Natural Product: NPC141447

Natural Product ID:  NPC141447
Common Name:   12,23-Dihydroxy-11Alpha-Methoxyurs-12-En-3-One
IUPAC Name:   (4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14S,14aR,14bS)-13-hydroxy-4-(hydroxymethyl)-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
Synonyms:  
Molecular Formula:   C31H50O4
Standard InCHIKey:  YPWRVIJLRQKSJU-MMACHFKXSA-N
Standard InCHI:  InChI=1S/C31H50O4/c1-18-9-12-27(3)15-16-30(6)23(22(27)19(18)2)24(34)25(35-8)26-28(4)13-11-21(33)29(5,17-32)20(28)10-14-31(26,30)7/h18-20,22,25-26,32,34H,9-17H2,1-8H3/t18-,19+,20-,22+,25-,26-,27-,28+,29+,30-,31-/m1/s1
Canonical SMILES:  CO[C@@H]1C(=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CCC(=O)[C@@]([C@@H]1CC2)(C)CO)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
NPO22670 Phebalium bilobum Species Rutaceae Eukaryota UNPD*
NPO6425 Betula davurica Species Betulaceae Eukaryota UNPD*
NPO10464 Epipedobates anthonyi Species Dendrobatidae Eukaryota UNPD*
NPO21341 Morus macroura Species Moraceae Eukaryota UNPD*
NPO22272 Raphanus raphanistrum Species Brassicaceae Eukaryota UNPD*
NPO20787 Achyranthes aspera Species Amaranthaceae Eukaryota UNPD*
NPO23441 Schisandra sphaerandra Species Schisandraceae Eukaryota UNPD*
NPO19561 Garcinia conrauana Species Clusiaceae Eukaryota UNPD*
NPO21776 Sesbania grandiflora Species Fabaceae Eukaryota UNPD*
NPO3277 Salix alba Species Salicaceae Eukaryota UNPD*
NPO22212 Rhizophora mangle Species Rhizophoraceae Eukaryota UNPD*
NPO22915 Stereocaulon azoreum Species Stereocaulaceae Eukaryota UNPD*
NPO22788 Barnettia kerrii NA NA NA UNPD*
NPO22421 Microtropis japonica Species Celastraceae Eukaryota UNPD*
NPO14938 Cybister lateralimarginalis Species Dytiscidae Eukaryota UNPD*
NPO22734 Neopringlea integrifolia Species Salicaceae Eukaryota UNPD*
NPO5933 Drimia fugax Species Hyacinthaceae Eukaryota UNPD*
NPO21610 Laurencia rigida Species Rhodomelaceae Eukaryota UNPD*
NPO17102 Ocypus olens Species Staphylinidae 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 = 7.7 ug/ml 19534471
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5.1 ug/ml 19534471

  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 NPC141447 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
0.8478 Intermediate Similarity NPC198818
0.8333 Intermediate Similarity NPC274724
0.8298 Intermediate Similarity NPC169343
0.8211 Intermediate Similarity NPC91010
0.8182 Intermediate Similarity NPC476890
0.8172 Intermediate Similarity NPC281524
0.8152 Intermediate Similarity NPC173089
0.8152 Intermediate Similarity NPC158141
0.8105 Intermediate Similarity NPC136313
0.8105 Intermediate Similarity NPC307335
0.8105 Intermediate Similarity NPC74855
0.81 Intermediate Similarity NPC476889
0.809 Intermediate Similarity NPC3915
0.8085 Intermediate Similarity NPC113393
0.8085 Intermediate Similarity NPC49320
0.8081 Intermediate Similarity NPC93744
0.8081 Intermediate Similarity NPC476888
0.8065 Intermediate Similarity NPC307298
0.8065 Intermediate Similarity NPC1753
0.8065 Intermediate Similarity NPC474511
0.8061 Intermediate Similarity NPC188833
0.8061 Intermediate Similarity NPC303777
0.8061 Intermediate Similarity NPC471784
0.8041 Intermediate Similarity NPC230151
0.8041 Intermediate Similarity NPC201657
0.8022 Intermediate Similarity NPC180834
0.8021 Intermediate Similarity NPC87095
0.8 Intermediate Similarity NPC84319
0.8 Intermediate Similarity NPC471588
0.8 Intermediate Similarity NPC52021
0.8 Intermediate Similarity NPC306541
0.8 Intermediate Similarity NPC25299
0.8 Intermediate Similarity NPC300351
0.8 Intermediate Similarity NPC71074
0.8 Intermediate Similarity NPC40918
0.8 Intermediate Similarity NPC235884
0.8 Intermediate Similarity NPC472149
0.8 Intermediate Similarity NPC310989
0.8 Intermediate Similarity NPC6255
0.798 Intermediate Similarity NPC473176
0.7979 Intermediate Similarity NPC69627
