Natural Product: NPC237938

Natural Product ID:  NPC237938
Common Name:   (1S,4As,4Br,6S,6Ar,8S,9S,10As,10Br,12As)-8-Acetyl-1-Ethyl-9-Hydroxy-1,4A,6A,10B-Tetramethyloctadecahydrochrysen-6-Yl Acetate
IUPAC Name:   [(1S,4aS,4bR,6S,6aR,8S,9S,10aS,10bR,12aS)-8-acetyl-1-ethyl-9-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,8,9,10,10a,11,12,12a-tetradecahydrochrysen-6-yl] acetate
Synonyms:  
Molecular Formula:   C28H46O4
Standard InCHIKey:  QYCIWRABWJCETB-NTWAHVCQSA-N
Standard InCHI:  InChI=1S/C28H46O4/c1-8-25(4)11-9-12-26(5)21(25)10-13-27(6)22-14-20(31)19(17(2)29)16-28(22,7)24(15-23(26)27)32-18(3)30/h19-24,31H,8-16H2,1-7H3/t19-,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
Canonical SMILES:  CC[C@@]1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2C[C@@H]([C@]2([C@H]1C[C@H](O)[C@H](C2)C(=O)C)C)OC(=O)C)C)C
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
NPO3308 Calycadenia fremontii Species Asteraceae Eukaryota UNPD*
NPO8857 Hydnum repandum Species Hydnaceae Eukaryota UNPD*
NPO2431 Penicilliopsis zonata Species Aspergillaceae Eukaryota UNPD*
NPO12586 Tapirira guianensis Species Anacardiaceae Eukaryota UNPD*
NPO8395.1 Crepis foetida subsp. rhoeadifolia Subspecies Asteraceae Eukaryota UNPD*
NPO6781 Senecio acanthifolius Species Asteraceae Eukaryota UNPD*
NPO11328 Juniperus chinensis Species Cupressaceae Eukaryota UNPD*
NPO2453 Stachybotrys chartarum Species Stachybotryaceae Eukaryota UNPD*
NPO9147 Frasera albomarginata Species Gentianaceae Eukaryota UNPD*
NPO9355 Polygonatum orientale Species Asparagaceae Eukaryota UNPD*
NPO5958 Senegalia modesta Species Fabaceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO28504 Calothrix brevissima Species Rivulariaceae Bacteria UNPD*
NPO33404 phyllospongia sp. Species Thorectidae Eukaryota Indonesia PMID[12502324]
NPO10944 Mantella baroni Species Mantellidae Eukaryota UNPD*
NPO12364 Polyides rotundus Species Polyideaceae Eukaryota UNPD*
NPO12708 Rothia indica Species Fabaceae Eukaryota UNPD*
NPO9977 Polygonum sieboldi Species Polygonaceae Eukaryota UNPD*
NPO5472 Spongia foliascens Species Spongiidae Eukaryota UNPD*
NPO7116 Monachosorum henryi Species Dennstaedtiaceae Eukaryota UNPD*
NPO13038 Fomes hartigii Species Coriolaceae Eukaryota UNPD*
NPO8225 Salvia karabachensis Species Lamiaceae Eukaryota UNPD*
NPO12931 Carex pumila Species Cyperaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens Inhibition = 30 % 12502324

  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 NPC237938 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
1.0 High Similarity NPC219535
0.975 High Similarity NPC83242
0.9512 High Similarity NPC131104
0.9512 High Similarity NPC473319
0.9512 High Similarity NPC3032
0.9398 High Similarity NPC67653
0.9398 High Similarity NPC471459
0.9286 High Similarity NPC88337
0.9286 High Similarity NPC475211
0.9024 High Similarity NPC473336
0.9024 High Similarity NPC471044
0.9024 High Similarity NPC9060
0.9024 High Similarity NPC181871
0.9024 High Similarity NPC477434
0.8916 High Similarity NPC474572
0.8889 High Similarity NPC476071
0.8795 High Similarity NPC473299
0.878 High Similarity NPC61107
0.878 High Similarity NPC289486
0.8734 High Similarity NPC474020
0.8706 High Similarity NPC470920
0.869 High Similarity NPC477205
0.8636 High Similarity NPC476189
0.8605 High Similarity NPC236459
0.8588 High Similarity NPC120395
0.8588 High Similarity NPC248216
0.8519 High Similarity NPC243594
0.8519 High Similarity NPC31031
0.8506 High Similarity NPC477443
0.8506 High Similarity NPC477440
0.8471 Intermediate Similarity NPC131350
0.8471 Intermediate Similarity NPC62572
0.8471 Intermediate Similarity NPC473350
0.8444 Intermediate Similarity NPC287354
0.8444 Intermediate Similarity NPC62407
0.8415 Intermediate Similarity NPC80891
0.8415 Intermediate Similarity NPC320144
