Natural Product: NPC167383

Natural Product ID:  NPC167383
Common Name:   Oleanolic Acid 28-O-Beta-D-Glucopyranoside
IUPAC Name:   [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Synonyms:  
Molecular Formula:   C36H58O8
Standard InCHIKey:  KMKFOIBUKYMVRJ-YHFBEQRYSA-N
Standard InCHI:  InChI=1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H](C2(C)C)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)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
NPO28005.2 Panax japonicus var. major (burk.) wu et feng Varieties Araliaceae Eukaryota Root PMID[21417387]
NPO1963 Ilicis cornutae folium immayuri NA NA NA TCMSP*
NPO28005.2 Panax japonicus var. major (burk.) wu et feng Varieties Araliaceae Eukaryota Roots PMID[21417387]
NPO1931 Lycorea ceres Species Nymphalidae Eukaryota UNPD*
NPO18815 Lobophytum cristatum Species Alcyoniidae Eukaryota UNPD*
NPO16664 Salix sachalinensis Species Salicaceae Eukaryota UNPD*
NPO156 Silene nutans Species Caryophyllaceae Eukaryota UNPD*
NPO11459 Parmelia formosana Species Parmeliaceae Eukaryota UNPD*
NPO15071 Lissoclinum perforatum Species Didemnidae Eukaryota UNPD*
NPO881 Aster praealtus Species Asteraceae Eukaryota UNPD*
NPO8494 Pteris longipes Species Pteridaceae Eukaryota UNPD*
NPO17308 Anaptychia heterochroa Species Physciaceae Eukaryota UNPD*
NPO11921 Actinosynnema pretiosum Species Pseudonocardiaceae Bacteria UNPD*
NPO10373 Senna pallida Species Fabaceae Eukaryota UNPD*
NPO9554 Parthenium ligulatum Species Asteraceae Eukaryota UNPD*
NPO773 Siphonaria maura Species Chytriomycetaceae Eukaryota UNPD*
NPO10387 Mandragora vernalis Species Solanaceae Eukaryota UNPD*
NPO8750 Lychnis githago Species Caryophyllaceae Eukaryota UNPD*
NPO18475 Achlya bisexualis Species Saprolegniaceae Eukaryota UNPD*
NPO6563 Paramyrothecium roridum Species Stachybotryaceae Eukaryota UNPD*
NPO20986 Eucalyptus torquata Species Myrtaceae Eukaryota UNPD*
NPO1620 Dictyopteris prolifera Species Dictyotaceae Eukaryota UNPD*
NPO8913 Ramariopsis helvola Species Clavariaceae Eukaryota UNPD*
NPO16415 Drypetes paxii Species Putranjivaceae Eukaryota UNPD*
NPO10690 Hexabranchus sanguineus Species Hexabranchidae Eukaryota UNPD*
NPO8098 Strongylocentrotus lividus Species Strongylocentrotidae Eukaryota UNPD*
NPO1532 Chrysanthemum ircutianum Species Asteraceae Eukaryota UNPD*
NPO13487 Rhizosolenia setigera Species Rhizosoleniaceae Eukaryota UNPD*
NPO3067 Frullania nisquallensis Species Frullaniaceae Eukaryota UNPD*
NPO7500 Rhodiola algida Species Crassulaceae Eukaryota UNPD*
NPO12033 Trimusculus peruvianus Species Trimusculidae Eukaryota UNPD*
NPO9437 Acacia aneura Species Fabaceae Eukaryota UNPD*
NPO10972 Lysimachia patungensis Species Primulaceae Eukaryota UNPD*
NPO6196 Aralia armata Species Araliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2681 Individual Protein Glycogen phosphorylase, muscle form Oryctolagus cuniculus IC50 = 293000 nM 18517260
NPT2 Others Unspecified Inhibition = 43.6 % 21417387
NPT2 Others Unspecified IC50 = 9640 nM 21417387
NPT2 Others Unspecified IC50 = 75000 nM 21417387