0.7979 Intermediate Similarity NPC474700
0.7959 Intermediate Similarity NPC106112
0.7959 Intermediate Similarity NPC261935
0.7941 Intermediate Similarity NPC80566
0.7935 Intermediate Similarity NPC133954
0.7917 Intermediate Similarity NPC275809
0.7912 Intermediate Similarity NPC86370
0.79 Intermediate Similarity NPC473174
0.7895 Intermediate Similarity NPC472307
0.7879 Intermediate Similarity NPC271614
0.7879 Intermediate Similarity NPC111214
0.7879 Intermediate Similarity NPC29765
0.7872 Intermediate Similarity NPC230387
0.7865 Intermediate Similarity NPC476812
0.7864 Intermediate Similarity NPC301666
0.7857 Intermediate Similarity NPC98874
0.785 Intermediate Similarity NPC110861
0.7849 Intermediate Similarity NPC74363
0.7849 Intermediate Similarity NPC475862
0.7849 Intermediate Similarity NPC213412
0.7849 Intermediate Similarity NPC322159
0.7849 Intermediate Similarity NPC470955
0.7849 Intermediate Similarity NPC56588
0.7849 Intermediate Similarity NPC324063
0.7835 Intermediate Similarity NPC32407
0.7835 Intermediate Similarity NPC20235
0.7835 Intermediate Similarity NPC88116
0.7835 Intermediate Similarity NPC474529
0.7835 Intermediate Similarity NPC296164
0.7835 Intermediate Similarity NPC263548
0.7835 Intermediate Similarity NPC299996
0.7835 Intermediate Similarity NPC282395
0.7835 Intermediate Similarity NPC231063
0.7835 Intermediate Similarity NPC145667
0.7835 Intermediate Similarity NPC474882
0.7826 Intermediate Similarity NPC227132
0.7812 Intermediate Similarity NPC228784
0.7812 Intermediate Similarity NPC324341
0.7812 Intermediate Similarity NPC966
0.7812 Intermediate Similarity NPC288833
0.7812 Intermediate Similarity NPC282616
0.7812 Intermediate Similarity NPC155120
0.7802 Intermediate Similarity NPC212083
0.78 Intermediate Similarity NPC35239
0.7778 Intermediate Similarity NPC268954
0.7778 Intermediate Similarity NPC255589
0.7778 Intermediate Similarity NPC259788
0.7778 Intermediate Similarity NPC18955
0.7766 Intermediate Similarity NPC73064
0.7766 Intermediate Similarity NPC220930
0.7766 Intermediate Similarity NPC272039
0.7766 Intermediate Similarity NPC469322
0.7755 Intermediate Similarity NPC148523
0.7755 Intermediate Similarity NPC198245
0.7755 Intermediate Similarity NPC96916
0.7745 Intermediate Similarity NPC324001
0.7732 Intermediate Similarity NPC298554
0.7732 Intermediate Similarity NPC133579
0.7732 Intermediate Similarity NPC474806
0.7732 Intermediate Similarity NPC295643
0.7732 Intermediate Similarity NPC272075
0.7732 Intermediate Similarity NPC214756
0.7732 Intermediate Similarity NPC271652
0.7723 Intermediate Similarity NPC471075
0.7723 Intermediate Similarity NPC54909
0.7723 Intermediate Similarity NPC233012
0.7708 Intermediate Similarity NPC291028
0.7708 Intermediate Similarity NPC193750
0.7708 Intermediate Similarity NPC86372
0.7708 Intermediate Similarity NPC172361
0.7708 Intermediate Similarity NPC46441
0.7684 Intermediate Similarity NPC182797
0.7684 Intermediate Similarity NPC52169
0.7684 Intermediate Similarity NPC246708
0.7684 Intermediate Similarity NPC143025
0.7684 Intermediate Similarity NPC40552
0.7677 Intermediate Similarity NPC25848
0.7677 Intermediate Similarity NPC158371
0.7677 Intermediate Similarity NPC307282
0.7677 Intermediate Similarity NPC204961
0.7677 Intermediate Similarity NPC259733
0.7677 Intermediate Similarity NPC305464
0.7677 Intermediate Similarity NPC19376
0.7677 Intermediate Similarity NPC473158
0.7677 Intermediate Similarity NPC73004
0.7677 Intermediate Similarity NPC173744
0.7677 Intermediate Similarity NPC207922
0.767 Intermediate Similarity NPC284865
0.766 Intermediate Similarity NPC477579
0.766 Intermediate Similarity NPC72638
0.766 Intermediate Similarity NPC235341
0.766 Intermediate Similarity NPC95594
0.7653 Intermediate Similarity NPC148964
0.7653 Intermediate Similarity NPC184006
