Natural Product: NPC90336

Natural Product ID:  NPC90336
Common Name:   1-O-Formylaglafoline
IUPAC Name:   methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Synonyms:   1-O-Formylaglafoline; Methyl 1-Formyloxyrocaglate
Molecular Formula:   C29H28O9
Standard InCHIKey:  HMAGEEKSMOZIOP-IDAMAFBJSA-N
Standard InCHI:  InChI=1S/C29H28O9/c1-33-19-12-10-18(11-13-19)29-24(17-8-6-5-7-9-17)23(27(31)36-4)26(37-16-30)28(29,32)25-21(35-3)14-20(34-2)15-22(25)38-29/h5-16,23-24,26,32H,1-4H3/t23-,24-,26-,28+,29+/m1/s1
Canonical SMILES:  O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc(cc1)OC)c1ccccc1
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
NPO4720 Aglaia perviridis Species Meliaceae Eukaryota leaves, twigs, and fruits Nui Chua National Park (11° 43' N; 109° 08' E; 730 m alt.), Ninh Thuan Province, Vietnam 2010-JAN PMID[23301897]
NPO993 Phaseolus coccineus Species Fabaceae Eukaryota UNPD*
NPO18130.1 Erophaca baetica subsp. baetica Subspecies Fabaceae Eukaryota UNPD*
NPO20667 Cereus queretaroensis Species Sagartiidae Eukaryota UNPD*
NPO21152 Senecio asper Species Asteraceae Eukaryota UNPD*
NPO19682 Duguetia chrysocarpa Species Annonaceae Eukaryota UNPD*
NPO20222 Franseria ambrosioides NA NA NA UNPD*
NPO18179 Leucopaxillus amarus Species Tricholomataceae Eukaryota UNPD*
NPO22318 Sechium edule Species Cucurbitaceae Eukaryota UNPD*
NPO23092 Ammodendron karelinii Species Fabaceae Eukaryota UNPD*
NPO6578 Aglaia dasyclada Species Meliaceae Eukaryota UNPD*
NPO27623 Citrus japonica Species Rutaceae Eukaryota UNPD*
NPO21632 Chlorobium phaeovibrioides Species Chlorobiaceae Bacteria UNPD*
NPO7864 Pyrola media Species Ericaceae Eukaryota UNPD*
NPO28052 Miriquidica leucophaea Species Lecanoraceae Eukaryota UNPD*
NPO13294 Pinus yunnanensis Species Pinaceae Eukaryota UNPD*
NPO23171 Hygrophorus olivaceoalbus Species Hygrophoraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 3000 nM 19655762
NPT721 Individual Protein Nuclear factor NF-kappa-B p65 subunit Homo sapiens ED50 > 0.02 nM 23301897
NPT2 Others Unspecified ED50 > 0.05 nM 23301897
NPT139 Cell Line HT-29 Homo sapiens ED50 = 0.019 nM 23301897

