Natural Product: NPC246956

Natural Product ID:  NPC246956
Common Name:   3-Hydroxylup-20(29)-En-28-Amide
IUPAC Name:   (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide
Synonyms:  
Molecular Formula:   C30H49NO2
Standard InCHIKey:  MUWODHNJOGREGP-FZFNOLFKSA-N
Standard InCHI:  InChI=1S/C30H49NO2/c1-18(2)19-10-15-30(25(31)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-29(22,28)7/h19-24,32H,1,8-17H2,2-7H3,(H2,31,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
Canonical SMILES:  CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=N)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
NPO24637 Oyedaea verbesinoides Species Asteraceae Eukaryota UNPD*
NPO28797 Hypoxylon carneum Species Xylariaceae Eukaryota UNPD*
NPO25414 Solanum berthaultii Species Solanaceae Eukaryota UNPD*
NPO1145 Coussarea paniculata Species Rubiaceae Eukaryota UNPD*
NPO24203 Sphoeroides vermicularis Species Tetraodontidae Eukaryota UNPD*
NPO22193 Ophioglossum petiolatum Species Ophioglossaceae Eukaryota UNPD*
NPO28843 Astragalus zahlbruckneri Species Fabaceae Eukaryota UNPD*
NPO25289 Lonchocarpus salvadorensis Species Fabaceae Eukaryota UNPD*
NPO25033 Pyrola calliantha Species Ericaceae Eukaryota UNPD*
NPO25233 Crocodylus niloticus Species Crocodylidae Eukaryota UNPD*
NPO24786 Eunicea pinta Species Plexauridae Eukaryota UNPD*
NPO23383 Nigritella suaveolens NA NA NA UNPD*
NPO24984 Hydrocotyle leucocephala Species Araliaceae Eukaryota UNPD*
NPO25563 Axinella cannabina Species Axinellidae Eukaryota UNPD*
NPO7329 Ligularia pleurocaulis Species Asteraceae Eukaryota UNPD*
NPO13482 Nierembergia hippomanica Species Solanaceae Eukaryota UNPD*
NPO24554 Hymenocallis speciosa Species Amaryllidaceae Eukaryota UNPD*
NPO24066 Nocardia brasiliensis Species Nocardiaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT745 Individual Protein G-protein coupled bile acid receptor 1 Homo sapiens EC50 > 10000 nM 19911773
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens EC50 = 0 nM 19911773
NPT2 Others Unspecified EC50 = 9900 nM 26547057
NPT179 Cell Line A2780 Homo sapiens EC50 = 15700 nM 26547057
NPT81 Cell Line A549 Homo sapiens EC50 = 8200 nM 26547057
NPT83 Cell Line MCF7 Homo sapiens EC50 = 10700 nM 26547057
NPT2 Others Unspecified EC50 = 10700 nM 26547057
NPT139 Cell Line HT-29 Homo sapiens EC50 = 10200 nM 26547057
NPT165 Cell Line HeLa Homo sapiens EC50 = 11200 nM 26547057

  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 NPC246956 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
0.8961 High Similarity NPC231256
0.8961 High Similarity NPC104387
0.8961 High Similarity NPC240235
0.8961 High Similarity NPC178383
0.8961 High Similarity NPC212879
0.8846 High Similarity NPC278091
0.8846 High Similarity NPC14112
0.8846 High Similarity NPC78067
0.8846 High Similarity NPC86305
0.8846 High Similarity NPC93662
0.8831 High Similarity NPC192638
0.8831 High Similarity NPC25511
0.8831 High Similarity NPC62657
0.8734 High Similarity NPC202540
0.8734 High Similarity NPC212241
0.8734 High Similarity NPC119355
0.8734 High Similarity NPC248830
0.8625 High Similarity NPC42853
0.8625 High Similarity NPC102708
0.8571 High Similarity NPC111234
0.8519 High Similarity NPC472742
0.8519 High Similarity NPC49627