0.7653 Intermediate Similarity NPC78580
0.7653 Intermediate Similarity NPC209868
0.7653 Intermediate Similarity NPC188102
0.7653 Intermediate Similarity NPC23621
0.7653 Intermediate Similarity NPC222047
0.7647 Intermediate Similarity NPC258547
0.7647 Intermediate Similarity NPC283343
0.7647 Intermediate Similarity NPC80781
0.764 Intermediate Similarity NPC149249
0.7634 Intermediate Similarity NPC171789
0.7634 Intermediate Similarity NPC473157
0.7629 Intermediate Similarity NPC233455
0.7629 Intermediate Similarity NPC4036
0.7629 Intermediate Similarity NPC65120
0.7629 Intermediate Similarity NPC474525
0.7629 Intermediate Similarity NPC158030
0.7629 Intermediate Similarity NPC145067
0.7629 Intermediate Similarity NPC38754
0.7629 Intermediate Similarity NPC105189
0.7629 Intermediate Similarity NPC473166
0.7615 Intermediate Similarity NPC44170
0.7609 Intermediate Similarity NPC163236
0.7609 Intermediate Similarity NPC304285
0.7604 Intermediate Similarity NPC143232
0.7604 Intermediate Similarity NPC290972
0.7604 Intermediate Similarity NPC225585
0.7604 Intermediate Similarity NPC234346
0.7604 Intermediate Similarity NPC469323
0.7604 Intermediate Similarity NPC121798
0.7604 Intermediate Similarity NPC293048
0.7604 Intermediate Similarity NPC130520
0.7604 Intermediate Similarity NPC470588
0.7604 Intermediate Similarity NPC64872
0.7604 Intermediate Similarity NPC127689
0.7604 Intermediate Similarity NPC25906
0.7604 Intermediate Similarity NPC229871
0.7604 Intermediate Similarity NPC469319
0.7604 Intermediate Similarity NPC274330
0.7604 Intermediate Similarity NPC270768
0.7604 Intermediate Similarity NPC59263
0.7604 Intermediate Similarity NPC30522
0.7604 Intermediate Similarity NPC263393
0.7604 Intermediate Similarity NPC198664
0.7604 Intermediate Similarity NPC61543
0.76 Intermediate Similarity NPC9613
0.76 Intermediate Similarity NPC151681
0.76 Intermediate Similarity NPC26413
0.76 Intermediate Similarity NPC132753
0.76 Intermediate Similarity NPC175351
0.76 Intermediate Similarity NPC247139
0.76 Intermediate Similarity NPC43686
0.76 Intermediate Similarity NPC121402
0.76 Intermediate Similarity NPC224356
0.7579 Intermediate Similarity NPC241875
0.7579 Intermediate Similarity NPC138756
0.7579 Intermediate Similarity NPC142415
0.7579 Intermediate Similarity NPC88716
0.7579 Intermediate Similarity NPC90652
0.7579 Intermediate Similarity NPC102683
0.7579 Intermediate Similarity NPC307426
0.7579 Intermediate Similarity NPC171203
0.7579 Intermediate Similarity NPC130577
0.7579 Intermediate Similarity NPC18064
0.7579 Intermediate Similarity NPC469317
0.7579 Intermediate Similarity NPC68160

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC141447 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
0.7629 Intermediate Similarity NPD7515 Phase 2
0.7475 Intermediate Similarity NPD7748 Approved
0.7263 Intermediate Similarity NPD4786 Approved
0.7255 Intermediate Similarity NPD7902 Approved
0.7234 Intermediate Similarity NPD3667 Approved
0.7232 Intermediate Similarity NPD7115 Discovery
0.7097 Intermediate Similarity NPD7645 Phase 2
0.7083 Intermediate Similarity NPD3665 Phase 1
0.7083 Intermediate Similarity NPD3666 Approved
0.7083 Intermediate Similarity NPD3133 Approved
0.7071 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3617 Approved
0.6961 Remote Similarity NPD7900 Approved
0.6961 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6939 Remote Similarity NPD3618 Phase 1
0.693 Remote Similarity NPD8295 Clinical (unspecified phase)
0.69 Remote Similarity NPD5328 Approved
0.6881 Remote Similarity NPD6412 Phase 2
0.6863 Remote Similarity NPD6399 Phase 3
0.6857 Remote Similarity NPD7638 Approved
0.6857 Remote Similarity NPD4225 Approved
0.6842 Remote Similarity NPD4695 Discontinued
0.6837 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6686 Approved