  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 NPC167383 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 NPC57362
1.0 High Similarity NPC237503
1.0 High Similarity NPC204407
1.0 High Similarity NPC306746
0.9901 High Similarity NPC474589
0.9901 High Similarity NPC476881
0.9901 High Similarity NPC29069
0.9901 High Similarity NPC56713
0.9901 High Similarity NPC476885
0.9901 High Similarity NPC476883
0.9901 High Similarity NPC475296
0.9901 High Similarity NPC102914
0.9901 High Similarity NPC199457
0.9901 High Similarity NPC108709
0.9901 High Similarity NPC476887
0.9901 High Similarity NPC476880
0.9901 High Similarity NPC90856
0.9901 High Similarity NPC127056
0.9901 High Similarity NPC476882
0.9901 High Similarity NPC476886
0.9901 High Similarity NPC59804
0.9901 High Similarity NPC270667
0.9901 High Similarity NPC68419
0.9901 High Similarity NPC476884
0.9901 High Similarity NPC110139
0.9901 High Similarity NPC164194
0.9901 High Similarity NPC174679
0.9901 High Similarity NPC136877
0.9901 High Similarity NPC274507
0.9901 High Similarity NPC7870
0.9901 High Similarity NPC279554
0.9901 High Similarity NPC75747
0.99 High Similarity NPC177246
0.99 High Similarity NPC476123
0.99 High Similarity NPC28198
0.99 High Similarity NPC284807
0.9804 High Similarity NPC235841
0.9804 High Similarity NPC164419
0.9804 High Similarity NPC211798
0.9804 High Similarity NPC179434
0.9804 High Similarity NPC30397
0.9804 High Similarity NPC191763
0.9804 High Similarity NPC108748
0.9804 High Similarity NPC473481
0.9804 High Similarity NPC31839
0.9804 High Similarity NPC297208
0.9802 High Similarity NPC137917
0.9802 High Similarity NPC127853
0.98 High Similarity NPC473538
0.98 High Similarity NPC283849
0.9709 High Similarity NPC475504
0.9709 High Similarity NPC128925
0.9709 High Similarity NPC257468
0.9709 High Similarity NPC469946
0.9709 High Similarity NPC139894
0.9709 High Similarity NPC475516
0.9709 High Similarity NPC101744
0.9709 High Similarity NPC471383
0.9709 High Similarity NPC473373
0.9709 High Similarity NPC109079
0.9709 High Similarity NPC80843
0.9709 High Similarity NPC79718
0.9709 High Similarity NPC471967
0.9709 High Similarity NPC473383
0.9709 High Similarity NPC139044
0.9709 High Similarity NPC46388
0.9709 High Similarity NPC102439
0.9709 High Similarity NPC48249
0.9709 High Similarity NPC1046
0.9709 High Similarity NPC256798
0.9709 High Similarity NPC116794
0.9709 High Similarity NPC37739
0.9709 High Similarity NPC104071
0.9709 High Similarity NPC324875
0.9709 High Similarity NPC10320
0.9709 High Similarity NPC276093
0.9709 High Similarity NPC292677
0.9709 High Similarity NPC104400
0.9706 High Similarity NPC269095
0.9706 High Similarity NPC242611
0.9706 High Similarity NPC78046
0.9706 High Similarity NPC220984
0.97 High Similarity NPC475611
0.9615 High Similarity NPC219180
0.9615 High Similarity NPC163183
0.9615 High Similarity NPC251263
0.9615 High Similarity NPC114287
0.9615 High Similarity NPC473343
0.9615 High Similarity NPC238935
0.9615 High Similarity NPC204458
0.9615 High Similarity NPC96641
0.9615 High Similarity NPC309714
0.9615 High Similarity NPC241909
0.9615 High Similarity NPC258885
0.9615 High Similarity NPC295823
0.9615 High Similarity NPC189884
0.9615 High Similarity NPC475467
0.9615 High Similarity NPC138334
0.9615 High Similarity NPC192600