0.8519 High Similarity NPC80297
0.8519 High Similarity NPC116119
0.8519 High Similarity NPC49599
0.8519 High Similarity NPC475727
0.8481 Intermediate Similarity NPC3403
0.8481 Intermediate Similarity NPC185536
0.8481 Intermediate Similarity NPC70982
0.8481 Intermediate Similarity NPC230704
0.8442 Intermediate Similarity NPC45296
0.8415 Intermediate Similarity NPC475679
0.8375 Intermediate Similarity NPC91573
0.8354 Intermediate Similarity NPC145552
0.8354 Intermediate Similarity NPC472503
0.8354 Intermediate Similarity NPC5046
0.8354 Intermediate Similarity NPC308440
0.8354 Intermediate Similarity NPC196358
0.8354 Intermediate Similarity NPC49168
0.8354 Intermediate Similarity NPC254509
0.8272 Intermediate Similarity NPC257191
0.8272 Intermediate Similarity NPC331618
0.825 Intermediate Similarity NPC200243
0.8228 Intermediate Similarity NPC211009
0.8228 Intermediate Similarity NPC195489
0.8171 Intermediate Similarity NPC477819
0.8171 Intermediate Similarity NPC31828
0.8171 Intermediate Similarity NPC244385
0.8171 Intermediate Similarity NPC167037
0.8171 Intermediate Similarity NPC301707
0.8171 Intermediate Similarity NPC138621
0.8171 Intermediate Similarity NPC285761
0.8171 Intermediate Similarity NPC6978
0.8171 Intermediate Similarity NPC472342
0.8171 Intermediate Similarity NPC477817
0.8148 Intermediate Similarity NPC237460
0.8118 Intermediate Similarity NPC5280
0.8118 Intermediate Similarity NPC475726
0.8118 Intermediate Similarity NPC472743
0.8101 Intermediate Similarity NPC301226
0.8072 Intermediate Similarity NPC273410
0.8072 Intermediate Similarity NPC80530
0.8049 Intermediate Similarity NPC138502
0.8049 Intermediate Similarity NPC307336
0.8049 Intermediate Similarity NPC260301
0.8025 Intermediate Similarity NPC103822
0.8025 Intermediate Similarity NPC144075
0.8023 Intermediate Similarity NPC264665
0.8023 Intermediate Similarity NPC74595
0.8023 Intermediate Similarity NPC474482
0.8023 Intermediate Similarity NPC475745
0.7976 Intermediate Similarity NPC322313
0.7976 Intermediate Similarity NPC236237
0.7976 Intermediate Similarity NPC13554
0.7976 Intermediate Similarity NPC102253
0.7976 Intermediate Similarity NPC71535
0.7976 Intermediate Similarity NPC78545
0.7952 Intermediate Similarity NPC302041
0.7952 Intermediate Similarity NPC65897
0.7952 Intermediate Similarity NPC85346
0.7952 Intermediate Similarity NPC472501
0.7952 Intermediate Similarity NPC472499
0.7952 Intermediate Similarity NPC472500
0.7931 Intermediate Similarity NPC294438
0.7931 Intermediate Similarity NPC292553
0.7931 Intermediate Similarity NPC264317
0.7927 Intermediate Similarity NPC38141
0.7927 Intermediate Similarity NPC73875
0.7927 Intermediate Similarity NPC189883
0.7922 Intermediate Similarity NPC142712
0.7907 Intermediate Similarity NPC470929
0.7901 Intermediate Similarity NPC476736
0.7857 Intermediate Similarity NPC24504
0.7857 Intermediate Similarity NPC476316
0.7857 Intermediate Similarity NPC1319
0.7841 Intermediate Similarity NPC168231
0.7841 Intermediate Similarity NPC472738
0.7841 Intermediate Similarity NPC12774
0.7841 Intermediate Similarity NPC269396
0.7841 Intermediate Similarity NPC98236
0.7841 Intermediate Similarity NPC2783
0.7831 Intermediate Similarity NPC34177
