Natural Product: NPC284918

Natural Product ID:  NPC284918
Common Name:   Oxalicumone E
IUPAC Name:   dimethyl (2S)-2-hydroxy-2-[(2S)-5-hydroxy-7-methyl-4-oxo-2,3-dihydrothieno[2,3-b]chromen-2-yl]butanedioate
Synonyms:  
Molecular Formula:   C18H18O8S
Standard InCHIKey:  MFZYMIIJIRJVLM-KPZWWZAWSA-N
Standard InCHI:  InChI=1S/C18H18O8S/c1-8-4-10(19)14-11(5-8)26-16-9(15(14)21)6-12(27-16)18(23,17(22)25-3)7-13(20)24-2/h4-5,12,19,23H,6-7H2,1-3H3/t12-,18+/m0/s1
Canonical SMILES:  COC(=O)[C@]([C@H]1Sc2c(C1)c(=O)c1c(o2)cc(cc1O)C)(CC(=O)OC)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
NPO33528 Penicillium oxalicum SCSGAF 0023 Species Aspergillaceae Eukaryota isolated from gorgonian Muricella flexuosa South China Sea, Sanya (18°11’N, 109°25’E), Hainan Province, China PMID[24767845]
NPO4866 Diospyros rotundifolia Species Ebenaceae Eukaryota UNPD*
NPO13202 Pseudodistoma kanoko Species Pseudodistomidae Eukaryota UNPD*
NPO14605 Glochidion thomsonii Species Phyllanthaceae Eukaryota UNPD*
NPO6632 Lunaria biennis Species Brassicaceae Eukaryota UNPD*
NPO8648 Gorgonia mariae Species Gorgoniidae Eukaryota UNPD*
NPO10023 Francoeuria undulata Species Asteraceae Eukaryota UNPD*
NPO897 Pinus gerardi Species Pinaceae Eukaryota UNPD*
NPO12220 Hemerocallis thunbergii Species Asphodelaceae Eukaryota UNPD*
NPO678 Streptomyces spiroverticillatus Species Streptomycetaceae Bacteria UNPD*
NPO8232 Sclerocarya caffra Species Anacardiaceae Eukaryota UNPD*
NPO11338 Muricella flexuosa Species Acanthogorgiidae Eukaryota UNPD*
NPO366 Pyrus communis Species Rosaceae Eukaryota UNPD*
NPO10620 Monochoria elata Species Pontederiaceae Eukaryota UNPD*
NPO12404 Trigonostemon chinensis Species Euphorbiaceae Eukaryota UNPD*
NPO13302 Streptomyces nanchangensis Species Streptomycetaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2341 Cell Line NCI-H1975 Homo sapiens IC50 = 5450 nM 24767845
NPT466 Cell Line U-937 Homo sapiens IC50 = 4160 nM 24767845
NPT111 Cell Line K562 Homo sapiens IC50 = 8800 nM 24767845
NPT2 Others Unspecified IC50 = 1960 nM 24767845
NPT112 Cell Line MOLT-4 Homo sapiens IC50 = 1360 nM 24767845
NPT83 Cell Line MCF7 Homo sapiens IC50 = 4320 nM 24767845
NPT116 Cell Line HL-60 Homo sapiens IC50 = 2960 nM 24767845
NPT2 Others Unspecified IC50 = 6330 nM 24767845

  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 NPC284918 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
0.9677 High Similarity NPC34910
0.9677 High Similarity NPC477677
0.9677 High Similarity NPC264756
0.9045 High Similarity NPC272550
0.8854 High Similarity NPC226801
0.8679 High Similarity NPC301233
0.8608 High Similarity NPC475717
0.8562 High Similarity NPC198236
0.8365 Intermediate Similarity NPC172329
0.8365 Intermediate Similarity NPC2569
0.8364 Intermediate Similarity NPC117985
0.8344 Intermediate Similarity NPC154341
0.8333 Intermediate Similarity NPC478231
0.8293 Intermediate Similarity NPC246466
0.8282 Intermediate Similarity NPC326910
0.8282 Intermediate Similarity NPC317585
0.8282 Intermediate Similarity NPC237560
0.8263 Intermediate Similarity NPC249181
0.8232 Intermediate Similarity NPC472050
0.8221 Intermediate Similarity NPC137301
0.8221 Intermediate Similarity NPC55092
0.8214 Intermediate Similarity NPC88243
0.8214 Intermediate Similarity NPC191930
0.821 Intermediate Similarity NPC240768
0.821 Intermediate Similarity NPC70016
0.821 Intermediate Similarity NPC215921
0.821 Intermediate Similarity NPC200773
0.8199 Intermediate Similarity NPC73236
0.8193 Intermediate Similarity NPC130955
0.8193 Intermediate Similarity NPC472055
0.8193 Intermediate Similarity NPC243701
0.8182 Intermediate Similarity NPC263483
0.8171 Intermediate Similarity NPC472890
0.8171 Intermediate Similarity NPC478230
0.8171 Intermediate Similarity NPC99381
0.8171 Intermediate Similarity NPC69043
0.8171 Intermediate Similarity NPC478221
0.8166 Intermediate Similarity NPC20237
0.816 Intermediate Similarity NPC478224
