0.669 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3026 Approved
0.6667 Remote Similarity NPD800 Approved
0.6667 Remote Similarity NPD2532 Approved
0.6667 Remote Similarity NPD2533 Approved
0.6667 Remote Similarity NPD9493 Approved
0.6667 Remote Similarity NPD2534 Approved
0.6667 Remote Similarity NPD2797 Approved
0.6667 Remote Similarity NPD3268 Approved
0.6667 Remote Similarity NPD3023 Approved
0.6643 Remote Similarity NPD4622 Approved
0.6643 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6643 Remote Similarity NPD2344 Approved
0.6643 Remote Similarity NPD4618 Approved
0.6643 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6642 Remote Similarity NPD182 Clinical (unspecified phase)
0.6642 Remote Similarity NPD7055 Discontinued
0.6642 Remote Similarity NPD6832 Phase 2
0.6641 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6638 Remote Similarity NPD1088 Approved
0.6638 Remote Similarity NPD1508 Approved
0.6637 Remote Similarity NPD1282 Approved
0.6621 Remote Similarity NPD8166 Discontinued
0.6621 Remote Similarity NPD3750 Approved
0.662 Remote Similarity NPD4308 Phase 3
0.662 Remote Similarity NPD1510 Phase 2
0.6618 Remote Similarity NPD6085 Phase 2
0.6618 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6617 Remote Similarity NPD1611 Approved
0.6615 Remote Similarity NPD7610 Discontinued
0.6609 Remote Similarity NPD3672 Approved
0.6609 Remote Similarity NPD3673 Approved
0.6609 Remote Similarity NPD9258 Approved
0.6609 Remote Similarity NPD9256 Approved
0.6601 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6597 Remote Similarity NPD970 Clinical (unspecified phase)
0.6597 Remote Similarity NPD1549 Phase 2
0.6593 Remote Similarity NPD5667 Approved
0.6573 Remote Similarity NPD4476 Approved
0.6573 Remote Similarity NPD6099 Approved
0.6573 Remote Similarity NPD4477 Approved
0.6573 Remote Similarity NPD6100 Approved
0.6571 Remote Similarity NPD1240 Approved
0.6569 Remote Similarity NPD9494 Approved
0.6567 Remote Similarity NPD6637 Approved
0.6565 Remote Similarity NPD2106 Clinical (unspecified phase)
0.6555 Remote Similarity NPD1564 Approved
0.6555 Remote Similarity NPD1566 Phase 3
0.6555 Remote Similarity NPD1565 Approved
0.6554 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6552 Remote Similarity NPD1239 Approved
0.6549 Remote Similarity NPD5688 Approved
0.6549 Remote Similarity NPD5689 Approved
0.6545 Remote Similarity NPD942 Approved
0.6538 Remote Similarity NPD5494 Approved
0.6532 Remote Similarity NPD3134 Approved
0.6519 Remote Similarity NPD5159 Phase 2
0.6519 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6519 Remote Similarity NPD5157 Phase 1
0.6519 Remote Similarity NPD5327 Phase 3
0.6515 Remote Similarity NPD5585 Approved
0.6508 Remote Similarity NPD1317 Discontinued
0.6507 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6504 Remote Similarity NPD3048 Approved
0.6504 Remote Similarity NPD3046 Approved
0.6504 Remote Similarity NPD3047 Approved
0.65 Remote Similarity NPD9495 Approved
0.65 Remote Similarity NPD6663 Approved
0.65 Remote Similarity NPD7961 Discontinued
0.6497 Remote Similarity NPD6959 Discontinued
0.6496 Remote Similarity NPD2788 Approved
0.6496 Remote Similarity NPD1019 Discontinued
0.6494 Remote Similarity NPD5978 Approved
0.6494 Remote Similarity NPD5977 Approved
0.6483 Remote Similarity NPD2897 Discontinued
0.6479 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2198 Approved
0.6471 Remote Similarity NPD2199 Approved
0.6471 Remote Similarity NPD1843 Approved
0.6467 Remote Similarity NPD920 Approved
0.6466 Remote Similarity NPD1778 Approved
0.6463 Remote Similarity NPD2309 Approved
0.6458 Remote Similarity NPD2935 Discontinued
0.6457 Remote Similarity NPD2201 Approved
0.6454 Remote Similarity NPD3373 Approved
0.6452 Remote Similarity NPD7058 Phase 2
0.6452 Remote Similarity NPD7057 Phase 3
0.6449 Remote Similarity NPD5736 Approved
0.6447 Remote Similarity NPD4380 Phase 2
0.6444 Remote Similarity NPD9717 Approved
0.6443 Remote Similarity NPD642 Clinical (unspecified phase)
0.6443 Remote Similarity NPD7422 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   94303
ChEMBL   CHEMBL362672
ZINC  

Physicochemical Properties

Molecular Weight:  242.09
ALogP:  0.5727
MLogP:  2.78
XLogP:  2.798
# Rotatable Bonds:  3
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  18

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Biological Activities  
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