  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 NPC90336 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
0.9868 High Similarity NPC329743
0.9804 High Similarity NPC73422
0.9804 High Similarity NPC310399
0.9739 High Similarity NPC209473
0.9379 High Similarity NPC149502
0.9379 High Similarity NPC271755
0.9379 High Similarity NPC254071
0.9379 High Similarity NPC222665
0.9325 High Similarity NPC263955
0.9207 High Similarity NPC23593
0.9152 High Similarity NPC29587
0.9146 High Similarity NPC107739
0.9145 High Similarity NPC20360
0.9096 High Similarity NPC236089
0.8758 High Similarity NPC184607
0.8693 High Similarity NPC470937
0.865 High Similarity NPC92589
0.8588 High Similarity NPC206061
0.8452 Intermediate Similarity NPC307287
0.8443 Intermediate Similarity NPC475621
0.8354 Intermediate Similarity NPC212697
0.8333 Intermediate Similarity NPC473236
0.8313 Intermediate Similarity NPC186228
0.8297 Intermediate Similarity NPC169605
0.8294 Intermediate Similarity NPC91043
0.8293 Intermediate Similarity NPC321372
0.8293 Intermediate Similarity NPC474609
0.8293 Intermediate Similarity NPC165483
0.8293 Intermediate Similarity NPC475797
0.8293 Intermediate Similarity NPC474738
0.8293 Intermediate Similarity NPC189730
0.8293 Intermediate Similarity NPC78554
0.8293 Intermediate Similarity NPC129053
0.8293 Intermediate Similarity NPC109967
0.8293 Intermediate Similarity NPC469936
0.8272 Intermediate Similarity NPC51543
0.8258 Intermediate Similarity NPC308709
0.8232 Intermediate Similarity NPC164152
0.8232 Intermediate Similarity NPC108937
0.8232 Intermediate Similarity NPC279218
0.8221 Intermediate Similarity NPC87363
0.8214 Intermediate Similarity NPC91288
0.8207 Intermediate Similarity NPC258128
0.8199 Intermediate Similarity NPC125570
0.8187 Intermediate Similarity NPC469700
0.8187 Intermediate Similarity NPC120220
0.8182 Intermediate Similarity NPC55463
0.8182 Intermediate Similarity NPC166116
0.8176 Intermediate Similarity NPC167231
0.8176 Intermediate Similarity NPC215802
0.816 Intermediate Similarity NPC476434
0.816 Intermediate Similarity NPC56184
0.816 Intermediate Similarity NPC472636
0.816 Intermediate Similarity NPC471675
0.8155 Intermediate Similarity NPC93215
0.8155 Intermediate Similarity NPC476244
0.8142 Intermediate Similarity NPC235698
0.814 Intermediate Similarity NPC472584
0.8121 Intermediate Similarity NPC469934
0.811 Intermediate Similarity NPC473996
0.811 Intermediate Similarity NPC476238
0.811 Intermediate Similarity NPC327269
0.811 Intermediate Similarity NPC31627
0.8107 Intermediate Similarity NPC223006
0.8107 Intermediate Similarity NPC173729
0.8107 Intermediate Similarity NPC134047
0.8107 Intermediate Similarity NPC471286
0.8107 Intermediate Similarity NPC272750
0.8103 Intermediate Similarity NPC312630
0.8103 Intermediate Similarity NPC324220
0.8098 Intermediate Similarity NPC475379
0.8098 Intermediate Similarity NPC472421
0.8095 Intermediate Similarity NPC124747
0.8095 Intermediate Similarity NPC155754
0.8095 Intermediate Similarity NPC97812
0.8095 Intermediate Similarity NPC109061
0.8084 Intermediate Similarity NPC98083
0.8084 Intermediate Similarity NPC166456
0.8084 Intermediate Similarity NPC50430
0.8084 Intermediate Similarity NPC7543
0.8084 Intermediate Similarity NPC94220
0.8084 Intermediate Similarity NPC24339
0.8072 Intermediate Similarity NPC470625
0.8072 Intermediate Similarity NPC471787
0.8072 Intermediate Similarity NPC475378
0.8072 Intermediate Similarity NPC127406
0.807 Intermediate Similarity NPC476459
0.8061 Intermediate Similarity NPC136757
0.8049 Intermediate Similarity NPC471229
0.8049 Intermediate Similarity NPC477699
0.8049 Intermediate Similarity NPC317715
0.8049 Intermediate Similarity NPC200773
0.8049 Intermediate Similarity NPC474744
0.8049 Intermediate Similarity NPC316960
0.8049 Intermediate Similarity NPC148945
0.8049 Intermediate Similarity NPC240768
0.8049 Intermediate Similarity NPC474772
0.8049 Intermediate Similarity NPC472580
0.8049 Intermediate Similarity NPC472423
0.8049 Intermediate Similarity NPC204561