0.816 Intermediate Similarity NPC184284
0.816 Intermediate Similarity NPC76041
0.816 Intermediate Similarity NPC213224
0.816 Intermediate Similarity NPC115249
0.8148 Intermediate Similarity NPC116822
0.8148 Intermediate Similarity NPC472891
0.8141 Intermediate Similarity NPC268691
0.8137 Intermediate Similarity NPC228012
0.8133 Intermediate Similarity NPC470339
0.8125 Intermediate Similarity NPC260946
0.8118 Intermediate Similarity NPC283041
0.8118 Intermediate Similarity NPC473094
0.811 Intermediate Similarity NPC275837
0.811 Intermediate Similarity NPC155686
0.8075 Intermediate Similarity NPC210320
0.8075 Intermediate Similarity NPC146884
0.8075 Intermediate Similarity NPC52106
0.8072 Intermediate Similarity NPC478226
0.8072 Intermediate Similarity NPC473395
0.8072 Intermediate Similarity NPC478225
0.8072 Intermediate Similarity NPC472889
0.807 Intermediate Similarity NPC473096
0.807 Intermediate Similarity NPC473095
0.8063 Intermediate Similarity NPC316535
0.8061 Intermediate Similarity NPC471456
0.8061 Intermediate Similarity NPC79998
0.8061 Intermediate Similarity NPC473241
0.8061 Intermediate Similarity NPC170189
0.8061 Intermediate Similarity NPC208173
0.8061 Intermediate Similarity NPC472887
0.805 Intermediate Similarity NPC472006
0.8049 Intermediate Similarity NPC253904
0.8049 Intermediate Similarity NPC321363
0.8049 Intermediate Similarity NPC256141
0.8049 Intermediate Similarity NPC271681
0.8037 Intermediate Similarity NPC327059
0.8037 Intermediate Similarity NPC469619
0.8037 Intermediate Similarity NPC321387
0.8037 Intermediate Similarity NPC469670
0.8037 Intermediate Similarity NPC179178
0.8037 Intermediate Similarity NPC219330
0.8037 Intermediate Similarity NPC180351
0.8037 Intermediate Similarity NPC158866
0.8036 Intermediate Similarity NPC317544
0.8036 Intermediate Similarity NPC112418
0.8025 Intermediate Similarity NPC153417
0.8025 Intermediate Similarity NPC73411
0.8025 Intermediate Similarity NPC215711
0.8025 Intermediate Similarity NPC37139
0.8024 Intermediate Similarity NPC472886
0.8023 Intermediate Similarity NPC72696
0.8012 Intermediate Similarity NPC225173
0.8012 Intermediate Similarity NPC163846
0.8012 Intermediate Similarity NPC474520
0.8012 Intermediate Similarity NPC107625
0.8012 Intermediate Similarity NPC150227
0.8 Intermediate Similarity NPC198459
0.8 Intermediate Similarity NPC472049
0.8 Intermediate Similarity NPC473976
0.8 Intermediate Similarity NPC58382
0.8 Intermediate Similarity NPC131043
0.8 Intermediate Similarity NPC109812
0.8 Intermediate Similarity NPC313039
0.8 Intermediate Similarity NPC162351
0.8 Intermediate Similarity NPC250557
0.7988 Intermediate Similarity NPC133953
0.7988 Intermediate Similarity NPC132990
0.7988 Intermediate Similarity NPC471229
0.7988 Intermediate Similarity NPC471745
0.7988 Intermediate Similarity NPC50403
0.7988 Intermediate Similarity NPC76376
0.7988 Intermediate Similarity NPC28274
0.7988 Intermediate Similarity NPC46882
0.7987 Intermediate Similarity NPC250755
0.7977 Intermediate Similarity NPC473113
0.7976 Intermediate Similarity NPC471744
0.7976 Intermediate Similarity NPC470810
0.7975 Intermediate Similarity NPC269420
0.7975 Intermediate Similarity NPC237440
0.7975 Intermediate Similarity NPC277032
0.7975 Intermediate Similarity NPC4423
0.7975 Intermediate Similarity NPC109232
0.7975 Intermediate Similarity NPC198927
0.7975 Intermediate Similarity NPC106334
0.7975 Intermediate Similarity NPC230902
0.7975 Intermediate Similarity NPC165172
0.7975 Intermediate Similarity NPC77325
0.7975 Intermediate Similarity NPC270160
0.7975 Intermediate Similarity NPC285527
0.7964 Intermediate Similarity NPC84935
0.7964 Intermediate Similarity NPC78302
0.7964 Intermediate Similarity NPC29841
0.7964 Intermediate Similarity NPC190020
0.7964 Intermediate Similarity NPC7973
0.7964 Intermediate Similarity NPC93376
0.7964 Intermediate Similarity NPC75215
0.7964 Intermediate Similarity NPC476930