0.8415 Intermediate Similarity NPC201276
0.8409 Intermediate Similarity NPC185529
0.8409 Intermediate Similarity NPC472146
0.8409 Intermediate Similarity NPC477433
0.8409 Intermediate Similarity NPC477442
0.8409 Intermediate Similarity NPC77756
0.8409 Intermediate Similarity NPC477444
0.8395 Intermediate Similarity NPC112463
0.8372 Intermediate Similarity NPC302111
0.8352 Intermediate Similarity NPC329910
0.8352 Intermediate Similarity NPC163685
0.8333 Intermediate Similarity NPC469982
0.8333 Intermediate Similarity NPC30583
0.8315 Intermediate Similarity NPC52756
0.8313 Intermediate Similarity NPC261616
0.8295 Intermediate Similarity NPC61688
0.8295 Intermediate Similarity NPC200580
0.8293 Intermediate Similarity NPC171426
0.8293 Intermediate Similarity NPC26029
0.8293 Intermediate Similarity NPC34046
0.8293 Intermediate Similarity NPC80089
0.8293 Intermediate Similarity NPC224802
0.8293 Intermediate Similarity NPC185465
0.8293 Intermediate Similarity NPC472608
0.8293 Intermediate Similarity NPC324700
0.8242 Intermediate Similarity NPC82633
0.8242 Intermediate Similarity NPC470229
0.8242 Intermediate Similarity NPC470232
0.8214 Intermediate Similarity NPC280781
0.8214 Intermediate Similarity NPC48756
0.8214 Intermediate Similarity NPC50658
0.8202 Intermediate Similarity NPC50443
0.8202 Intermediate Similarity NPC18536
0.8172 Intermediate Similarity NPC471038
0.8171 Intermediate Similarity NPC221420
0.8171 Intermediate Similarity NPC298168
0.8171 Intermediate Similarity NPC143133
0.8152 Intermediate Similarity NPC235109
0.8148 Intermediate Similarity NPC159789
0.8148 Intermediate Similarity NPC179858
0.814 Intermediate Similarity NPC25037
0.814 Intermediate Similarity NPC50438
0.814 Intermediate Similarity NPC34984
0.814 Intermediate Similarity NPC319909
0.8132 Intermediate Similarity NPC475118
0.8132 Intermediate Similarity NPC47853
0.8132 Intermediate Similarity NPC470385
0.8132 Intermediate Similarity NPC470386
0.8125 Intermediate Similarity NPC282905
0.8125 Intermediate Similarity NPC68426
0.8125 Intermediate Similarity NPC477229
0.8118 Intermediate Similarity NPC268040
0.8111 Intermediate Similarity NPC475878
0.8095 Intermediate Similarity NPC477851
0.809 Intermediate Similarity NPC24705
0.809 Intermediate Similarity NPC56962
0.8068 Intermediate Similarity NPC252714
0.8065 Intermediate Similarity NPC472145
0.8049 Intermediate Similarity NPC108840
0.8049 Intermediate Similarity NPC5767
0.8049 Intermediate Similarity NPC475742
0.8049 Intermediate Similarity NPC4209
0.8049 Intermediate Similarity NPC471046
0.8046 Intermediate Similarity NPC477445
0.8025 Intermediate Similarity NPC168511
0.8025 Intermediate Similarity NPC159325
0.8023 Intermediate Similarity NPC15091
0.8023 Intermediate Similarity NPC269684
0.8022 Intermediate Similarity NPC224060
0.8022 Intermediate Similarity NPC244356
0.8022 Intermediate Similarity NPC474379
0.8022 Intermediate Similarity NPC199543
0.8 Intermediate Similarity NPC289148
0.8 Intermediate Similarity NPC163963
0.8 Intermediate Similarity NPC46848
0.8 Intermediate Similarity NPC474870
0.8 Intermediate Similarity NPC271572
0.8 Intermediate Similarity NPC52899
0.8 Intermediate Similarity NPC73515
0.7979 Intermediate Similarity NPC475876
0.7979 Intermediate Similarity NPC472144
0.7979 Intermediate Similarity NPC474793
0.7978 Intermediate Similarity NPC476435
0.7978 Intermediate Similarity NPC477614
0.7978 Intermediate Similarity NPC471221
0.7978 Intermediate Similarity NPC226491
0.7978 Intermediate Similarity NPC476379
0.7976 Intermediate Similarity NPC220379
0.7957 Intermediate Similarity NPC193785
0.7957 Intermediate Similarity NPC200054
0.7957 Intermediate Similarity NPC29410
0.7957 Intermediate Similarity NPC470387
0.7957 Intermediate Similarity NPC219353
0.7955 Intermediate Similarity NPC472272
0.7955 Intermediate Similarity NPC80700