0.8049 Intermediate Similarity NPC290671
0.8049 Intermediate Similarity NPC295650
0.8049 Intermediate Similarity NPC309512
0.8049 Intermediate Similarity NPC78835
0.8047 Intermediate Similarity NPC144557
0.8047 Intermediate Similarity NPC310603
0.8037 Intermediate Similarity NPC277032
0.8036 Intermediate Similarity NPC74749
0.8036 Intermediate Similarity NPC119910
0.8036 Intermediate Similarity NPC43971
0.8036 Intermediate Similarity NPC476337
0.8036 Intermediate Similarity NPC53889
0.8036 Intermediate Similarity NPC470810
0.8036 Intermediate Similarity NPC19554
0.8036 Intermediate Similarity NPC472055
0.8025 Intermediate Similarity NPC14875
0.8024 Intermediate Similarity NPC38779
0.8024 Intermediate Similarity NPC19947
0.8024 Intermediate Similarity NPC114179
0.8024 Intermediate Similarity NPC207584
0.8024 Intermediate Similarity NPC160512
0.8024 Intermediate Similarity NPC43638
0.8024 Intermediate Similarity NPC68324
0.8024 Intermediate Similarity NPC289322
0.8024 Intermediate Similarity NPC156818
0.8023 Intermediate Similarity NPC186746
0.8023 Intermediate Similarity NPC217378
0.8021 Intermediate Similarity NPC293347
0.8012 Intermediate Similarity NPC316535
0.8012 Intermediate Similarity NPC473241
0.8012 Intermediate Similarity NPC311144
0.8012 Intermediate Similarity NPC474542
0.8012 Intermediate Similarity NPC43065
0.8012 Intermediate Similarity NPC476277
0.8012 Intermediate Similarity NPC82330
0.8 Intermediate Similarity NPC477957
0.8 Intermediate Similarity NPC285623
0.8 Intermediate Similarity NPC178574
0.8 Intermediate Similarity NPC214279
0.8 Intermediate Similarity NPC65591
0.8 Intermediate Similarity NPC210597
0.7988 Intermediate Similarity NPC327059
0.7988 Intermediate Similarity NPC321387
0.7988 Intermediate Similarity NPC476509
0.7988 Intermediate Similarity NPC96031
0.7988 Intermediate Similarity NPC267117
0.7988 Intermediate Similarity NPC288149
0.7988 Intermediate Similarity NPC14822
0.7988 Intermediate Similarity NPC469889
0.7977 Intermediate Similarity NPC477883
0.7977 Intermediate Similarity NPC287884
0.7977 Intermediate Similarity NPC8704
0.7977 Intermediate Similarity NPC472159
0.7977 Intermediate Similarity NPC180768
0.7976 Intermediate Similarity NPC40583
0.7976 Intermediate Similarity NPC87317
0.7976 Intermediate Similarity NPC308265
0.7976 Intermediate Similarity NPC43761
0.7976 Intermediate Similarity NPC470339
0.7975 Intermediate Similarity NPC477698
0.7964 Intermediate Similarity NPC291948
0.7964 Intermediate Similarity NPC20530
0.7964 Intermediate Similarity NPC300845
0.7964 Intermediate Similarity NPC250436
0.7964 Intermediate Similarity NPC88803
0.7964 Intermediate Similarity NPC198489
0.7964 Intermediate Similarity NPC104983
0.7964 Intermediate Similarity NPC478055
0.7964 Intermediate Similarity NPC61112
0.7964 Intermediate Similarity NPC149368
0.7964 Intermediate Similarity NPC215917
0.7964 Intermediate Similarity NPC32373
0.7964 Intermediate Similarity NPC10754
0.7964 Intermediate Similarity NPC237946
0.7964 Intermediate Similarity NPC265480
0.7963 Intermediate Similarity NPC299011
0.7962 Intermediate Similarity NPC474687
0.7953 Intermediate Similarity NPC72016
0.7953 Intermediate Similarity NPC329215
0.7953 Intermediate Similarity NPC318472
0.7953 Intermediate Similarity NPC204088
0.7953 Intermediate Similarity NPC222531
0.7953 Intermediate Similarity NPC259007
0.7952 Intermediate Similarity NPC62903
0.7952 Intermediate Similarity NPC203080
0.7952 Intermediate Similarity NPC303950
0.7952 Intermediate Similarity NPC106625
0.7952 Intermediate Similarity NPC100134
0.7952 Intermediate Similarity NPC209760
0.7952 Intermediate Similarity NPC273578
0.7952 Intermediate Similarity NPC7178
0.795 Intermediate Similarity NPC223185
0.795 Intermediate Similarity NPC113770
0.7943 Intermediate Similarity NPC472158
0.7941 Intermediate Similarity NPC174311
0.7941 Intermediate Similarity NPC164937
0.7941 Intermediate Similarity NPC472876
0.7941 Intermediate Similarity NPC55121
0.7939 Intermediate Similarity NPC471677
0.7939 Intermediate Similarity NPC471676