0.7964 Intermediate Similarity NPC224137
0.7964 Intermediate Similarity NPC235215
0.7964 Intermediate Similarity NPC472438
0.7964 Intermediate Similarity NPC227192
0.7964 Intermediate Similarity NPC77679
0.7964 Intermediate Similarity NPC189179
0.7963 Intermediate Similarity NPC202494
0.7963 Intermediate Similarity NPC125801
0.7963 Intermediate Similarity NPC472918
0.7952 Intermediate Similarity NPC199926
0.7952 Intermediate Similarity NPC175192
0.7952 Intermediate Similarity NPC279218
0.7952 Intermediate Similarity NPC234485
0.7952 Intermediate Similarity NPC16082
0.7952 Intermediate Similarity NPC82592
0.7952 Intermediate Similarity NPC108937
0.7952 Intermediate Similarity NPC476169
0.7952 Intermediate Similarity NPC68727
0.795 Intermediate Similarity NPC75694
0.795 Intermediate Similarity NPC28632
0.795 Intermediate Similarity NPC312789
0.795 Intermediate Similarity NPC328623
0.7941 Intermediate Similarity NPC476822
0.7939 Intermediate Similarity NPC470340
0.7939 Intermediate Similarity NPC113608
0.7939 Intermediate Similarity NPC123886
0.7939 Intermediate Similarity NPC175978
0.7939 Intermediate Similarity NPC268992
0.7939 Intermediate Similarity NPC51824
0.7939 Intermediate Similarity NPC470337
0.7939 Intermediate Similarity NPC45934
0.7939 Intermediate Similarity NPC210597
0.7939 Intermediate Similarity NPC289968
0.7939 Intermediate Similarity NPC470338
0.7939 Intermediate Similarity NPC142527
0.7937 Intermediate Similarity NPC1534
0.7937 Intermediate Similarity NPC51106
0.7927 Intermediate Similarity NPC56204
0.7927 Intermediate Similarity NPC470908
0.7927 Intermediate Similarity NPC239363
0.7927 Intermediate Similarity NPC166753
0.7927 Intermediate Similarity NPC164762
0.7927 Intermediate Similarity NPC164527
0.7927 Intermediate Similarity NPC267117
0.7927 Intermediate Similarity NPC119929
0.7927 Intermediate Similarity NPC213382
0.7927 Intermediate Similarity NPC295036
0.7927 Intermediate Similarity NPC50728
0.7925 Intermediate Similarity NPC67650
0.7925 Intermediate Similarity NPC90411
0.7925 Intermediate Similarity NPC1704
0.7917 Intermediate Similarity NPC18772
0.7917 Intermediate Similarity NPC288669
0.7917 Intermediate Similarity NPC22472
0.7917 Intermediate Similarity NPC25495
0.7917 Intermediate Similarity NPC191459
0.7917 Intermediate Similarity NPC105242
0.7917 Intermediate Similarity NPC18607
0.7917 Intermediate Similarity NPC176300
0.7917 Intermediate Similarity NPC4481
0.7917 Intermediate Similarity NPC152904
0.7917 Intermediate Similarity NPC130894
0.7917 Intermediate Similarity NPC152166
0.7917 Intermediate Similarity NPC204854

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC284918 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
0.7988 Intermediate Similarity NPD6232 Discontinued
0.7953 Intermediate Similarity NPD7473 Discontinued
0.7952 Intermediate Similarity NPD3817 Phase 2
0.795 Intermediate Similarity NPD2532 Approved
0.795 Intermediate Similarity NPD2534 Approved
0.795 Intermediate Similarity NPD2533 Approved
0.7911 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7874 Intermediate Similarity NPD5953 Discontinued
0.7857 Intermediate Similarity NPD7075 Discontinued
0.7844 Intermediate Similarity NPD5402 Approved
0.784 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD6599 Discontinued
0.7812 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD3882 Suspended
0.7784 Intermediate Similarity NPD2801 Approved
0.7778 Intermediate Similarity NPD6799 Approved
0.7725 Intermediate Similarity NPD6801 Discontinued
0.7711 Intermediate Similarity NPD4380 Phase 2
0.7707 Intermediate Similarity NPD1607 Approved
0.7683 Intermediate Similarity NPD1512 Approved
0.7679 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD7286 Phase 2
0.7636 Intermediate Similarity NPD5403 Approved
0.7619 Intermediate Similarity NPD1934 Approved
0.761 Intermediate Similarity NPD1510 Phase 2
0.76 Intermediate Similarity NPD3818 Discontinued