0.7955 Intermediate Similarity NPC477441
0.7952 Intermediate Similarity NPC317913
0.7952 Intermediate Similarity NPC477918
0.7952 Intermediate Similarity NPC207010
0.7949 Intermediate Similarity NPC472984
0.7935 Intermediate Similarity NPC474529
0.7935 Intermediate Similarity NPC309127
0.7935 Intermediate Similarity NPC247877
0.7931 Intermediate Similarity NPC105895
0.7931 Intermediate Similarity NPC475689
0.7927 Intermediate Similarity NPC267753
0.7927 Intermediate Similarity NPC97534
0.7927 Intermediate Similarity NPC212733
0.7927 Intermediate Similarity NPC174964
0.7927 Intermediate Similarity NPC195155
0.7917 Intermediate Similarity NPC470172
0.7917 Intermediate Similarity NPC88203
0.7917 Intermediate Similarity NPC76866
0.7917 Intermediate Similarity NPC246736
0.7917 Intermediate Similarity NPC275990
0.7917 Intermediate Similarity NPC286519
0.7917 Intermediate Similarity NPC214946
0.7917 Intermediate Similarity NPC148628
0.7917 Intermediate Similarity NPC304832
0.7912 Intermediate Similarity NPC470230
0.7912 Intermediate Similarity NPC198242
0.7912 Intermediate Similarity NPC198054
0.7912 Intermediate Similarity NPC211403
0.7907 Intermediate Similarity NPC121121
0.7907 Intermediate Similarity NPC208912
0.7907 Intermediate Similarity NPC2096
0.7901 Intermediate Similarity NPC81759
0.7895 Intermediate Similarity NPC287676
0.7895 Intermediate Similarity NPC94906
0.7882 Intermediate Similarity NPC125366
0.7872 Intermediate Similarity NPC472273
0.7865 Intermediate Similarity NPC263802
0.7865 Intermediate Similarity NPC239938
0.7857 Intermediate Similarity NPC475725
0.7849 Intermediate Similarity NPC474727
0.7849 Intermediate Similarity NPC305808
0.7849 Intermediate Similarity NPC98639
0.7835 Intermediate Similarity NPC469985
0.7835 Intermediate Similarity NPC209298
0.7835 Intermediate Similarity NPC473406
0.7835 Intermediate Similarity NPC87927
0.7835 Intermediate Similarity NPC139347
0.7835 Intermediate Similarity NPC122811
0.7835 Intermediate Similarity NPC277074
0.7831 Intermediate Similarity NPC472487
0.7831 Intermediate Similarity NPC477933
0.7831 Intermediate Similarity NPC472486
0.7831 Intermediate Similarity NPC477932
0.7826 Intermediate Similarity NPC472148
0.7826 Intermediate Similarity NPC161035
0.7826 Intermediate Similarity NPC471902
0.7826 Intermediate Similarity NPC473690
0.7826 Intermediate Similarity NPC472147
0.7826 Intermediate Similarity NPC287118
0.7816 Intermediate Similarity NPC474253
0.7816 Intermediate Similarity NPC213737
0.7816 Intermediate Similarity NPC475820
0.7816 Intermediate Similarity NPC474346
0.7816 Intermediate Similarity NPC474284
0.7812 Intermediate Similarity NPC236585
0.7812 Intermediate Similarity NPC75941
0.7805 Intermediate Similarity NPC167702
0.7805 Intermediate Similarity NPC74639

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC237938 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
0.8293 Intermediate Similarity NPD6114 Approved
0.8293 Intermediate Similarity NPD6118 Approved
0.8293 Intermediate Similarity NPD6115 Approved
0.8293 Intermediate Similarity NPD6697 Approved
0.8148 Intermediate Similarity NPD3703 Phase 2
0.8049 Intermediate Similarity NPD6117 Approved
0.7952 Intermediate Similarity NPD6116 Phase 1
0.7805 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7748 Approved
0.7353 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD5777 Approved
0.734 Intermediate Similarity NPD7515 Phase 2
0.734 Intermediate Similarity NPD8035 Phase 2
0.734 Intermediate Similarity NPD8034 Phase 2
0.7229 Intermediate Similarity NPD4245 Approved
0.7229 Intermediate Similarity NPD4244 Approved
0.716 Intermediate Similarity NPD4224 Phase 2
0.7143 Intermediate Similarity NPD6081 Approved
0.7143 Intermediate Similarity NPD7902 Approved
0.713 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3698 Phase 2