0.7831 Intermediate Similarity NPC40394
0.7831 Intermediate Similarity NPC214570
0.7831 Intermediate Similarity NPC157996
0.7831 Intermediate Similarity NPC101475
0.7821 Intermediate Similarity NPC48079
0.7816 Intermediate Similarity NPC209802
0.7816 Intermediate Similarity NPC474233
0.7805 Intermediate Similarity NPC322353
0.7805 Intermediate Similarity NPC471723
0.7805 Intermediate Similarity NPC121744
0.7805 Intermediate Similarity NPC141071
0.7805 Intermediate Similarity NPC257347
0.7805 Intermediate Similarity NPC118508
0.7792 Intermediate Similarity NPC27243
0.7792 Intermediate Similarity NPC476737
0.7791 Intermediate Similarity NPC296701
0.7791 Intermediate Similarity NPC477599
0.7791 Intermediate Similarity NPC218616
0.7791 Intermediate Similarity NPC248886
0.7778 Intermediate Similarity NPC472506
0.7765 Intermediate Similarity NPC236112
0.7765 Intermediate Similarity NPC47149
0.7765 Intermediate Similarity NPC206735
0.7753 Intermediate Similarity NPC4643
0.7753 Intermediate Similarity NPC264005
0.7753 Intermediate Similarity NPC57469
0.7753 Intermediate Similarity NPC33768
0.7753 Intermediate Similarity NPC269360
0.7738 Intermediate Similarity NPC253807
0.7738 Intermediate Similarity NPC474989
0.7738 Intermediate Similarity NPC300499
0.7738 Intermediate Similarity NPC196753
0.7738 Intermediate Similarity NPC312328
0.7738 Intermediate Similarity NPC99168
0.7738 Intermediate Similarity NPC475
0.7738 Intermediate Similarity NPC158662
0.7738 Intermediate Similarity NPC472502
0.7738 Intermediate Similarity NPC230295
0.7738 Intermediate Similarity NPC275910
0.7738 Intermediate Similarity NPC22955
0.7738 Intermediate Similarity NPC470396
0.7738 Intermediate Similarity NPC98386
0.7722 Intermediate Similarity NPC472741
0.7711 Intermediate Similarity NPC300324
0.7711 Intermediate Similarity NPC129165
0.7711 Intermediate Similarity NPC290598
0.7711 Intermediate Similarity NPC240604
0.7711 Intermediate Similarity NPC27765
0.7711 Intermediate Similarity NPC107059
0.7711 Intermediate Similarity NPC321381
0.7711 Intermediate Similarity NPC202642
0.7711 Intermediate Similarity NPC46160
0.7711 Intermediate Similarity NPC265328
0.7711 Intermediate Similarity NPC120098
0.7711 Intermediate Similarity NPC134330
0.7711 Intermediate Similarity NPC30590
0.7711 Intermediate Similarity NPC122418
0.7711 Intermediate Similarity NPC321016
0.7701 Intermediate Similarity NPC110778
0.7701 Intermediate Similarity NPC477818
0.7701 Intermediate Similarity NPC85095
0.7701 Intermediate Similarity NPC113978
0.7701 Intermediate Similarity NPC232023
0.7701 Intermediate Similarity NPC207013
0.7701 Intermediate Similarity NPC211135
0.7701 Intermediate Similarity NPC216420
0.7683 Intermediate Similarity NPC100334
0.7674 Intermediate Similarity NPC474531
0.7674 Intermediate Similarity NPC157655
0.7667 Intermediate Similarity NPC472739
0.7667 Intermediate Similarity NPC471900
0.7667 Intermediate Similarity NPC474719
0.7667 Intermediate Similarity NPC16377
0.7654 Intermediate Similarity NPC164045
0.7647 Intermediate Similarity NPC5604
0.7647 Intermediate Similarity NPC305835
0.7647 Intermediate Similarity NPC201459
0.7647 Intermediate Similarity NPC209430
0.7647 Intermediate Similarity NPC53744
0.7647 Intermediate Similarity NPC30986