0.7588 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD6166 Phase 2
0.7586 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD1240 Approved
0.7574 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD1511 Approved
0.7544 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD5401 Approved
0.7472 Intermediate Similarity NPD6797 Phase 2
0.7471 Intermediate Similarity NPD7819 Suspended
0.7458 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD1551 Phase 2
0.7453 Intermediate Similarity NPD2935 Discontinued
0.744 Intermediate Similarity NPD3226 Approved
0.743 Intermediate Similarity NPD7251 Discontinued
0.743 Intermediate Similarity NPD6559 Discontinued
0.741 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7808 Phase 3
0.7378 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD5711 Approved
0.7371 Intermediate Similarity NPD5710 Approved
0.736 Intermediate Similarity NPD7054 Approved
0.7353 Intermediate Similarity NPD7411 Suspended
0.7318 Intermediate Similarity NPD7472 Approved
0.7318 Intermediate Similarity NPD7074 Phase 3
0.7317 Intermediate Similarity NPD2800 Approved
0.7317 Intermediate Similarity NPD1652 Phase 2
0.7314 Intermediate Similarity NPD6959 Discontinued
0.7312 Intermediate Similarity NPD230 Phase 1
0.7301 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD919 Approved
0.7273 Intermediate Similarity NPD7229 Phase 3
0.7267 Intermediate Similarity NPD6651 Approved
0.7256 Intermediate Similarity NPD1549 Phase 2
0.7241 Intermediate Similarity NPD3749 Approved
0.7239 Intermediate Similarity NPD2796 Approved
0.7239 Intermediate Similarity NPD6099 Approved
0.7239 Intermediate Similarity NPD6100 Approved
0.7232 Intermediate Similarity NPD3926 Phase 2
0.7219 Intermediate Similarity NPD920 Approved
0.7219 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD1243 Approved
0.7205 Intermediate Similarity NPD447 Suspended
0.7178 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD3750 Approved
0.7169 Intermediate Similarity NPD4628 Phase 3
0.7168 Intermediate Similarity NPD1465 Phase 2
0.716 Intermediate Similarity NPD5049 Phase 3
0.715 Intermediate Similarity NPD7435 Discontinued
0.7143 Intermediate Similarity NPD6971 Discontinued
0.7143 Intermediate Similarity NPD943 Approved
0.7135 Intermediate Similarity NPD8434 Phase 2
0.7135 Intermediate Similarity NPD8150 Discontinued
0.7126 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD1247 Approved
0.7101 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD2346 Discontinued
0.7083 Intermediate Similarity NPD6780 Approved
0.7083 Intermediate Similarity NPD6776 Approved
0.7083 Intermediate Similarity NPD6781 Approved
0.7083 Intermediate Similarity NPD6778 Approved
0.7083 Intermediate Similarity NPD6777 Approved
0.7083 Intermediate Similarity NPD6779 Approved
0.7083 Intermediate Similarity NPD6782 Approved
0.7073 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD5844 Phase 1
0.7062 Intermediate Similarity NPD5494 Approved
0.7041 Intermediate Similarity NPD7390 Discontinued
0.7019 Intermediate Similarity NPD411 Approved
0.7019 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD2313 Discontinued
0.7011 Intermediate Similarity NPD37 Approved
0.7006 Intermediate Similarity NPD6234 Discontinued
0.6994 Remote Similarity NPD4340 Discontinued
0.6989 Remote Similarity NPD7768 Phase 2
0.6989 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6982 Remote Similarity NPD643 Clinical (unspecified phase)
0.6973 Remote Similarity NPD8313 Approved
0.6973 Remote Similarity NPD8312 Approved
0.697 Remote Similarity NPD4308 Phase 3
0.697 Remote Similarity NPD7033 Discontinued
0.6943 Remote Similarity NPD9717 Approved
0.6941 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6935 Remote Similarity NPD7874 Approved
0.6935 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6928 Remote Similarity NPD9493 Approved
0.6923 Remote Similarity NPD6190 Approved
0.6923 Remote Similarity NPD3751 Discontinued