0.7093 Intermediate Similarity NPD3702 Approved
0.7059 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD4789 Approved
0.6988 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6988 Remote Similarity NPD5360 Phase 3
0.6903 Remote Similarity NPD8328 Phase 3
0.69 Remote Similarity NPD7638 Approved
0.6854 Remote Similarity NPD3671 Phase 1
0.6837 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6837 Remote Similarity NPD7900 Approved
0.6832 Remote Similarity NPD7640 Approved
0.6832 Remote Similarity NPD7639 Approved
0.6829 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6792 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6703 Remote Similarity NPD6928 Phase 2
0.6699 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD8418 Phase 2
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6402 Approved
0.6633 Remote Similarity NPD6411 Approved
0.6602 Remote Similarity NPD1700 Approved
0.6598 Remote Similarity NPD5328 Approved
0.6579 Remote Similarity NPD6921 Approved
0.6566 Remote Similarity NPD6399 Phase 3
0.6552 Remote Similarity NPD4758 Discontinued
0.6542 Remote Similarity NPD6899 Approved
0.6542 Remote Similarity NPD7320 Approved
0.6542 Remote Similarity NPD6881 Approved
0.6525 Remote Similarity NPD7736 Approved
0.6512 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6319 Approved
0.6484 Remote Similarity NPD4802 Phase 2
0.6484 Remote Similarity NPD4238 Approved
0.6484 Remote Similarity NPD5364 Discontinued
0.6481 Remote Similarity NPD6373 Approved
0.6481 Remote Similarity NPD6372 Approved
0.6465 Remote Similarity NPD6079 Approved
0.6452 Remote Similarity NPD1779 Approved
0.6452 Remote Similarity NPD1780 Approved
0.6449 Remote Similarity NPD5697 Approved
0.6449 Remote Similarity NPD5701 Approved
0.6429 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6101 Approved
0.6422 Remote Similarity NPD6883 Approved
0.6422 Remote Similarity NPD7290 Approved
0.6422 Remote Similarity NPD7102 Approved
0.641 Remote Similarity NPD7492 Approved
0.641 Remote Similarity NPD3729 Clinical (unspecified phase)
0.64 Remote Similarity NPD5778 Approved
0.64 Remote Similarity NPD5779 Approved
0.6396 Remote Similarity NPD8133 Approved
0.6396 Remote Similarity NPD4632 Approved
0.6392 Remote Similarity NPD3573 Approved
0.6389 Remote Similarity NPD6011 Approved
0.6364 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6869 Approved
0.6364 Remote Similarity NPD6650 Approved
0.6364 Remote Similarity NPD6649 Approved
0.6364 Remote Similarity NPD6847 Approved
0.6364 Remote Similarity NPD6617 Approved
0.6364 Remote Similarity NPD8130 Phase 1
0.6356 Remote Similarity NPD6616 Approved
0.6355 Remote Similarity NPD6008 Approved
0.6348 Remote Similarity NPD6059 Approved
0.6348 Remote Similarity NPD6054 Approved
0.6333 Remote Similarity NPD7319 Approved
0.633 Remote Similarity NPD6012 Approved
0.633 Remote Similarity NPD4061 Clinical (unspecified phase)
0.633 Remote Similarity NPD6014 Approved
0.633 Remote Similarity NPD6013 Approved
0.6327 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3669 Approved
0.6316 Remote Similarity NPD3670 Clinical (unspecified phase)
0.631 Remote Similarity NPD7909 Approved
0.6306 Remote Similarity NPD8297 Approved
0.6306 Remote Similarity NPD6882 Approved
0.6303 Remote Similarity NPD8293 Discontinued
0.6303 Remote Similarity NPD7078 Approved
0.6289 Remote Similarity NPD3618 Phase 1
0.6283 Remote Similarity NPD6940 Discontinued
0.625 Remote Similarity NPD4786 Approved
0.6239 Remote Similarity NPD6370 Approved
0.6237 Remote Similarity NPD7645 Phase 2
0.6228 Remote Similarity NPD7115 Discovery
0.6228 Remote Similarity NPD6009 Approved
0.6218 Remote Similarity NPD7507 Approved
0.6214 Remote Similarity NPD4697 Phase 3
0.6214 Remote Similarity NPD5221 Approved
0.6214 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5222 Approved