0.9615 High Similarity NPC166422
0.9615 High Similarity NPC155410
0.9615 High Similarity NPC133818
0.9615 High Similarity NPC473826
0.9615 High Similarity NPC475287
0.9615 High Similarity NPC47063
0.9615 High Similarity NPC174720
0.9615 High Similarity NPC151543
0.9615 High Similarity NPC73318
0.9615 High Similarity NPC271138
0.9615 High Similarity NPC269315
0.9615 High Similarity NPC475208
0.9615 High Similarity NPC114304
0.9615 High Similarity NPC323341
0.9615 High Similarity NPC150400
0.9615 High Similarity NPC124296
0.9615 High Similarity NPC46665
0.9615 High Similarity NPC134835
0.9524 High Similarity NPC475633
0.9524 High Similarity NPC293330
0.9524 High Similarity NPC475140
0.9524 High Similarity NPC227551
0.9524 High Similarity NPC473714
0.9524 High Similarity NPC475486
0.9524 High Similarity NPC65105
0.9524 High Similarity NPC76972
0.9524 High Similarity NPC204414
0.9524 High Similarity NPC123199
0.9524 High Similarity NPC100639
0.9524 High Similarity NPC41061
0.9524 High Similarity NPC469782
0.9524 High Similarity NPC54636
0.9524 High Similarity NPC164389
0.9524 High Similarity NPC67857
0.9524 High Similarity NPC119592
0.9524 High Similarity NPC57484
0.9524 High Similarity NPC4328
0.9524 High Similarity NPC70809
0.9524 High Similarity NPC471385
0.9524 High Similarity NPC161717
0.9524 High Similarity NPC476068
0.9524 High Similarity NPC60557
0.9524 High Similarity NPC298034
0.9524 High Similarity NPC202828
0.9524 High Similarity NPC224381
0.9524 High Similarity NPC305981
0.9524 High Similarity NPC261506
0.9524 High Similarity NPC43550
0.9524 High Similarity NPC236638
0.9524 High Similarity NPC71065
0.9524 High Similarity NPC79643
0.9524 High Similarity NPC250247
0.9524 High Similarity NPC471550
0.9524 High Similarity NPC309907
0.9524 High Similarity NPC475160
0.9524 High Similarity NPC294453
0.9519 High Similarity NPC100383
0.951 High Similarity NPC285576
0.9434 High Similarity NPC476992
0.9434 High Similarity NPC471384
0.9434 High Similarity NPC160415
0.9434 High Similarity NPC288205
0.9434 High Similarity NPC26626
0.9434 High Similarity NPC291903
0.9434 High Similarity NPC37134
0.9434 High Similarity NPC75287
0.9434 High Similarity NPC161674
0.9434 High Similarity NPC305267
0.9434 High Similarity NPC51465
0.9434 High Similarity NPC58448
0.9423 High Similarity NPC190837
0.9406 High Similarity NPC173583
0.9346 High Similarity NPC148417
0.9346 High Similarity NPC300419
0.9346 High Similarity NPC136768
0.9346 High Similarity NPC102505
0.9346 High Similarity NPC471547
0.9346 High Similarity NPC220160
0.9346 High Similarity NPC191827
0.9346 High Similarity NPC323359
0.9346 High Similarity NPC33012
0.9346 High Similarity NPC123522
0.9346 High Similarity NPC473405
0.9346 High Similarity NPC104137
0.9346 High Similarity NPC473824
0.9346 High Similarity NPC85154
0.9346 High Similarity NPC309223
0.9346 High Similarity NPC68175
0.9346 High Similarity NPC185466
0.9346 High Similarity NPC69811
0.9346 High Similarity NPC470876
0.9346 High Similarity NPC110633
0.9346 High Similarity NPC475119
0.9346 High Similarity NPC475209
0.9346 High Similarity NPC473452
0.9346 High Similarity NPC8524
0.9346 High Similarity NPC286457
0.9346 High Similarity NPC475514
0.9333 High Similarity NPC125923
0.9333 High Similarity NPC64106
0.9333 High Similarity NPC65590

