Natural Product: NPC249034

Natural Product ID:  NPC249034
Common Name:   Amijiol-7,10-Diacetate
IUPAC Name:   [(2R,4S,5aS,6S,9aR,10aS)-4-acetyloxy-6,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulen-2-yl] acetate
Synonyms:   Amijiol-7,10-Diacetate
Molecular Formula:   C24H36O6
Standard InCHIKey:  DORGIYVIWZRBKW-DXCUHBJQSA-N
Standard InCHI:  InChI=1S/C24H36O6/c1-13(2)20-17(29-15(4)25)10-22(6)12-24(28)14(3)8-9-19(27)23(24,7)11-18(21(20)22)30-16(5)26/h13,17-19,27-28H,3,8-12H2,1-2,4-7H3/t17-,18+,19+,22+,23+,24-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@]2(C)[C@@H](O)CCC(=C)[C@@]2(C[C@]2(C1=C(C(C)C)[C@@H](C2)OC(=O)C)C)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
NPO12648 Uragoga ipecacuanha NA NA NA UNPD*
NPO9742 Entada scandens Species Fabaceae Eukaryota UNPD*
NPO32968 dictoyota dichotoma Species NA NA PMID[21130542]
NPO12335 Aristolochia reticulata Species Aristolochiaceae Eukaryota UNPD*
NPO16389 Anodonta cygnea Species Unionidae Eukaryota UNPD*
NPO5863 Amyris plumieri Species Rutaceae Eukaryota UNPD*
NPO1481 Balfourodendron riedelianum Species Rutaceae Eukaryota UNPD*
NPO7039 Espeletia uribei Species Asteraceae Eukaryota UNPD*
NPO2958 Euphorbia glareosa Species Euphorbiaceae Eukaryota UNPD*
NPO8948 Streptomyces pristinaespiralis Species Streptomycetaceae Bacteria UNPD*
NPO8033 Sordaria macrospora Species Sordariaceae Eukaryota UNPD*
NPO604 Erysimum crepidifolium Species Brassicaceae Eukaryota UNPD*
NPO26935 Coprinopsis lagopus Species Psathyrellaceae Eukaryota UNPD*
NPO6812 Bulbine frutescens Species Xanthorrhoeaceae Eukaryota UNPD*
NPO8796 Cnemidocarpa bicornuta Species Styelidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 = 47 ug/ml 21130542
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 21.4 ug/ml 21130542
NPT83 Cell Line MCF7 Homo sapiens IC50 = 30.5 ug/ml 21130542
NPT2 Others Unspecified Activity = 71.2 % 21130542
NPT632 Tissue Brain Rattus norvegicus Inhibition = 80.24 % 21130542

  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 NPC249034 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
0.9882 High Similarity NPC209816
0.9176 High Similarity NPC222634
0.9022 High Similarity NPC254121
0.8913 High Similarity NPC475304
0.8804 High Similarity NPC86893
0.8804 High Similarity NPC292178
0.8646 High Similarity NPC165578
0.8438 Intermediate Similarity NPC274643
0.8438 Intermediate Similarity NPC475877
0.8353 Intermediate Similarity NPC31037
0.8317 Intermediate Similarity NPC273433
0.8229 Intermediate Similarity NPC473244
0.8211 Intermediate Similarity NPC276110
0.8211 Intermediate Similarity NPC476720
0.8172 Intermediate Similarity NPC220216
0.8125 Intermediate Similarity NPC284194
0.8125 Intermediate Similarity NPC471765
0.8125 Intermediate Similarity NPC221801
0.8125 Intermediate Similarity NPC211810
0.8111 Intermediate Similarity NPC102048
0.8105 Intermediate Similarity NPC105490
0.8085 Intermediate Similarity NPC124374
0.8065 Intermediate Similarity NPC261320
0.8061 Intermediate Similarity NPC38855
0.8061 Intermediate Similarity NPC474718
0.8043 Intermediate Similarity NPC471796
0.8043 Intermediate Similarity NPC166857
0.8 Intermediate Similarity NPC10232
0.8 Intermediate Similarity NPC189588