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC90336 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
0.8537 High Similarity NPD7199 Phase 2
0.8434 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7976 Intermediate Similarity NPD6234 Discontinued
0.7974 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD4965 Approved
0.7964 Intermediate Similarity NPD4967 Phase 2
0.7964 Intermediate Similarity NPD4966 Approved
0.7964 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD7075 Discontinued
0.7911 Intermediate Similarity NPD6002 Phase 3
0.7911 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7911 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7911 Intermediate Similarity NPD6005 Phase 3
0.7911 Intermediate Similarity NPD6004 Phase 3
0.7898 Intermediate Similarity NPD7033 Discontinued
0.7892 Intermediate Similarity NPD37 Approved
0.7844 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD7411 Suspended
0.7821 Intermediate Similarity NPD6355 Discontinued
0.7811 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD6801 Discontinued
0.7759 Intermediate Similarity NPD3818 Discontinued
0.7742 Intermediate Similarity NPD6798 Discontinued
0.7733 Intermediate Similarity NPD7229 Phase 3
0.773 Intermediate Similarity NPD6799 Approved
0.7706 Intermediate Similarity NPD3749 Approved
0.7692 Intermediate Similarity NPD3817 Phase 2
0.7684 Intermediate Similarity NPD6559 Discontinued
0.7679 Intermediate Similarity NPD1934 Approved
0.7665 Intermediate Similarity NPD4380 Phase 2
0.7665 Intermediate Similarity NPD6599 Discontinued
0.7657 Intermediate Similarity NPD7228 Approved
0.7644 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD6166 Phase 2
0.7633 Intermediate Similarity NPD5761 Phase 2
0.7633 Intermediate Similarity NPD7819 Suspended
0.7633 Intermediate Similarity NPD5760 Phase 2
0.7633 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD6232 Discontinued
0.7613 Intermediate Similarity NPD4908 Phase 1
0.76 Intermediate Similarity NPD7473 Discontinued
0.7597 Intermediate Similarity NPD5647 Approved
0.7584 Intermediate Similarity NPD7685 Pre-registration
0.758 Intermediate Similarity NPD6233 Phase 2
0.7578 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD4628 Phase 3
0.7544 Intermediate Similarity NPD3882 Suspended
0.7544 Intermediate Similarity NPD7768 Phase 2
0.7543 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD1549 Phase 2
0.7529 Intermediate Similarity NPD8455 Phase 2
0.7529 Intermediate Similarity NPD2801 Approved
0.7516 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD2796 Approved
0.7515 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD5494 Approved
0.7514 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD5844 Phase 1
0.7485 Intermediate Similarity NPD5402 Approved
0.7485 Intermediate Similarity NPD5403 Approved
0.7485 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD7074 Phase 3
0.7444 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD6653 Approved
0.743 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD3787 Discontinued
0.7416 Intermediate Similarity NPD7054 Approved
0.7389 Intermediate Similarity NPD7240 Approved
0.7381 Intermediate Similarity NPD920 Approved
0.7381 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD8434 Phase 2
0.7374 Intermediate Similarity NPD7472 Approved
0.7371 Intermediate Similarity NPD6959 Discontinued
0.7365 Intermediate Similarity NPD5401 Approved
0.7365 Intermediate Similarity NPD2533 Approved
0.7365 Intermediate Similarity NPD2534 Approved
0.7365 Intermediate Similarity NPD2532 Approved
0.7362 Intermediate Similarity NPD5763 Approved
0.7362 Intermediate Similarity NPD5762 Approved
0.7346 Intermediate Similarity NPD1510 Phase 2
0.7333 Intermediate Similarity NPD3750 Approved
0.7333 Intermediate Similarity NPD6797 Phase 2
0.7317 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD2797 Approved
0.7305 Intermediate Similarity NPD1511 Approved
0.7301 Intermediate Similarity NPD6100 Approved
0.7301 Intermediate Similarity NPD6099 Approved
0.7301 Intermediate Similarity NPD1551 Phase 2
0.7296 Intermediate Similarity NPD3268 Approved
0.7293 Intermediate Similarity NPD7251 Discontinued
0.7284 Intermediate Similarity NPD7097 Phase 1
0.7273 Intermediate Similarity NPD1610 Phase 2
0.7263 Intermediate Similarity NPD3751 Discontinued
0.7262 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD7808 Phase 3
0.7229 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1608 Approved
0.7225 Intermediate Similarity NPD1465 Phase 2