0.7647 Intermediate Similarity NPC472463
0.7647 Intermediate Similarity NPC291379
0.7647 Intermediate Similarity NPC155924
0.764 Intermediate Similarity NPC24277
0.7625 Intermediate Similarity NPC254037
0.7625 Intermediate Similarity NPC129829
0.7625 Intermediate Similarity NPC210323
0.7619 Intermediate Similarity NPC318495
0.7619 Intermediate Similarity NPC90979
0.7619 Intermediate Similarity NPC155986
0.7619 Intermediate Similarity NPC472805
0.7619 Intermediate Similarity NPC198968
0.7614 Intermediate Similarity NPC86238
0.7614 Intermediate Similarity NPC255882
0.759 Intermediate Similarity NPC134847
0.759 Intermediate Similarity NPC136188
0.759 Intermediate Similarity NPC285893
0.759 Intermediate Similarity NPC304309

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC246956 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
0.7976 Intermediate Similarity NPD7525 Registered
0.7931 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD7645 Phase 2
0.759 Intermediate Similarity NPD6942 Approved
0.759 Intermediate Similarity NPD7339 Approved
0.7294 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD8035 Phase 2
0.7234 Intermediate Similarity NPD8034 Phase 2
0.7195 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6705 Phase 1
0.7059 Intermediate Similarity NPD6924 Approved
0.7059 Intermediate Similarity NPD6926 Approved
0.7033 Intermediate Similarity NPD4786 Approved
0.7021 Intermediate Similarity NPD5328 Approved
0.6923 Remote Similarity NPD4788 Approved
0.6905 Remote Similarity NPD4787 Phase 1
0.6897 Remote Similarity NPD6933 Approved
0.6882 Remote Similarity NPD3618 Phase 1
0.6875 Remote Similarity NPD6079 Approved
0.6824 Remote Similarity NPD7152 Approved
0.6824 Remote Similarity NPD4243 Approved
0.6824 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7151 Approved
0.6824 Remote Similarity NPD7150 Approved
0.6824 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6813 Remote Similarity NPD3667 Approved
0.6786 Remote Similarity NPD6923 Approved
0.6786 Remote Similarity NPD6922 Approved
0.6778 Remote Similarity NPD4748 Discontinued
0.6771 Remote Similarity NPD6700 Approved
0.6771 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6737 Remote Similarity NPD4723 Approved
0.6737 Remote Similarity NPD4722 Approved
0.6706 Remote Similarity NPD7144 Approved
0.6706 Remote Similarity NPD7143 Approved
0.6705 Remote Similarity NPD6117 Approved
0.6701 Remote Similarity NPD7515 Phase 2
0.6667 Remote Similarity NPD4785 Approved
0.6667 Remote Similarity NPD4784 Approved
0.6667 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6929 Approved
0.6633 Remote Similarity NPD4202 Approved
0.6632 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6116 Phase 1
0.6593 Remote Similarity NPD6931 Approved
0.6593 Remote Similarity NPD6930 Phase 2
0.6593 Remote Similarity NPD7509 Discontinued
0.6588 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6588 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6556 Remote Similarity NPD6115 Approved
0.6556 Remote Similarity NPD6118 Approved
0.6556 Remote Similarity NPD6114 Approved
0.6556 Remote Similarity NPD6697 Approved
0.6531 Remote Similarity NPD6702 Approved
0.6531 Remote Similarity NPD6703 Approved