0.6918 Remote Similarity NPD1203 Approved
0.6906 Remote Similarity NPD2403 Approved
0.6905 Remote Similarity NPD2654 Approved
0.6905 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6901 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6894 Remote Similarity NPD6832 Phase 2
0.6893 Remote Similarity NPD4965 Approved
0.6893 Remote Similarity NPD4966 Approved
0.6893 Remote Similarity NPD4967 Phase 2
0.6888 Remote Similarity NPD7696 Phase 3
0.6888 Remote Similarity NPD7697 Approved
0.6888 Remote Similarity NPD7698 Approved
0.6886 Remote Similarity NPD2344 Approved
0.6884 Remote Similarity NPD8151 Discontinued
0.6878 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2798 Approved
0.6867 Remote Similarity NPD3748 Approved
0.6867 Remote Similarity NPD2799 Discontinued
0.6865 Remote Similarity NPD6764 Approved
0.6865 Remote Similarity NPD6765 Approved
0.6853 Remote Similarity NPD7870 Phase 2
0.6853 Remote Similarity NPD7871 Phase 2
0.6851 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6835 Remote Similarity NPD9269 Phase 2
0.6834 Remote Similarity NPD7701 Phase 2
0.6823 Remote Similarity NPD6534 Approved
0.6823 Remote Similarity NPD6535 Approved
0.681 Remote Similarity NPD3268 Approved
0.6796 Remote Similarity NPD3787 Discontinued
0.6792 Remote Similarity NPD4749 Approved
0.6788 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6772 Remote Similarity NPD422 Phase 1
0.6768 Remote Similarity NPD8320 Phase 1
0.6768 Remote Similarity NPD8319 Approved
0.6743 Remote Similarity NPD7458 Discontinued
0.674 Remote Similarity NPD7199 Phase 2
0.6739 Remote Similarity NPD7228 Approved
0.6733 Remote Similarity NPD7801 Approved
0.673 Remote Similarity NPD1608 Approved
0.6727 Remote Similarity NPD4307 Phase 2
0.6725 Remote Similarity NPD2309 Approved
0.6722 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6721 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6718 Remote Similarity NPD7700 Phase 2
0.6718 Remote Similarity NPD7699 Phase 2
0.6708 Remote Similarity NPD2797 Approved
0.6708 Remote Similarity NPD1470 Approved
0.6706 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6688 Remote Similarity NPD9268 Approved
0.6687 Remote Similarity NPD6355 Discontinued
0.6687 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6686 Remote Similarity NPD7440 Discontinued
0.6684 Remote Similarity NPD7685 Pre-registration
0.665 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6649 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6648 Remote Similarity NPD5353 Approved
0.6646 Remote Similarity NPD1778 Approved
0.6646 Remote Similarity NPD3027 Phase 3
0.6633 Remote Similarity NPD7680 Approved
0.6628 Remote Similarity NPD2354 Approved
0.6627 Remote Similarity NPD5406 Approved
0.6627 Remote Similarity NPD5408 Approved
0.6627 Remote Similarity NPD2531 Phase 2
0.6627 Remote Similarity NPD5404 Approved
0.6627 Remote Similarity NPD5405 Approved
0.6626 Remote Similarity NPD9494 Approved
0.6624 Remote Similarity NPD9545 Approved
0.6606 Remote Similarity NPD6798 Discontinued
0.6606 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6606 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6606 Remote Similarity NPD1296 Phase 2
0.6606 Remote Similarity NPD3764 Approved
0.6603 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6591 Remote Similarity NPD1653 Approved
0.659 Remote Similarity NPD3300 Phase 2
0.6588 Remote Similarity NPD1471 Phase 3
0.6588 Remote Similarity NPD3540 Phase 1
0.6588 Remote Similarity NPD2343 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   86294773
ChEMBL   CHEMBL3263078
ZINC  

Physicochemical Properties

Molecular Weight:  394.07
ALogP:  -0.0401
MLogP:  2.45
XLogP:  0.474
# Rotatable Bonds:  11
Polar Surface Area:  144.66
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  27

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Biological Activities  
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