0.7219 Intermediate Similarity NPD1512 Approved
0.7215 Intermediate Similarity NPD2861 Phase 2
0.7205 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD1613 Approved
0.7205 Intermediate Similarity NPD1240 Approved
0.7186 Intermediate Similarity NPD6190 Approved
0.7175 Intermediate Similarity NPD8127 Discontinued
0.7169 Intermediate Similarity NPD2800 Approved
0.716 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD5124 Phase 1
0.7143 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD3748 Approved
0.7134 Intermediate Similarity NPD2799 Discontinued
0.7128 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD7095 Approved
0.712 Intermediate Similarity NPD8312 Approved
0.712 Intermediate Similarity NPD8313 Approved
0.7118 Intermediate Similarity NPD6273 Approved
0.7117 Intermediate Similarity NPD1607 Approved
0.7108 Intermediate Similarity NPD5958 Discontinued
0.7099 Intermediate Similarity NPD4140 Approved
0.7099 Intermediate Similarity NPD4060 Phase 1
0.7095 Intermediate Similarity NPD3926 Phase 2
0.7093 Intermediate Similarity NPD3226 Approved
0.7089 Intermediate Similarity NPD6362 Approved
0.7081 Intermediate Similarity NPD3764 Approved
0.7066 Intermediate Similarity NPD1652 Phase 2
0.7066 Intermediate Similarity NPD1243 Approved
0.7063 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD919 Approved
0.7055 Intermediate Similarity NPD5735 Approved
0.7049 Intermediate Similarity NPD5953 Discontinued
0.7048 Intermediate Similarity NPD2344 Approved
0.7048 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD4062 Phase 3
0.7032 Intermediate Similarity NPD17 Approved
0.7024 Intermediate Similarity NPD4110 Phase 3
0.7024 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD3027 Phase 3
0.7013 Intermediate Similarity NPD1548 Phase 1
0.7011 Intermediate Similarity NPD6764 Approved
0.7011 Intermediate Similarity NPD6765 Approved
0.7 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7458 Discontinued
0.6989 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6988 Remote Similarity NPD2935 Discontinued
0.6981 Remote Similarity NPD3267 Approved
0.6981 Remote Similarity NPD3266 Approved
0.6979 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6973 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6832 Phase 2
0.6944 Remote Similarity NPD7315 Approved
0.6943 Remote Similarity NPD422 Phase 1
0.694 Remote Similarity NPD7286 Phase 2
0.6939 Remote Similarity NPD7680 Approved
0.6936 Remote Similarity NPD1653 Approved
0.6933 Remote Similarity NPD6663 Approved
0.6927 Remote Similarity NPD6746 Phase 2
0.6923 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6918 Remote Similarity NPD3225 Approved
0.6907 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4534 Discontinued
0.6905 Remote Similarity NPD2424 Discontinued
0.6897 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6889 Remote Similarity NPD1247 Approved
0.6885 Remote Similarity NPD7799 Discontinued
0.6882 Remote Similarity NPD2309 Approved
0.6872 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6871 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6871 Remote Similarity NPD2313 Discontinued
0.6866 Remote Similarity NPD7783 Phase 2
0.6866 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6862 Remote Similarity NPD6784 Approved
0.6862 Remote Similarity NPD6785 Approved
0.6857 Remote Similarity NPD7028 Phase 2
0.6855 Remote Similarity NPD4749 Approved
0.6853 Remote Similarity NPD7497 Discontinued
0.6851 Remote Similarity NPD5710 Approved
0.6851 Remote Similarity NPD5711 Approved
0.6848 Remote Similarity NPD230 Phase 1
0.6842 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4287 Approved
0.6835 Remote Similarity NPD1091 Approved
0.6832 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8032 Phase 2
0.6826 Remote Similarity NPD4308 Phase 3
0.6824 Remote Similarity NPD7466 Approved
0.6816 Remote Similarity NPD6971 Discontinued
0.681 Remote Similarity NPD4625 Phase 3
0.6807 Remote Similarity NPD6353 Approved
0.6795 Remote Similarity NPD1894 Discontinued
0.6791 Remote Similarity NPD7549 Discontinued
0.679 Remote Similarity NPD5736 Approved
0.6786 Remote Similarity NPD2438 Suspended

Structure

External Identifiers

PubChem CID   10839697
ChEMBL   CHEMBL558707
ZINC  

Physicochemical Properties

Molecular Weight:  520.17
ALogP:  -1.8144
MLogP:  3.66
XLogP:  5.042
# Rotatable Bonds:  14
Polar Surface Area:  109.75
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  38

Download Data

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