0.6489 Remote Similarity NPD3133 Approved
0.6489 Remote Similarity NPD3666 Approved
0.6489 Remote Similarity NPD3665 Phase 1
0.6471 Remote Similarity NPD7638 Approved
0.6444 Remote Similarity NPD6925 Approved
0.6444 Remote Similarity NPD6932 Approved
0.6444 Remote Similarity NPD5776 Phase 2
0.6436 Remote Similarity NPD5221 Approved
0.6436 Remote Similarity NPD5222 Approved
0.6436 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6436 Remote Similarity NPD4697 Phase 3
0.6413 Remote Similarity NPD6928 Phase 2
0.6408 Remote Similarity NPD7640 Approved
0.6408 Remote Similarity NPD7639 Approved
0.6404 Remote Similarity NPD5275 Approved
0.6404 Remote Similarity NPD3703 Phase 2
0.6404 Remote Similarity NPD4190 Phase 3
0.64 Remote Similarity NPD7748 Approved
0.6383 Remote Similarity NPD6695 Phase 3
0.6374 Remote Similarity NPD7145 Approved
0.6373 Remote Similarity NPD4755 Approved
0.6373 Remote Similarity NPD5173 Approved
0.6322 Remote Similarity NPD4245 Approved
0.6322 Remote Similarity NPD4789 Approved
0.6322 Remote Similarity NPD4244 Approved
0.6316 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6304 Remote Similarity NPD4195 Approved
0.6304 Remote Similarity NPD6683 Phase 2
0.63 Remote Similarity NPD6399 Phase 3
0.6279 Remote Similarity NPD5360 Phase 3
0.6279 Remote Similarity NPD5361 Clinical (unspecified phase)
0.625 Remote Similarity NPD5286 Approved
0.625 Remote Similarity NPD5285 Approved
0.625 Remote Similarity NPD6893 Approved
0.625 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD8418 Phase 2
0.625 Remote Similarity NPD4700 Approved
0.6237 Remote Similarity NPD7514 Phase 3
0.6214 Remote Similarity NPD7920 Phase 3
0.6214 Remote Similarity NPD7902 Approved
0.6214 Remote Similarity NPD7919 Phase 3
0.6207 Remote Similarity NPD3698 Phase 2
0.6196 Remote Similarity NPD7322 Clinical (unspecified phase)
0.619 Remote Similarity NPD5223 Approved
0.619 Remote Similarity NPD4159 Approved
0.6186 Remote Similarity NPD5279 Phase 3
0.6186 Remote Similarity NPD8308 Discontinued
0.617 Remote Similarity NPD6902 Approved
0.6162 Remote Similarity NPD4753 Phase 2
0.6154 Remote Similarity NPD8088 Phase 1
0.6154 Remote Similarity NPD5290 Discontinued
0.6146 Remote Similarity NPD3668 Phase 3
0.6136 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6939 Phase 2
0.6132 Remote Similarity NPD5224 Approved
0.6132 Remote Similarity NPD5211 Phase 2
0.6132 Remote Similarity NPD5226 Approved
0.6132 Remote Similarity NPD4633 Approved
0.6132 Remote Similarity NPD5225 Approved
0.6122 Remote Similarity NPD7750 Discontinued
0.6122 Remote Similarity NPD7524 Approved
0.6118 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7128 Approved
0.6111 Remote Similarity NPD6675 Approved
0.6111 Remote Similarity NPD6402 Approved
0.6111 Remote Similarity NPD5739 Approved
0.6105 Remote Similarity NPD4221 Approved
0.6105 Remote Similarity NPD4223 Phase 3
0.6082 Remote Similarity NPD5329 Approved
0.6078 Remote Similarity NPD5771 Approved
0.6078 Remote Similarity NPD5707 Approved
0.6075 Remote Similarity NPD5175 Approved
0.6075 Remote Similarity NPD5174 Approved
0.6075 Remote Similarity NPD4754 Approved
0.6064 Remote Similarity NPD7332 Phase 2
0.6061 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6044 Remote Similarity NPD8264 Approved