0.8 Intermediate Similarity NPC472641
0.8 Intermediate Similarity NPC7349
0.8 Intermediate Similarity NPC99653
0.8 Intermediate Similarity NPC472640
0.8 Intermediate Similarity NPC187302
0.8 Intermediate Similarity NPC97487
0.8 Intermediate Similarity NPC196471
0.8 Intermediate Similarity NPC473523
0.7959 Intermediate Similarity NPC278673
0.7959 Intermediate Similarity NPC325229
0.7959 Intermediate Similarity NPC275086
0.7941 Intermediate Similarity NPC475781
0.7938 Intermediate Similarity NPC165632
0.7935 Intermediate Similarity NPC477668
0.7921 Intermediate Similarity NPC473577
0.7921 Intermediate Similarity NPC475585
0.7921 Intermediate Similarity NPC474550
0.7921 Intermediate Similarity NPC473543
0.7917 Intermediate Similarity NPC472360
0.7917 Intermediate Similarity NPC472416
0.79 Intermediate Similarity NPC471914
0.79 Intermediate Similarity NPC475038
0.79 Intermediate Similarity NPC109195
0.79 Intermediate Similarity NPC478156
0.7895 Intermediate Similarity NPC130840
0.7879 Intermediate Similarity NPC272223
0.7879 Intermediate Similarity NPC324841
0.7879 Intermediate Similarity NPC16601
0.7872 Intermediate Similarity NPC246028
0.7857 Intermediate Similarity NPC51499
0.7857 Intermediate Similarity NPC287668
0.7849 Intermediate Similarity NPC471779
0.7843 Intermediate Similarity NPC119855
0.7843 Intermediate Similarity NPC475290
0.7843 Intermediate Similarity NPC220217
0.7835 Intermediate Similarity NPC111273
0.7835 Intermediate Similarity NPC471915
0.7822 Intermediate Similarity NPC471938
0.7822 Intermediate Similarity NPC475623
0.7822 Intermediate Similarity NPC475334
0.7822 Intermediate Similarity NPC160583
0.7822 Intermediate Similarity NPC473694
0.7812 Intermediate Similarity NPC110022
0.78 Intermediate Similarity NPC247701
0.78 Intermediate Similarity NPC11974
0.78 Intermediate Similarity NPC475617
0.78 Intermediate Similarity NPC295110
0.78 Intermediate Similarity NPC222875
0.78 Intermediate Similarity NPC25177
0.78 Intermediate Similarity NPC472554
0.78 Intermediate Similarity NPC268829
0.7789 Intermediate Similarity NPC48732
0.7789 Intermediate Similarity NPC78973
0.7789 Intermediate Similarity NPC472642
0.7789 Intermediate Similarity NPC123252
0.7789 Intermediate Similarity NPC194485
0.7789 Intermediate Similarity NPC219937
0.7789 Intermediate Similarity NPC53890
0.7778 Intermediate Similarity NPC218107
0.7767 Intermediate Similarity NPC471205
0.7755 Intermediate Similarity NPC202833
0.7755 Intermediate Similarity NPC129569
0.7745 Intermediate Similarity NPC471937
0.7745 Intermediate Similarity NPC475331
0.7745 Intermediate Similarity NPC475335
0.7745 Intermediate Similarity NPC239162
0.7745 Intermediate Similarity NPC201144
0.7745 Intermediate Similarity NPC80809
0.7745 Intermediate Similarity NPC121518
0.7745 Intermediate Similarity NPC181104
0.7745 Intermediate Similarity NPC288502
0.7745 Intermediate Similarity NPC103298
0.7742 Intermediate Similarity NPC131813
0.7732 Intermediate Similarity NPC39453
0.7732 Intermediate Similarity NPC105375
0.7732 Intermediate Similarity NPC182826
0.7732 Intermediate Similarity NPC3359
0.7732 Intermediate Similarity NPC474922
0.7732 Intermediate Similarity NPC161998
0.7723 Intermediate Similarity NPC470972
0.7723 Intermediate Similarity NPC475344