0.6818 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6804 Remote Similarity NPD4788 Approved
0.68 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6792 Remote Similarity NPD7639 Approved
0.6792 Remote Similarity NPD7640 Approved
0.6768 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6765 Remote Similarity NPD6079 Approved
0.6735 Remote Similarity NPD3668 Phase 3
0.6733 Remote Similarity NPD4753 Phase 2
0.6723 Remote Similarity NPD8328 Phase 3
0.6696 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7632 Discontinued
0.6604 Remote Similarity NPD6084 Phase 2
0.6604 Remote Similarity NPD6083 Phase 2
0.6602 Remote Similarity NPD6411 Approved
0.6602 Remote Similarity NPD8035 Phase 2
0.6602 Remote Similarity NPD8034 Phase 2
0.66 Remote Similarity NPD7146 Approved
0.66 Remote Similarity NPD6409 Approved
0.66 Remote Similarity NPD7334 Approved
0.66 Remote Similarity NPD7521 Approved
0.66 Remote Similarity NPD5279 Phase 3
0.66 Remote Similarity NPD4519 Discontinued
0.66 Remote Similarity NPD6684 Approved
0.66 Remote Similarity NPD5330 Approved
0.66 Remote Similarity NPD4623 Approved
0.6593 Remote Similarity NPD4245 Approved
0.6593 Remote Similarity NPD4244 Approved
0.6538 Remote Similarity NPD4202 Approved
0.6531 Remote Similarity NPD4223 Phase 3
0.6531 Remote Similarity NPD4221 Approved
0.6531 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6522 Remote Similarity NPD8133 Approved
0.6522 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6509 Remote Similarity NPD7614 Phase 1
0.6509 Remote Similarity NPD5222 Approved
0.6509 Remote Similarity NPD5221 Approved
0.6509 Remote Similarity NPD4697 Phase 3
0.65 Remote Similarity NPD5329 Approved
0.6484 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6484 Remote Similarity NPD3698 Phase 2
0.6484 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6672 Approved
0.6471 Remote Similarity NPD5737 Approved
0.6471 Remote Similarity NPD6903 Approved
0.6452 Remote Similarity NPD7319 Approved
0.6449 Remote Similarity NPD5173 Approved
0.6449 Remote Similarity NPD4755 Approved
0.6429 Remote Similarity NPD4692 Approved
0.6429 Remote Similarity NPD4139 Approved
0.6429 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6422 Remote Similarity NPD4159 Approved
0.6415 Remote Similarity NPD5210 Approved
0.6415 Remote Similarity NPD4629 Approved
0.6413 Remote Similarity NPD4789 Approved
0.6408 Remote Similarity NPD6101 Approved
0.6408 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6404 Remote Similarity NPD4634 Approved
0.64 Remote Similarity NPD4197 Approved
0.6381 Remote Similarity NPD5779 Approved
0.6381 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD5211 Phase 2
0.6355 Remote Similarity NPD7732 Phase 3
0.6346 Remote Similarity NPD5785 Approved
0.6341 Remote Similarity NPD7507 Approved
0.6339 Remote Similarity NPD6675 Approved
0.6339 Remote Similarity NPD6402 Approved
0.6339 Remote Similarity NPD5739 Approved
0.6339 Remote Similarity NPD7128 Approved
0.6337 Remote Similarity NPD1694 Approved
0.633 Remote Similarity NPD5285 Approved
0.633 Remote Similarity NPD4696 Approved
0.633 Remote Similarity NPD5286 Approved
0.633 Remote Similarity NPD4700 Approved
0.6327 Remote Similarity NPD7525 Registered
0.6316 Remote Similarity NPD7339 Approved
0.6316 Remote Similarity NPD6942 Approved
0.6293 Remote Similarity NPD8297 Approved
0.6286 Remote Similarity NPD5693 Phase 1
0.6275 Remote Similarity NPD4688 Approved
0.6275 Remote Similarity NPD4690 Approved
0.6275 Remote Similarity NPD4693 Phase 3
0.6275 Remote Similarity NPD5205 Approved
0.6275 Remote Similarity NPD4138 Approved
0.6275 Remote Similarity NPD4689 Approved
0.6273 Remote Similarity NPD5223 Approved
0.6262 Remote Similarity NPD5695 Phase 3
0.625 Remote Similarity NPD6117 Approved
0.625 Remote Similarity NPD5141 Approved
0.625 Remote Similarity NPD3701 Clinical (unspecified phase)