0.6022 Remote Similarity NPD3671 Phase 1
0.6019 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD6881 Approved
0.6 Remote Similarity NPD6898 Phase 1
0.6 Remote Similarity NPD6899 Approved
0.6 Remote Similarity NPD7320 Approved
0.5981 Remote Similarity NPD7632 Discontinued
0.5979 Remote Similarity NPD4197 Approved
0.5978 Remote Similarity NPD1346 Approved
0.5963 Remote Similarity NPD4768 Approved
0.5963 Remote Similarity NPD4767 Approved
0.5946 Remote Similarity NPD6373 Approved
0.5946 Remote Similarity NPD6372 Approved
0.5943 Remote Similarity NPD6404 Discontinued
0.5941 Remote Similarity NPD4001 Clinical (unspecified phase)
0.5922 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5922 Remote Similarity NPD7900 Approved
0.5909 Remote Similarity NPD5697 Approved
0.5909 Remote Similarity NPD5701 Approved
0.5905 Remote Similarity NPD6084 Phase 2
0.5905 Remote Similarity NPD6083 Phase 2
0.5893 Remote Similarity NPD6883 Approved
0.5893 Remote Similarity NPD7102 Approved
0.5893 Remote Similarity NPD7290 Approved
0.5889 Remote Similarity NPD4758 Discontinued
0.5882 Remote Similarity NPD7087 Discontinued
0.5865 Remote Similarity NPD4629 Approved
0.5865 Remote Similarity NPD5210 Approved
0.5865 Remote Similarity NPD7991 Discontinued
0.5859 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5859 Remote Similarity NPD5330 Approved
0.5859 Remote Similarity NPD7146 Approved
0.5859 Remote Similarity NPD4693 Phase 3
0.5859 Remote Similarity NPD7521 Approved
0.5859 Remote Similarity NPD6409 Approved
0.5859 Remote Similarity NPD6684 Approved
0.5859 Remote Similarity NPD4689 Approved
0.5859 Remote Similarity NPD5205 Approved
0.5859 Remote Similarity NPD4688 Approved
0.5859 Remote Similarity NPD7334 Approved
0.5859 Remote Similarity NPD4138 Approved
0.5859 Remote Similarity NPD4690 Approved
0.5856 Remote Similarity NPD5168 Approved
0.5856 Remote Similarity NPD4730 Approved
0.5856 Remote Similarity NPD5128 Approved
0.5856 Remote Similarity NPD6011 Approved
0.5856 Remote Similarity NPD4729 Approved
0.5851 Remote Similarity NPD3617 Approved
0.5842 Remote Similarity NPD6051 Approved
0.5841 Remote Similarity NPD6847 Approved
0.5841 Remote Similarity NPD6649 Approved
0.5841 Remote Similarity NPD6869 Approved
0.5841 Remote Similarity NPD6650 Approved
0.5841 Remote Similarity NPD8130 Phase 1
0.5841 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5841 Remote Similarity NPD6617 Approved
0.5812 Remote Similarity NPD7328 Approved
0.5812 Remote Similarity NPD7327 Approved
0.5804 Remote Similarity NPD6013 Approved
0.5804 Remote Similarity NPD6014 Approved
0.5804 Remote Similarity NPD6012 Approved
0.5798 Remote Similarity NPD6908 Approved
0.5798 Remote Similarity NPD6909 Approved
0.5789 Remote Similarity NPD6882 Approved
0.5789 Remote Similarity NPD5354 Approved
0.5789 Remote Similarity NPD8297 Approved
0.5784 Remote Similarity NPD4096 Approved
0.5763 Remote Similarity NPD7516 Approved

Structure

External Identifiers

PubChem CID   10161414
ChEMBL   CHEMBL583224
ZINC  

Physicochemical Properties

Molecular Weight:  455.38
ALogP:  2.5077
MLogP:  4.43
XLogP:  9.813
# Rotatable Bonds:  10
Polar Surface Area:  64.31
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs