Natural Product: NPC244441

Natural Product ID:  NPC244441
Common Name:   Malabaricone C
IUPAC Name:   1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one
Synonyms:   Malabaricone C
Molecular Formula:   C21H26O5
Standard InCHIKey:  HCOZRFYGIFMIEX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
Canonical SMILES:  Oc1cc(CCCCCCCCC(=O)c2c(O)cccc2O)ccc1O
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
NPO14474 Klasea sogdiana Species Asteraceae Eukaryota UNPD*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota PMID[1955885]
NPO8263 Asclepias vestita Species Apocynaceae Eukaryota UNPD*
NPO28409 Lens phaseoloides Species Fabaceae Eukaryota UNPD*
NPO16424 Myristica cinnamomea Species Myristicaceae Eukaryota bark PMID[21910441]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TCM_Taiwan*
NPO2665 Andinobates fulguritus Species Dendrobatidae Eukaryota UNPD*
NPO8532 Helipterum tenellum Species Asteraceae Eukaryota UNPD*
NPO5334 Rhodotypos scandens Species Rosaceae Eukaryota UNPD*
NPO7237 Xanthostemon oppositifolius Species Myrtaceae Eukaryota UNPD*
NPO8303 Catalpa bignonioides Species Bignoniaceae Eukaryota UNPD*
NPO7393 Esenbeckia nesiotica Species Rutaceae Eukaryota UNPD*
NPO490 Lophozonia menziesii Species Nothofagaceae Eukaryota UNPD*
NPO5746 Pancratium trianthum Species Amaryllidaceae Eukaryota UNPD*
NPO19928 Lachnoanaerobaculum saburreum Species Lachnospiraceae Bacteria UNPD*
NPO17811 Cephalonoplos segetum Species Asteraceae Eukaryota UNPD*
NPO6113 Piper pedicellosum Species Piperaceae Eukaryota UNPD*
NPO1382 Hyptis tomentosa Species Lamiaceae Eukaryota UNPD*
NPO29659 Myristicae semen NA NA NA TCMSP*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TM-MC*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota UNPD*
NPO4539 Ipomoea cristulata Species Convolvulaceae Eukaryota UNPD*
NPO5162 Comaster multifida Species Comatulidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 2 ug/ml 1955885
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 1955885
NPT3730 Organism Enterococcus durans Enterococcus durans MIC = 4 ug/ml 1955885
NPT20 Organism Candida albicans Candida albicans MIC = 8 ug/ml 1955885
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 8 ug/ml 1955885
NPT3730 Organism Enterococcus durans Enterococcus durans MIC = 8 ug/ml 1955885
NPT20 Organism Candida albicans Candida albicans MIC = 32 ug/ml 1955885
NPT317 Uncleic Acid Nucleic Acid Activity = 76.2 % 20805034
NPT317 Uncleic Acid Nucleic Acid Activity = 98.5 % 20805034
NPT317 Uncleic Acid Nucleic Acid Activity = 93.1 % 20805034
NPT317 Uncleic Acid Nucleic Acid Activity = 82 % 20805034
NPT1881 Uncleic Acid Calf thymus DNA Bos taurus Activity = 24.4 % 20805034
NPT2 Others Unspecified Activity = 42 % 20805034
NPT2 Others Unspecified Activity = 85 % 20805034
NPT83 Cell Line MCF7 Homo sapiens IC50 = 5260 nM 20805034
NPT83 Cell Line MCF7 Homo sapiens Activity = 26 % 20805034
NPT83 Cell Line MCF7 Homo sapiens Activity = 50 % 20805034
NPT83 Cell Line MCF7 Homo sapiens Activity = 71 % 20805034
NPT83 Cell Line MCF7 Homo sapiens Activity = 75.32 % 20805034
NPT83 Cell Line MCF7 Homo sapiens Activity = 45.32 % 20805034
NPT317 Uncleic Acid Nucleic Acid Activity = 1.25 nM 20805034
NPT2 Others Unspecified Inhibition = 69.4 % 21910441
NPT2 Others Unspecified Inhibition = 63 % 21910441
NPT2 Others Unspecified Inhibition = 44.9 % 21910441
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 2300 nM 21978676
NPT67 Individual Protein Cholinesterase Equus caballus IC50 = 2800 nM 27236720
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 1940 nM 27236720
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 94.13 % 27236720
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Inhibition = 97.09 % 27236720
NPT2 Others Unspecified Ratio IC50 = 1.44 27236720
NPT2 Others Unspecified Ratio IC50 = 0.69 27236720
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Ki = 5860 nM 27236720
NPT67 Individual Protein Cholinesterase Equus caballus Ki = 11460 nM 27236720

  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 NPC244441 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
0.968 High Similarity NPC233056
0.9535 High Similarity NPC264112
0.9535 High Similarity NPC194764
0.9535 High Similarity NPC65005
0.9528 High Similarity NPC135801
0.9524 High Similarity NPC26697
0.9462 High Similarity NPC290030
0.9449 High Similarity NPC469526
0.9449 High Similarity NPC34070
0.9318 High Similarity NPC472903
0.9268 High Similarity NPC196976
0.9179 High Similarity NPC472904
0.9134 High Similarity NPC107672
0.9098 High Similarity NPC175552
0.9055 High Similarity NPC8745
0.9048 High Similarity NPC13238
0.9024 High Similarity NPC195262
0.9024 High Similarity NPC188814
0.9023 High Similarity NPC170742
0.8992 High Similarity NPC92624
0.8976 High Similarity NPC10926
0.8963 High Similarity NPC203063
0.896 High Similarity NPC242895
0.8947 High Similarity NPC223836
0.8923 High Similarity NPC259942
0.8906 High Similarity NPC267846
0.8905 High Similarity NPC471417
0.8889 High Similarity NPC133909
0.8889 High Similarity NPC32032
0.8846 High Similarity NPC474998
0.8846 High Similarity NPC109123
0.8837 High Similarity NPC100067
0.8837 High Similarity NPC98254
0.8837 High Similarity NPC116513
0.8837 High Similarity NPC105157
0.8837 High Similarity NPC30501
0.8837 High Similarity NPC23126
0.8837 High Similarity NPC103356
0.8837 High Similarity NPC72158
0.8837 High Similarity NPC162612
0.8837 High Similarity NPC266689
0.8837 High Similarity NPC190043
0.8837 High Similarity NPC156539
0.8837 High Similarity NPC169250
0.8832 High Similarity NPC284556
0.8832 High Similarity NPC301178
0.881 High Similarity NPC73532
0.881 High Similarity NPC224273
0.881 High Similarity NPC156139
0.881 High Similarity NPC267552
0.881 High Similarity NPC143427
0.881 High Similarity NPC45438
0.881 High Similarity NPC115159
0.881 High Similarity NPC19174
0.8797 High Similarity NPC282780
0.8797 High Similarity NPC166480
0.8769 High Similarity NPC473017
0.8769 High Similarity NPC221777
0.8769 High Similarity NPC21305
0.8768 High Similarity NPC238629
0.8768 High Similarity NPC287722
0.8768 High Similarity NPC254659
0.876 High Similarity NPC62952
0.873 High Similarity NPC297186
0.873 High Similarity NPC248363
0.873 High Similarity NPC149246
0.871 High Similarity NPC121259
0.8705 High Similarity NPC142165
0.8705 High Similarity NPC38065
0.8705 High Similarity NPC242893
0.8682 High Similarity NPC477454
0.8662 High Similarity NPC38545
0.8662 High Similarity NPC171916
0.8651 High Similarity NPC159525
0.8647 High Similarity NPC175738
0.8633 High Similarity NPC119663
0.8629 High Similarity NPC299252
0.8629 High Similarity NPC61062
0.8629 High Similarity NPC277394
0.8615 High Similarity NPC473691
0.8601 High Similarity NPC3825
0.8601 High Similarity NPC85131
0.8601 High Similarity NPC472279
0.8601 High Similarity NPC88804
0.8594 High Similarity NPC91105
0.8594 High Similarity NPC86900
0.8593 High Similarity NPC72918
0.8592 High Similarity NPC80710
0.8592 High Similarity NPC166036
0.8592 High Similarity NPC203747
0.8592 High Similarity NPC203077
0.8592 High Similarity NPC238279
0.8592 High Similarity NPC254702
0.8592 High Similarity NPC3036
0.8592 High Similarity NPC139364
0.8592 High Similarity NPC194653
0.8583 High Similarity NPC146642
0.8582 High Similarity NPC139074
0.8582 High Similarity NPC40524
0.8582 High Similarity NPC213485
0.8582 High Similarity NPC88345
0.8571 High Similarity NPC279121
0.8571 High Similarity NPC207732
0.8571 High Similarity NPC105213
0.8571 High Similarity NPC475042
0.8571 High Similarity NPC158222
0.8561 High Similarity NPC291078
0.855 High Similarity NPC214620
0.8542 High Similarity NPC154345
0.8542 High Similarity NPC35
0.8542 High Similarity NPC256406
0.8542 High Similarity NPC227485
0.8538 High Similarity NPC475733
0.8531 High Similarity NPC102003
0.8531 High Similarity NPC195763
0.8531 High Similarity NPC264550
0.8531 High Similarity NPC105512
0.8531 High Similarity NPC264289
0.8531 High Similarity NPC333691
0.8531 High Similarity NPC69430
0.8531 High Similarity NPC40290
0.8531 High Similarity NPC142876
0.8531 High Similarity NPC200060
0.8531 High Similarity NPC139293
0.8531 High Similarity NPC92722
0.8529 High Similarity NPC118919
0.8529 High Similarity NPC191976
0.8527 High Similarity NPC472029
0.8527 High Similarity NPC65761
0.8521 High Similarity NPC108406
0.8521 High Similarity NPC95864
0.8521 High Similarity NPC188074
0.8521 High Similarity NPC125449
0.8519 High Similarity NPC44437
0.8516 High Similarity NPC215392
0.8511 High Similarity NPC70136
0.8511 High Similarity NPC157133
0.8507 High Similarity NPC186097
0.8507 High Similarity NPC475009
0.8507 High Similarity NPC475008
0.8504 High Similarity NPC294037
0.8504 High Similarity NPC34634
0.8504 High Similarity NPC265454
0.85 High Similarity NPC175013
0.8496 Intermediate Similarity NPC247477
0.8496 Intermediate Similarity NPC17840
0.8492 Intermediate Similarity NPC40649
0.8492 Intermediate Similarity NPC209486
0.8492 Intermediate Similarity NPC144343
0.8489 Intermediate Similarity NPC110419
0.8483 Intermediate Similarity NPC157784
0.8483 Intermediate Similarity NPC472912
0.8483 Intermediate Similarity NPC37684
0.8483 Intermediate Similarity NPC324233
0.8483 Intermediate Similarity NPC323626
0.8483 Intermediate Similarity NPC63187
0.8483 Intermediate Similarity NPC237994
0.8478 Intermediate Similarity NPC138099
0.8478 Intermediate Similarity NPC242994
0.8472 Intermediate Similarity NPC10467
0.8468 Intermediate Similarity NPC276111
0.8468 Intermediate Similarity NPC118288
0.8467 Intermediate Similarity NPC473391
0.8467 Intermediate Similarity NPC472364
0.8462 Intermediate Similarity NPC196277
0.8462 Intermediate Similarity NPC272721
0.8462 Intermediate Similarity NPC131451
0.8462 Intermediate Similarity NPC321011
0.8462 Intermediate Similarity NPC294852
0.8462 Intermediate Similarity NPC287395
0.8462 Intermediate Similarity NPC119059
0.8462 Intermediate Similarity NPC276930
0.8462 Intermediate Similarity NPC183655
0.8462 Intermediate Similarity NPC218490
0.8462 Intermediate Similarity NPC43669
0.8462 Intermediate Similarity NPC15329
0.8462 Intermediate Similarity NPC188679
0.8456 Intermediate Similarity NPC129752
0.8456 Intermediate Similarity NPC70859
0.8456 Intermediate Similarity NPC61153
0.8456 Intermediate Similarity NPC130899
0.8456 Intermediate Similarity NPC283590
0.8451 Intermediate Similarity NPC20791
0.8451 Intermediate Similarity NPC476535
0.8451 Intermediate Similarity NPC12377
0.8451 Intermediate Similarity NPC179271
0.845 Intermediate Similarity NPC309765
0.845 Intermediate Similarity NPC283514
0.8444 Intermediate Similarity NPC294226
0.8444 Intermediate Similarity NPC267205
0.844 Intermediate Similarity NPC59551
0.844 Intermediate Similarity NPC257025
0.8438 Intermediate Similarity NPC98305
0.8433 Intermediate Similarity NPC275504
0.8429 Intermediate Similarity NPC312256
0.8425 Intermediate Similarity NPC70433
0.8425 Intermediate Similarity NPC124714
0.8425 Intermediate Similarity NPC49402
0.8425 Intermediate Similarity NPC472905
0.8425 Intermediate Similarity NPC192083

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC244441 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
0.9528 High Similarity NPD943 Approved
0.8667 High Similarity NPD651 Clinical (unspecified phase)
0.8571 High Similarity NPD1511 Approved
0.8451 Intermediate Similarity NPD1512 Approved
0.8425 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8356 Intermediate Similarity NPD1934 Approved
0.8299 Intermediate Similarity NPD2801 Approved
0.8261 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8231 Intermediate Similarity NPD1201 Approved
0.8188 Intermediate Similarity NPD3882 Suspended
0.8168 Intermediate Similarity NPD9269 Phase 2
0.8129 Intermediate Similarity NPD1510 Phase 2
0.812 Intermediate Similarity NPD1470 Approved
0.8102 Intermediate Similarity NPD1240 Approved
0.8056 Intermediate Similarity NPD7390 Discontinued
0.7986 Intermediate Similarity NPD1607 Approved
0.7943 Intermediate Similarity NPD5404 Approved
0.7943 Intermediate Similarity NPD5406 Approved
0.7943 Intermediate Similarity NPD5405 Approved
0.7943 Intermediate Similarity NPD5408 Approved
0.7935 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD6166 Phase 2
0.7887 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7887 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD9268 Approved
0.7852 Intermediate Similarity NPD4380 Phase 2
0.7852 Intermediate Similarity NPD1164 Approved
0.7834 Intermediate Similarity NPD3818 Discontinued
0.7832 Intermediate Similarity NPD1549 Phase 2
0.7817 Intermediate Similarity NPD2935 Discontinued
0.7786 Intermediate Similarity NPD230 Phase 1
0.7778 Intermediate Similarity NPD3022 Approved
0.7778 Intermediate Similarity NPD3021 Approved
0.7769 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD3817 Phase 2
0.7736 Intermediate Similarity NPD7074 Phase 3
0.7712 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6232 Discontinued
0.7673 Intermediate Similarity NPD7054 Approved
0.7658 Intermediate Similarity NPD7473 Discontinued
0.7635 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD7472 Approved
0.7603 Intermediate Similarity NPD3750 Approved
0.7586 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD6797 Phase 2
0.7569 Intermediate Similarity NPD2796 Approved
0.7568 Intermediate Similarity NPD6799 Approved
0.7561 Intermediate Similarity NPD1242 Phase 1
0.7559 Intermediate Similarity NPD74 Approved
0.7559 Intermediate Similarity NPD9266 Approved
0.7554 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD7075 Discontinued
0.7531 Intermediate Similarity NPD7251 Discontinued
0.75 Intermediate Similarity NPD3027 Phase 3
0.75 Intermediate Similarity NPD3300 Phase 2
0.75 Intermediate Similarity NPD940 Approved
0.75 Intermediate Similarity NPD846 Approved
0.7485 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD9263 Approved
0.748 Intermediate Similarity NPD9267 Approved
0.748 Intermediate Similarity NPD9264 Approved
0.7468 Intermediate Similarity NPD7819 Suspended
0.7468 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD1551 Phase 2
0.7445 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD6599 Discontinued
0.7378 Intermediate Similarity NPD7808 Phase 3
0.7368 Intermediate Similarity NPD9493 Approved
0.7365 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD4750 Phase 3
0.7355 Intermediate Similarity NPD1465 Phase 2
0.7343 Intermediate Similarity NPD1613 Approved
0.7343 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD5494 Approved
0.7338 Intermediate Similarity NPD1203 Approved
0.7338 Intermediate Similarity NPD7411 Suspended
0.7315 Intermediate Similarity NPD6190 Approved
0.7308 Intermediate Similarity NPD5402 Approved
0.7303 Intermediate Similarity NPD5403 Approved
0.7303 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD447 Suspended
0.729 Intermediate Similarity NPD6801 Discontinued
0.7286 Intermediate Similarity NPD2798 Approved
0.7261 Intermediate Similarity NPD7768 Phase 2
0.726 Intermediate Similarity NPD2799 Discontinued
0.726 Intermediate Similarity NPD3748 Approved
0.7256 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6651 Approved
0.7218 Intermediate Similarity NPD9281 Approved
0.7215 Intermediate Similarity NPD3749 Approved
0.7212 Intermediate Similarity NPD6559 Discontinued
0.7209 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD3926 Phase 2
0.7203 Intermediate Similarity NPD3764 Approved
0.7188 Intermediate Similarity NPD6959 Discontinued
0.7181 Intermediate Similarity NPD2800 Approved
0.7171 Intermediate Similarity NPD2534 Approved
0.7171 Intermediate Similarity NPD2533 Approved
0.7171 Intermediate Similarity NPD5401 Approved
0.7171 Intermediate Similarity NPD2532 Approved
0.7165 Intermediate Similarity NPD9261 Approved
0.7162 Intermediate Similarity NPD2344 Approved
0.7153 Intermediate Similarity NPD3019 Approved
0.7153 Intermediate Similarity NPD2932 Approved
0.7134 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD8166 Discontinued
0.7113 Intermediate Similarity NPD9494 Approved
0.7097 Intermediate Similarity NPD2859 Approved
0.7097 Intermediate Similarity NPD2860 Approved
0.7083 Intermediate Similarity NPD2313 Discontinued
0.7083 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD919 Approved
0.7063 Intermediate Similarity NPD3020 Approved
0.7055 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD258 Approved
0.7042 Intermediate Similarity NPD257 Approved
0.703 Intermediate Similarity NPD5844 Phase 1
0.7027 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD2933 Approved
0.7016 Intermediate Similarity NPD2934 Approved
0.7 Intermediate Similarity NPD9717 Approved
0.6993 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6987 Remote Similarity NPD3455 Phase 2
0.698 Remote Similarity NPD6099 Approved
0.698 Remote Similarity NPD6100 Approved
0.698 Remote Similarity NPD9570 Approved
0.6975 Remote Similarity NPD1247 Approved
0.6974 Remote Similarity NPD2309 Approved
0.6957 Remote Similarity NPD6234 Discontinued
0.6954 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6954 Remote Similarity NPD1243 Approved
0.6944 Remote Similarity NPD6832 Phase 2
0.6939 Remote Similarity NPD1933 Approved
0.6934 Remote Similarity NPD5536 Phase 2
0.6933 Remote Similarity NPD7266 Discontinued
0.6933 Remote Similarity NPD2346 Discontinued
0.6929 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6908 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6908 Remote Similarity NPD4628 Phase 3
0.6884 Remote Similarity NPD9545 Approved
0.6879 Remote Similarity NPD3226 Approved
0.6875 Remote Similarity NPD9569 Approved
0.6875 Remote Similarity NPD3018 Phase 2
0.6871 Remote Similarity NPD825 Approved
0.6871 Remote Similarity NPD826 Approved
0.6855 Remote Similarity NPD37 Approved
0.6853 Remote Similarity NPD2797 Approved
0.6849 Remote Similarity NPD3268 Approved
0.6849 Remote Similarity NPD411 Approved
0.6846 Remote Similarity NPD1237 Approved
0.6845 Remote Similarity NPD5953 Discontinued
0.6842 Remote Similarity NPD2654 Approved
0.6828 Remote Similarity NPD4908 Phase 1
0.6825 Remote Similarity NPD844 Approved
0.6824 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6821 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6818 Remote Similarity NPD643 Clinical (unspecified phase)
0.6809 Remote Similarity NPD1610 Phase 2
0.6809 Remote Similarity NPD422 Phase 1
0.6803 Remote Similarity NPD520 Approved
0.68 Remote Similarity NPD4308 Phase 3
0.6797 Remote Similarity NPD3400 Discontinued
0.6791 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6774 Remote Similarity NPD4357 Discontinued
0.6768 Remote Similarity NPD7199 Phase 2
0.6765 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6763 Remote Similarity NPD1548 Phase 1
0.6761 Remote Similarity NPD3972 Approved
0.676 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6752 Remote Similarity NPD920 Approved
0.6741 Remote Similarity NPD228 Approved
0.6738 Remote Similarity NPD3023 Approved
0.6738 Remote Similarity NPD3026 Approved
0.6735 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6731 Remote Similarity NPD642 Clinical (unspecified phase)
0.6728 Remote Similarity NPD4966 Approved
0.6728 Remote Similarity NPD4965 Approved
0.6728 Remote Similarity NPD4967 Phase 2
0.6726 Remote Similarity NPD7286 Phase 2
0.6726 Remote Similarity NPD6020 Phase 2
0.6714 Remote Similarity NPD3024 Approved
0.6714 Remote Similarity NPD3025 Approved
0.6713 Remote Similarity NPD2982 Phase 2
0.6713 Remote Similarity NPD2983 Phase 2
0.6711 Remote Similarity NPD275 Approved
0.6711 Remote Similarity NPD274 Approved
0.6709 Remote Similarity NPD1653 Approved
0.6691 Remote Similarity NPD9377 Approved
0.6691 Remote Similarity NPD9379 Approved
0.6689 Remote Similarity NPD259 Phase 1
0.6687 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4625 Phase 3
0.6667 Remote Similarity NPD9536 Phase 1

Structure

External Identifiers

PubChem CID   100313
ChEMBL   CHEMBL524100
ZINC  

Physicochemical Properties

Molecular Weight:  358.18
ALogP:  -3.7358
MLogP:  3.22
XLogP:  5.61
# Rotatable Bonds:  14
Polar Surface Area:  97.99
# H-Bond Aceptor:  1
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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