0.625 Remote Similarity NPD6051 Approved
0.6239 Remote Similarity NPD4632 Approved
0.6239 Remote Similarity NPD5696 Approved
0.6228 Remote Similarity NPD6899 Approved
0.6228 Remote Similarity NPD7320 Approved
0.6228 Remote Similarity NPD6881 Approved
0.6222 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6216 Remote Similarity NPD5225 Approved
0.6216 Remote Similarity NPD5226 Approved
0.6216 Remote Similarity NPD5224 Approved
0.6216 Remote Similarity NPD4633 Approved
0.6214 Remote Similarity NPD7524 Approved
0.6211 Remote Similarity NPD6113 Clinical (unspecified phase)
0.62 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6198 Remote Similarity NPD6059 Approved
0.6198 Remote Similarity NPD6054 Approved
0.6198 Remote Similarity NPD6319 Approved
0.619 Remote Similarity NPD6698 Approved
0.619 Remote Similarity NPD46 Approved
0.6186 Remote Similarity NPD6116 Phase 1
0.6174 Remote Similarity NPD6373 Approved
0.6174 Remote Similarity NPD6372 Approved
0.6161 Remote Similarity NPD5175 Approved
0.6161 Remote Similarity NPD5174 Approved
0.6161 Remote Similarity NPD4754 Approved
0.6148 Remote Similarity NPD7503 Approved
0.6148 Remote Similarity NPD6921 Approved
0.6146 Remote Similarity NPD3703 Phase 2
0.614 Remote Similarity NPD5697 Approved
0.614 Remote Similarity NPD5701 Approved
0.6139 Remote Similarity NPD6110 Phase 1
0.6132 Remote Similarity NPD7637 Suspended
0.6122 Remote Similarity NPD6697 Approved
0.6122 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6122 Remote Similarity NPD6118 Approved
0.6122 Remote Similarity NPD6114 Approved
0.6122 Remote Similarity NPD6115 Approved
0.6121 Remote Similarity NPD7102 Approved
0.6121 Remote Similarity NPD6883 Approved
0.6121 Remote Similarity NPD6371 Approved
0.6121 Remote Similarity NPD7290 Approved
0.6117 Remote Similarity NPD5690 Phase 2
0.6117 Remote Similarity NPD4694 Approved
0.6117 Remote Similarity NPD6098 Approved
0.6117 Remote Similarity NPD5280 Approved
0.6116 Remote Similarity NPD7516 Approved
0.6111 Remote Similarity NPD7736 Approved
0.6098 Remote Similarity NPD6370 Approved
0.6095 Remote Similarity NPD6904 Approved
0.6095 Remote Similarity NPD6673 Approved
0.6095 Remote Similarity NPD6080 Approved
0.6087 Remote Similarity NPD6011 Approved
0.6082 Remote Similarity NPD6933 Approved
0.6068 Remote Similarity NPD6650 Approved
0.6068 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6068 Remote Similarity NPD8130 Phase 1
0.6068 Remote Similarity NPD6649 Approved
0.6068 Remote Similarity NPD6869 Approved
0.6068 Remote Similarity NPD6847 Approved
0.6068 Remote Similarity NPD6617 Approved
0.6066 Remote Similarity NPD8377 Approved
0.6066 Remote Similarity NPD8294 Approved
0.6058 Remote Similarity NPD3573 Approved
0.6053 Remote Similarity NPD4767 Approved
0.6053 Remote Similarity NPD4768 Approved
0.6044 Remote Similarity NPD7341 Phase 2
0.604 Remote Similarity NPD4270 Approved
0.604 Remote Similarity NPD4269 Approved
0.6034 Remote Similarity NPD6012 Approved
0.6034 Remote Similarity NPD6013 Approved
0.6034 Remote Similarity NPD6014 Approved
0.6033 Remote Similarity NPD7327 Approved
0.6033 Remote Similarity NPD7328 Approved
0.6022 Remote Similarity NPD5360 Phase 3
0.6022 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6017 Remote Similarity NPD6053 Discontinued
0.6017 Remote Similarity NPD6882 Approved
0.6016 Remote Similarity NPD8296 Approved
0.6016 Remote Similarity NPD8517 Approved
0.6016 Remote Similarity NPD8380 Approved
0.6016 Remote Similarity NPD8379 Approved
0.6016 Remote Similarity NPD8515 Approved

Structure

External Identifiers

PubChem CID   44235900
ChEMBL   CHEMBL1783829
ZINC  

Physicochemical Properties

Molecular Weight:  486.37
ALogP:  1.1169
MLogP:  4.43
XLogP:  7.791
# Rotatable Bonds:  12
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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