0.7723 Intermediate Similarity NPC476081
0.7723 Intermediate Similarity NPC472552
0.7723 Intermediate Similarity NPC476471
0.7723 Intermediate Similarity NPC474709
0.7708 Intermediate Similarity NPC473675
0.7708 Intermediate Similarity NPC78594
0.7708 Intermediate Similarity NPC234335
0.77 Intermediate Similarity NPC188968
0.77 Intermediate Similarity NPC251680
0.7692 Intermediate Similarity NPC38948
0.7677 Intermediate Similarity NPC210337
0.7677 Intermediate Similarity NPC182811
0.767 Intermediate Similarity NPC60315
0.7667 Intermediate Similarity NPC469802
0.766 Intermediate Similarity NPC44538
0.7653 Intermediate Similarity NPC37603
0.7653 Intermediate Similarity NPC471786
0.7647 Intermediate Similarity NPC120009
0.7647 Intermediate Similarity NPC474124
0.7647 Intermediate Similarity NPC472821
0.7647 Intermediate Similarity NPC45897
0.7634 Intermediate Similarity NPC471795
0.7629 Intermediate Similarity NPC26046
0.7629 Intermediate Similarity NPC53555
0.7619 Intermediate Similarity NPC475030
0.7619 Intermediate Similarity NPC206618
0.7609 Intermediate Similarity NPC311070
0.7609 Intermediate Similarity NPC23748
0.7609 Intermediate Similarity NPC474809
0.7609 Intermediate Similarity NPC477667
0.7604 Intermediate Similarity NPC10274
0.76 Intermediate Similarity NPC274458
0.76 Intermediate Similarity NPC470067
0.76 Intermediate Similarity NPC470066
0.7596 Intermediate Similarity NPC469318
0.7596 Intermediate Similarity NPC475074
0.7596 Intermediate Similarity NPC187435
0.7596 Intermediate Similarity NPC67321
0.7596 Intermediate Similarity NPC473173
0.7593 Intermediate Similarity NPC216665
0.7582 Intermediate Similarity NPC475944
0.7579 Intermediate Similarity NPC476723
0.7579 Intermediate Similarity NPC291665
0.7579 Intermediate Similarity NPC476724
0.7579 Intermediate Similarity NPC160304
0.7576 Intermediate Similarity NPC472995
0.7576 Intermediate Similarity NPC88009
0.7576 Intermediate Similarity NPC54248
0.7576 Intermediate Similarity NPC134072
0.7576 Intermediate Similarity NPC319861
0.7576 Intermediate Similarity NPC276103
0.7576 Intermediate Similarity NPC234993
0.7576 Intermediate Similarity NPC320231
0.757 Intermediate Similarity NPC23967
0.7556 Intermediate Similarity NPC242767
0.7556 Intermediate Similarity NPC5908
0.7556 Intermediate Similarity NPC110373
0.7556 Intermediate Similarity NPC80471
0.7553 Intermediate Similarity NPC471219
0.7553 Intermediate Similarity NPC475684
0.7553 Intermediate Similarity NPC137253
0.7553 Intermediate Similarity NPC102996
0.7551 Intermediate Similarity NPC473258
0.7551 Intermediate Similarity NPC140277
0.7551 Intermediate Similarity NPC281775
0.7551 Intermediate Similarity NPC472467
0.7551 Intermediate Similarity NPC144202
0.7551 Intermediate Similarity NPC57117
0.7551 Intermediate Similarity NPC469491
0.7549 Intermediate Similarity NPC475091
0.7549 Intermediate Similarity NPC214714
0.7549 Intermediate Similarity NPC200672
0.7549 Intermediate Similarity NPC238397
0.7549 Intermediate Similarity NPC471363
0.7549 Intermediate Similarity NPC11956
0.7547 Intermediate Similarity NPC472214
0.7547 Intermediate Similarity NPC472215
0.7528 Intermediate Similarity NPC84360
0.7528 Intermediate Similarity NPC476439
0.7527 Intermediate Similarity NPC83702
0.7527 Intermediate Similarity NPC37005
0.7527 Intermediate Similarity NPC471302
0.7527 Intermediate Similarity NPC154893
0.7527 Intermediate Similarity NPC16887
0.7527 Intermediate Similarity NPC53011
0.7527 Intermediate Similarity NPC32223
0.7526 Intermediate Similarity NPC219516
0.7526 Intermediate Similarity NPC477574
0.7526 Intermediate Similarity NPC41239
0.7525 Intermediate Similarity NPC473510

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC249034 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
0.77 Intermediate Similarity NPD7640 Approved
0.77 Intermediate Similarity NPD7639 Approved
0.7624 Intermediate Similarity NPD5344 Discontinued
0.76 Intermediate Similarity NPD7638 Approved
0.7527 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD6695 Phase 3
0.7353 Intermediate Similarity NPD6648 Approved
0.7347 Intermediate Similarity NPD7637 Suspended
0.7232 Intermediate Similarity NPD7327 Approved
0.7232 Intermediate Similarity NPD7328 Approved
0.7222 Intermediate Similarity NPD6371 Approved
0.7212 Intermediate Similarity NPD7632 Discontinued
0.7168 Intermediate Similarity NPD7516 Approved
0.7113 Intermediate Similarity NPD7524 Approved
0.7113 Intermediate Similarity NPD7750 Discontinued
0.7097 Intermediate Similarity NPD7332 Phase 2
0.7097 Intermediate Similarity NPD6930 Phase 2
0.7097 Intermediate Similarity NPD6931 Approved
0.7087 Intermediate Similarity NPD4225 Approved
0.7043 Intermediate Similarity NPD8335 Approved
0.7043 Intermediate Similarity NPD8296 Approved
0.7043 Intermediate Similarity NPD8380 Approved
0.7043 Intermediate Similarity NPD8378 Approved
0.7043 Intermediate Similarity NPD8379 Approved
0.6989 Remote Similarity NPD6929 Approved
0.6972 Remote Similarity NPD4061 Clinical (unspecified phase)
0.697 Remote Similarity NPD6051 Approved
0.6957 Remote Similarity NPD8294 Approved
0.6957 Remote Similarity NPD8377 Approved
0.6944 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6939 Remote Similarity NPD4251 Approved
0.6939 Remote Similarity NPD4250 Approved
0.6915 Remote Similarity NPD4820 Approved
0.6915 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6915 Remote Similarity NPD7514 Phase 3
0.6915 Remote Similarity NPD4822 Approved
0.6915 Remote Similarity NPD4819 Approved
0.6915 Remote Similarity NPD4821 Approved
0.6907 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6897 Remote Similarity NPD8033 Approved
0.6897 Remote Similarity NPD7503 Approved
0.6881 Remote Similarity NPD6686 Approved
0.6842 Remote Similarity NPD6898 Phase 1
0.6837 Remote Similarity NPD4249 Approved
0.6832 Remote Similarity NPD7087 Discontinued
0.6804 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6053 Discontinued
0.6774 Remote Similarity NPD5776 Phase 2
0.6774 Remote Similarity NPD6925 Approved
0.6765 Remote Similarity NPD5779 Approved
0.6765 Remote Similarity NPD5778 Approved
0.6757 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6737 Remote Similarity NPD7525 Registered
0.6735 Remote Similarity NPD6893 Approved
0.6733 Remote Similarity NPD7838 Discovery
0.6733 Remote Similarity NPD6698 Approved
0.6733 Remote Similarity NPD46 Approved
0.6702 Remote Similarity NPD7145 Approved
0.6702 Remote Similarity NPD4268 Approved
0.6702 Remote Similarity NPD4271 Approved
0.6701 Remote Similarity NPD7154 Phase 3
0.6701 Remote Similarity NPD5362 Discontinued
0.6697 Remote Similarity NPD6675 Approved
0.6697 Remote Similarity NPD7128 Approved
0.6697 Remote Similarity NPD6402 Approved
0.6697 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6902 Approved
0.6667 Remote Similarity NPD7507 Approved
0.6639 Remote Similarity NPD7319 Approved
0.6635 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6634 Remote Similarity NPD1695 Approved
0.6596 Remote Similarity NPD6932 Approved
0.6577 Remote Similarity NPD6899 Approved
0.6577 Remote Similarity NPD7320 Approved
0.6577 Remote Similarity NPD6881 Approved
0.6569 Remote Similarity NPD5785 Approved
0.6562 Remote Similarity NPD7509 Discontinued
0.6552 Remote Similarity NPD7115 Discovery
0.6526 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6518 Remote Similarity NPD6373 Approved
0.6518 Remote Similarity NPD6372 Approved
0.6509 Remote Similarity NPD6083 Phase 2
0.6509 Remote Similarity NPD6084 Phase 2
0.6486 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6486 Remote Similarity NPD5701 Approved
0.6486 Remote Similarity NPD5697 Approved
0.646 Remote Similarity NPD7290 Approved
0.646 Remote Similarity NPD7102 Approved
0.646 Remote Similarity NPD6883 Approved
0.6458 Remote Similarity NPD6683 Phase 2
0.6452 Remote Similarity NPD6926 Approved
0.6452 Remote Similarity NPD6924 Approved
0.6449 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6399 Phase 3
0.6436 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6435 Approved
0.6429 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6415 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6404 Remote Similarity NPD6617 Approved
0.6404 Remote Similarity NPD8130 Phase 1
0.6404 Remote Similarity NPD6847 Approved
0.6404 Remote Similarity NPD6649 Approved
0.6404 Remote Similarity NPD6869 Approved
0.6404 Remote Similarity NPD6650 Approved
0.6396 Remote Similarity NPD6640 Phase 3
0.6372 Remote Similarity NPD6014 Approved
0.6372 Remote Similarity NPD6012 Approved
0.6372 Remote Similarity NPD6013 Approved
0.6364 Remote Similarity NPD5331 Approved
0.6364 Remote Similarity NPD5332 Approved
0.6348 Remote Similarity NPD8297 Approved
0.6348 Remote Similarity NPD6882 Approved
0.6346 Remote Similarity NPD8035 Phase 2
0.6346 Remote Similarity NPD8034 Phase 2
0.6346 Remote Similarity NPD7983 Approved
0.6346 Remote Similarity NPD6411 Approved
0.6339 Remote Similarity NPD6412 Phase 2
0.6327 Remote Similarity NPD4790 Discontinued
0.6321 Remote Similarity NPD5695 Phase 3
0.6316 Remote Similarity NPD6933 Approved
0.6293 Remote Similarity NPD8133 Approved
0.6293 Remote Similarity NPD4632 Approved
0.6289 Remote Similarity NPD7645 Phase 2
0.6283 Remote Similarity NPD6011 Approved
0.6273 Remote Similarity NPD5211 Phase 2
0.6263 Remote Similarity NPD4270 Approved
0.6263 Remote Similarity NPD4269 Approved
0.6261 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6261 Remote Similarity NPD6401 Clinical (unspecified phase)
0.625 Remote Similarity NPD6319 Approved
0.625 Remote Similarity NPD7136 Phase 2
0.625 Remote Similarity NPD6008 Approved
0.625 Remote Similarity NPD3168 Discontinued