0.6211 Remote Similarity NPD3667 Approved
0.6186 Remote Similarity NPD7604 Phase 2
0.6154 Remote Similarity NPD6016 Approved
0.6154 Remote Similarity NPD5173 Approved
0.6154 Remote Similarity NPD4755 Approved
0.6154 Remote Similarity NPD6083 Phase 2
0.6154 Remote Similarity NPD5983 Phase 2
0.6154 Remote Similarity NPD6084 Phase 2
0.6154 Remote Similarity NPD6015 Approved
0.6147 Remote Similarity NPD6412 Phase 2
0.6146 Remote Similarity NPD4788 Approved
0.614 Remote Similarity NPD6868 Approved
0.6126 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6126 Remote Similarity NPD4634 Approved
0.6122 Remote Similarity NPD7521 Approved
0.6122 Remote Similarity NPD5330 Approved
0.6122 Remote Similarity NPD7146 Approved
0.6122 Remote Similarity NPD7334 Approved
0.6122 Remote Similarity NPD6409 Approved
0.6122 Remote Similarity NPD6684 Approved
0.6102 Remote Similarity NPD5988 Approved
0.61 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6083 Remote Similarity NPD6336 Discontinued
0.6078 Remote Similarity NPD8171 Discontinued
0.6067 Remote Similarity NPD4787 Phase 1
0.6055 Remote Similarity NPD6920 Discontinued
0.6042 Remote Similarity NPD7345 Approved
0.6038 Remote Similarity NPD4696 Approved
0.6038 Remote Similarity NPD5285 Approved
0.6038 Remote Similarity NPD5286 Approved
0.6038 Remote Similarity NPD4700 Approved
0.6034 Remote Similarity NPD6335 Approved
0.6024 Remote Similarity NPD3198 Approved
0.6023 Remote Similarity NPD229 Approved
0.6 Remote Similarity NPD5737 Approved
0.6 Remote Similarity NPD6903 Approved
0.6 Remote Similarity NPD6274 Approved
0.6 Remote Similarity NPD6672 Approved
0.6 Remote Similarity NPD615 Clinical (unspecified phase)
0.5984 Remote Similarity NPD6033 Approved
0.5983 Remote Similarity NPD7101 Approved
0.5983 Remote Similarity NPD7100 Approved
0.5981 Remote Similarity NPD5223 Approved
0.5965 Remote Similarity NPD8298 Phase 2
0.596 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5948 Remote Similarity NPD6317 Approved
0.5946 Remote Similarity NPD6686 Approved
0.5943 Remote Similarity NPD4225 Approved
0.5926 Remote Similarity NPD5211 Phase 2
0.5926 Remote Similarity NPD5226 Approved
0.5926 Remote Similarity NPD5224 Approved
0.5926 Remote Similarity NPD5225 Approved
0.5926 Remote Similarity NPD4633 Approved
0.5922 Remote Similarity NPD4202 Approved
0.5918 Remote Similarity NPD3665 Phase 1
0.5918 Remote Similarity NPD3666 Approved
0.5918 Remote Similarity NPD3133 Approved
0.5905 Remote Similarity NPD7614 Phase 1
0.5897 Remote Similarity NPD6313 Approved
0.5897 Remote Similarity NPD6314 Approved
0.5889 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6909 Approved
0.5882 Remote Similarity NPD6908 Approved
0.5872 Remote Similarity NPD5175 Approved
0.5872 Remote Similarity NPD4754 Approved
0.5872 Remote Similarity NPD5174 Approved
0.587 Remote Similarity NPD1810 Approved
0.587 Remote Similarity NPD1811 Approved
0.5856 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7525 Registered
0.5825 Remote Similarity NPD7637 Suspended
0.5818 Remote Similarity NPD5141 Approved
0.581 Remote Similarity NPD5695 Phase 3
0.581 Remote Similarity NPD6356 Clinical (unspecified phase)
0.581 Remote Similarity NPD7991 Discontinued
0.5804 Remote Similarity NPD6415 Discontinued
0.5794 Remote Similarity NPD5696 Approved
0.578 Remote Similarity NPD8084 Approved
0.578 Remote Similarity NPD8139 Approved
0.578 Remote Similarity NPD8138 Approved
0.578 Remote Similarity NPD8086 Approved
0.578 Remote Similarity NPD8085 Approved

Structure

External Identifiers

PubChem CID   21574600
ChEMBL   CHEMBL465072
ZINC  

Physicochemical Properties

Molecular Weight:  446.34
ALogP:  0.9493
MLogP:  4.1
XLogP:  8.673
# Rotatable Bonds:  12
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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