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC167383 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
0.9048 High Similarity NPD8132 Clinical (unspecified phase)
0.885 High Similarity NPD8328 Phase 3
0.8818 High Similarity NPD8295 Clinical (unspecified phase)
0.8378 Intermediate Similarity NPD8133 Approved
0.8333 Intermediate Similarity NPD6412 Phase 2
0.8257 Intermediate Similarity NPD6686 Approved
0.8155 Intermediate Similarity NPD7748 Approved
0.8095 Intermediate Similarity NPD7902 Approved
0.8067 Intermediate Similarity NPD7507 Approved
0.7961 Intermediate Similarity NPD7515 Phase 2
0.7949 Intermediate Similarity NPD8377 Approved
0.7949 Intermediate Similarity NPD8294 Approved
0.7881 Intermediate Similarity NPD8378 Approved
0.7881 Intermediate Similarity NPD8296 Approved
0.7881 Intermediate Similarity NPD8380 Approved
0.7881 Intermediate Similarity NPD8379 Approved
0.7881 Intermediate Similarity NPD8033 Approved
0.7881 Intermediate Similarity NPD8335 Approved
0.7869 Intermediate Similarity NPD7319 Approved
0.781 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.781 Intermediate Similarity NPD7900 Approved
0.7787 Intermediate Similarity NPD7736 Approved
0.7778 Intermediate Similarity NPD7328 Approved
0.7778 Intermediate Similarity NPD7327 Approved
0.7712 Intermediate Similarity NPD7516 Approved
0.7583 Intermediate Similarity NPD7503 Approved
0.7583 Intermediate Similarity NPD8516 Approved
0.7583 Intermediate Similarity NPD8515 Approved
0.7583 Intermediate Similarity NPD8513 Phase 3
0.7583 Intermediate Similarity NPD8517 Approved
0.7561 Intermediate Similarity NPD8293 Discontinued
0.7453 Intermediate Similarity NPD8035 Phase 2
0.7453 Intermediate Similarity NPD8034 Phase 2
0.7377 Intermediate Similarity NPD6370 Approved
0.7364 Intermediate Similarity NPD7638 Approved
0.735 Intermediate Similarity NPD8297 Approved
0.735 Intermediate Similarity NPD6882 Approved
0.7345 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD7645 Phase 2
0.7297 Intermediate Similarity NPD7640 Approved
0.7297 Intermediate Similarity NPD7639 Approved
0.7258 Intermediate Similarity NPD7492 Approved
0.725 Intermediate Similarity NPD6009 Approved
0.7241 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6399 Phase 3
0.7213 Intermediate Similarity NPD6054 Approved
0.7213 Intermediate Similarity NPD6059 Approved
0.7213 Intermediate Similarity NPD6319 Approved
0.7212 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD6616 Approved
0.7177 Intermediate Similarity NPD6067 Discontinued
0.7155 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7078 Approved
0.7143 Intermediate Similarity NPD4632 Approved
0.713 Intermediate Similarity NPD7128 Approved
0.713 Intermediate Similarity NPD6402 Approved
0.713 Intermediate Similarity NPD6675 Approved
0.713 Intermediate Similarity NPD5739 Approved
0.7119 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD6373 Approved
0.7094 Intermediate Similarity NPD6372 Approved
0.7034 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6016 Approved
0.7016 Intermediate Similarity NPD6015 Approved
0.7009 Intermediate Similarity NPD7320 Approved
0.7009 Intermediate Similarity NPD6881 Approved
0.7009 Intermediate Similarity NPD6899 Approved
0.6975 Remote Similarity NPD8130 Phase 1
0.6975 Remote Similarity NPD6649 Approved
0.6975 Remote Similarity NPD6650 Approved
0.6972 Remote Similarity NPD6411 Approved
0.6967 Remote Similarity NPD7115 Discovery
0.696 Remote Similarity NPD5988 Approved
0.6923 Remote Similarity NPD5701 Approved
0.6923 Remote Similarity NPD5697 Approved
0.6909 Remote Similarity NPD8171 Discontinued
0.6891 Remote Similarity NPD6883 Approved
0.6891 Remote Similarity NPD7102 Approved
0.6891 Remote Similarity NPD7290 Approved
0.6881 Remote Similarity NPD6698 Approved
0.6881 Remote Similarity NPD46 Approved
0.6852 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6833 Remote Similarity NPD6869 Approved
0.6833 Remote Similarity NPD6847 Approved
0.6833 Remote Similarity NPD6617 Approved
0.6822 Remote Similarity NPD3618 Phase 1
0.6814 Remote Similarity NPD6084 Phase 2
0.6814 Remote Similarity NPD6083 Phase 2
0.6807 Remote Similarity NPD6014 Approved
0.6807 Remote Similarity NPD6012 Approved
0.6807 Remote Similarity NPD6013 Approved
0.6792 Remote Similarity NPD4786 Approved
0.6789 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6789 Remote Similarity NPD6101 Approved
0.6789 Remote Similarity NPD5328 Approved
0.678 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6772 Remote Similarity NPD7604 Phase 2
0.6762 Remote Similarity NPD3667 Approved
0.6759 Remote Similarity NPD3573 Approved
0.6754 Remote Similarity NPD4225 Approved
0.6746 Remote Similarity NPD5983 Phase 2
0.6744 Remote Similarity NPD8074 Phase 3
0.6724 Remote Similarity NPD7632 Discontinued
0.6723 Remote Similarity NPD6011 Approved
0.6695 Remote Similarity NPD6008 Approved
0.6694 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6692 Remote Similarity NPD6033 Approved
0.6667 Remote Similarity NPD7521 Approved
0.6667 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD7146 Approved
0.6667 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD5330 Approved
0.6667 Remote Similarity NPD7983 Approved
0.6667 Remote Similarity NPD7334 Approved
0.6667 Remote Similarity NPD6684 Approved
0.6667 Remote Similarity NPD6409 Approved
0.6667 Remote Similarity NPD6079 Approved
0.6636 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6614 Remote Similarity NPD6921 Approved
0.6613 Remote Similarity NPD6940 Discontinued
0.6612 Remote Similarity NPD4634 Approved
0.6607 Remote Similarity NPD5778 Approved
0.6607 Remote Similarity NPD5779 Approved
0.6607 Remote Similarity NPD4202 Approved
0.6571 Remote Similarity NPD7525 Registered
0.6552 Remote Similarity NPD5286 Approved
0.6552 Remote Similarity NPD4700 Approved
0.6552 Remote Similarity NPD4696 Approved
0.6552 Remote Similarity NPD5285 Approved
0.6545 Remote Similarity NPD5737 Approved
0.6545 Remote Similarity NPD6903 Approved
0.6545 Remote Similarity NPD6672 Approved
0.6542 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6542 Remote Similarity NPD3669 Approved
0.6538 Remote Similarity NPD6697 Approved
0.6538 Remote Similarity NPD6118 Approved
0.6538 Remote Similarity NPD6115 Approved
0.6538 Remote Similarity NPD6114 Approved
0.6493 Remote Similarity NPD8449 Approved
0.6491 Remote Similarity NPD5695 Phase 3
0.6481 Remote Similarity NPD3133 Approved
0.6481 Remote Similarity NPD3666 Approved
0.6481 Remote Similarity NPD3665 Phase 1
0.648 Remote Similarity NPD6274 Approved
0.6466 Remote Similarity NPD5696 Approved
0.6466 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6457 Remote Similarity NPD7101 Approved
0.6457 Remote Similarity NPD7100 Approved
0.6444 Remote Similarity NPD8450 Suspended
0.6442 Remote Similarity NPD6116 Phase 1
0.6441 Remote Similarity NPD5225 Approved
0.6441 Remote Similarity NPD5224 Approved
0.6441 Remote Similarity NPD5226 Approved
0.6441 Remote Similarity NPD4633 Approved
0.6441 Remote Similarity NPD5211 Phase 2
0.6435 Remote Similarity NPD5222 Approved
0.6435 Remote Similarity NPD5221 Approved
0.6435 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6435 Remote Similarity NPD4697 Phase 3
0.6417 Remote Similarity NPD4768 Approved
0.6417 Remote Similarity NPD4767 Approved
0.6387 Remote Similarity NPD5174 Approved
0.6387 Remote Similarity NPD5175 Approved
0.6379 Remote Similarity NPD5173 Approved
0.6378 Remote Similarity NPD6335 Approved
0.6364 Remote Similarity NPD7625 Phase 1
0.6357 Remote Similarity NPD6908 Approved
0.6357 Remote Similarity NPD6909 Approved
0.6356 Remote Similarity NPD5344 Discontinued
0.6356 Remote Similarity NPD5223 Approved
0.6355 Remote Similarity NPD1780 Approved
0.6355 Remote Similarity NPD1779 Approved
0.6349 Remote Similarity NPD6868 Approved
0.6348 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6117 Approved
0.6339 Remote Similarity NPD4753 Phase 2
0.6333 Remote Similarity NPD5141 Approved
0.633 Remote Similarity NPD3668 Phase 3
0.6316 Remote Similarity NPD8336 Approved
0.6316 Remote Similarity NPD8337 Approved
0.6311 Remote Similarity NPD4729 Approved
0.6311 Remote Similarity NPD4730 Approved
0.6299 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6299 Remote Similarity NPD6317 Approved
0.6293 Remote Similarity NPD7839 Suspended
0.6293 Remote Similarity NPD7614 Phase 1
0.6293 Remote Similarity NPD7732 Phase 3
0.6283 Remote Similarity NPD7838 Discovery
0.625 Remote Similarity NPD8338 Approved
0.625 Remote Similarity NPD7641 Discontinued
0.625 Remote Similarity NPD4754 Approved
0.625 Remote Similarity NPD6313 Approved
0.625 Remote Similarity NPD6314 Approved
0.624 Remote Similarity NPD6053 Discontinued
0.6228 Remote Similarity NPD7637 Suspended
0.6222 Remote Similarity NPD5956 Approved
0.6216 Remote Similarity NPD6098 Approved
0.6212 Remote Similarity NPD8342 Approved
0.6212 Remote Similarity NPD8340 Approved
0.6212 Remote Similarity NPD8341 Approved

Structure

External Identifiers

PubChem CID   14189384
ChEMBL   CHEMBL510111
ZINC  

Physicochemical Properties

Molecular Weight:  618.41
ALogP:  0.2254
MLogP:  4.54
XLogP:  7.746
# Rotatable Bonds:  16
Polar Surface Area:  136.68
# H-Bond Aceptor:  8
# H-Bond Donor:  5
# Rings:  6
# Heavy Atoms:  44

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