0.6238 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6238 Remote Similarity NPD1694 Approved
0.6226 Remote Similarity NPD7748 Approved
0.6226 Remote Similarity NPD5282 Discontinued
0.6224 Remote Similarity NPD5368 Approved
0.6204 Remote Similarity NPD7902 Approved
0.6204 Remote Similarity NPD4755 Approved
0.619 Remote Similarity NPD7515 Phase 2
0.6182 Remote Similarity NPD4159 Approved
0.6179 Remote Similarity NPD7492 Approved
0.6176 Remote Similarity NPD5786 Approved
0.6176 Remote Similarity NPD7146 Approved
0.6176 Remote Similarity NPD6684 Approved
0.6176 Remote Similarity NPD7521 Approved
0.6176 Remote Similarity NPD5330 Approved
0.6176 Remote Similarity NPD7334 Approved
0.6176 Remote Similarity NPD6409 Approved
0.6162 Remote Similarity NPD5369 Approved
0.6161 Remote Similarity NPD5141 Approved
0.6154 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6101 Approved
0.6147 Remote Similarity NPD5696 Approved
0.6146 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6136 Remote Similarity NPD368 Approved
0.6134 Remote Similarity NPD6009 Approved
0.6132 Remote Similarity NPD4202 Approved
0.6129 Remote Similarity NPD6616 Approved
0.6116 Remote Similarity NPD6059 Approved
0.6116 Remote Similarity NPD6054 Approved
0.6111 Remote Similarity NPD2685 Clinical (unspecified phase)
0.61 Remote Similarity NPD5209 Approved
0.6098 Remote Similarity NPD7604 Phase 2
0.6091 Remote Similarity NPD4700 Approved
0.6091 Remote Similarity NPD4696 Approved
0.6091 Remote Similarity NPD5285 Approved
0.6091 Remote Similarity NPD5286 Approved
0.6087 Remote Similarity NPD8132 Clinical (unspecified phase)
0.608 Remote Similarity NPD8293 Discontinued
0.608 Remote Similarity NPD7078 Approved
0.6078 Remote Similarity NPD5363 Approved
0.6066 Remote Similarity NPD8513 Phase 3
0.6066 Remote Similarity NPD5983 Phase 2
0.6066 Remote Similarity NPD8517 Approved
0.6066 Remote Similarity NPD8515 Approved
0.6066 Remote Similarity NPD8516 Approved
0.6061 Remote Similarity NPD4252 Approved
0.6058 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6058 Remote Similarity NPD6903 Approved
0.6053 Remote Similarity NPD6685 Approved
0.605 Remote Similarity NPD6274 Approved
0.6042 Remote Similarity NPD8039 Approved
0.6042 Remote Similarity NPD8264 Approved
0.6042 Remote Similarity NPD6942 Approved
0.6042 Remote Similarity NPD7339 Approved
0.6038 Remote Similarity NPD5693 Phase 1
0.6033 Remote Similarity NPD7101 Approved
0.6033 Remote Similarity NPD7100 Approved
0.6032 Remote Similarity NPD7736 Approved
0.6022 Remote Similarity NPD6922 Approved
0.6022 Remote Similarity NPD6923 Approved
0.6019 Remote Similarity NPD3618 Phase 1
0.6019 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6016 Remote Similarity NPD6370 Approved
0.6 Remote Similarity NPD5328 Approved
0.6 Remote Similarity NPD4753 Phase 2

Structure

External Identifiers

PubChem CID   23424866
ChEMBL   CHEMBL1652224
ZINC  

Physicochemical Properties

Molecular Weight:  420.25
ALogP:  0.4071
MLogP:  3.44
XLogP:  1.994
# Rotatable Bonds:  13
Polar Surface Area:  93.06
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  30

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Biological Activities  
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