Natural Product: NPC248830

Natural Product ID:  NPC248830
Common Name:   30-Hydroxylupeol
IUPAC Name:   (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Synonyms:   30-Hydroxylupeol
Molecular Formula:   C30H50O2
Standard InCHIKey:  ZNUAKACHFYTNFX-QGTGJCAVSA-N
Standard InCHI:  InChI=1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
Canonical SMILES:  OCC(=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
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
NPO19692 Quercus variabilis Species Fagaceae Eukaryota UNPD*
NPO13673 Ipomoea muelleri Species Convolvulaceae Eukaryota UNPD*
NPO22423 Microtropis fokienensis Species Celastraceae Eukaryota Leaves PMID[17125218]
NPO33010 euonymus carnosus Species Celastraceae Eukaryota Plant PMID[24467317]
NPO16746 Lendenfeldia frondosa Species Thorectidae Eukaryota UNPD*
NPO23370 Sticta mougeotiana Species Lobariaceae Eukaryota UNPD*
NPO32825 cassine xylocarpa Species Celastraceae Eukaryota dried stems Ahuachapan, El Salvado PMID[25927586]
NPO15393 Eucalyptus flocktoniae Species Myrtaceae Eukaryota UNPD*
NPO11194 Bombus hortorum Species Apidae Eukaryota UNPD*
NPO26017 Dalbergia stipulacea Species Fabaceae Eukaryota UNPD*
NPO11599 Elaeagnus commutata Species Elaeagnaceae Eukaryota UNPD*
NPO11777 Pluchea sericea Species Asteraceae Eukaryota UNPD*
NPO9420 Aspergillus arenarius Species Aspergillaceae Eukaryota UNPD*
NPO5269 Coleus garckeanus Species Lamiaceae Eukaryota UNPD*
NPO18659 Prunus japonica Species Rosaceae Eukaryota UNPD*
NPO14711.1 Arabidopsis lyrata subsp. lyrata Subspecies Brassicaceae Eukaryota UNPD*
NPO16040 Pristimera indica Species Celastraceae Eukaryota UNPD*
NPO8499 Osmerus mordax Species Osmeridae Eukaryota UNPD*
NPO16516 Centaurea seridis Species Asteraceae Eukaryota UNPD*
NPO2353 Bituminaria bituminosa Species Fabaceae Eukaryota UNPD*
NPO14826 Streptomyces mobaraensis Species Streptomycetaceae Bacteria UNPD*
NPO24417 Centaurea hololeuca Species Asteraceae Eukaryota UNPD*
NPO11881 Adenopeltis colliguaya Species Euphorbiaceae Eukaryota UNPD*
NPO12977 Solenopsis invicta Species Formicidae Eukaryota UNPD*
NPO25232 Peperomia heyneana Species Piperaceae Eukaryota UNPD*
NPO5731 Euphorbia humifusa Species Euphorbiaceae Eukaryota UNPD*
NPO5552 Solanum sisymbriifolium Species Solanaceae Eukaryota UNPD*
NPO5728 Gerbera piloselloides Species Asteraceae Eukaryota UNPD*
NPO12450 Cneorum pulverulentum Species Rutaceae Eukaryota UNPD*
NPO16903 Chisocheton siamensis Species Meliaceae Eukaryota UNPD*
NPO28174 Poterium sanguisorba Species Rosaceae Eukaryota UNPD*
NPO18252 Cajanus cajan Species Fabaceae Eukaryota UNPD*
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota UNPD*
NPO14869 Ormosia panamensis Species Limoniidae Eukaryota UNPD*
NPO13375 Palafoxia rosea Species Asteraceae Eukaryota UNPD*
NPO24927 Calyx podatypa Species Phloeodictyidae Eukaryota UNPD*
NPO13548 Chrozophora obliqua Species Euphorbiaceae Eukaryota UNPD*
NPO14034 Salvia coulteri Species Lamiaceae Eukaryota UNPD*
NPO15138 Rheum webbianum Species Polygonaceae Eukaryota UNPD*
NPO3022 Toxicopueraria peduncularis Species Fabaceae Eukaryota UNPD*
NPO14953 Thapsia transtagana Species Apiaceae Eukaryota UNPD*
NPO8818 Rohdea wattii Species Asparagaceae Eukaryota UNPD*
NPO14555 Porella swartziana Species Porellaceae Eukaryota UNPD*
NPO16758 Satureja cuneifolia Species Lamiaceae Eukaryota UNPD*
NPO13859 Senecio flavus Species Asteraceae Eukaryota UNPD*
NPO17440 Thryptomene kochii Species Myrtaceae Eukaryota UNPD*
NPO4267 Ceratocystis clavigera Species Ceratocystidaceae Eukaryota UNPD*
NPO13230 Pedicularis condensata Species Orobanchaceae Eukaryota UNPD*
NPO11042 Lecanora sordida Species Lecanoraceae Eukaryota UNPD*
NPO12555 Aspergillus quadrilineatus Species Aspergillaceae Eukaryota UNPD*
NPO16847 Consolida ajacis Species Ranunculaceae Eukaryota UNPD*
NPO18008 Viburnum rhytidophyllum Species Adoxaceae Eukaryota UNPD*
NPO16428 Millettia conraui Species Fabaceae Eukaryota UNPD*
NPO24732 Cereus weberi Species Sagartiidae Eukaryota UNPD*
NPO2922 Botryosphaeria berengeriana Species Botryosphaeriaceae Eukaryota UNPD*
NPO19073 Uncaria lancifolia Species Rubiaceae Eukaryota UNPD*
NPO6425 Betula davurica Species Betulaceae Eukaryota UNPD*
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria UNPD*
NPO27395 Mandragora officinarum Species Solanaceae Eukaryota UNPD*
NPO12416 Quercus mongolica Species Fagaceae Eukaryota UNPD*
NPO16678 Flindersia brayleyana Species Rutaceae Eukaryota UNPD*
NPO5078 Turraeanthus mannii Species Meliaceae Eukaryota UNPD*
NPO15858 Phoebe formosana Species Lauraceae Eukaryota UNPD*
NPO7484 Salacia chinensis Species Celastraceae Eukaryota UNPD*
NPO14218 Spodoptera littoralis Species Noctuidae Eukaryota UNPD*
NPO16175 Trichia floriformis Species Trichiidae Eukaryota UNPD*
NPO15755 Thymbra spicata Species Lamiaceae Eukaryota UNPD*
NPO15510 Kummerowia striata Species Fabaceae Eukaryota UNPD*
NPO12680 Perityle vaseyi Species Asteraceae Eukaryota UNPD*
NPO4935 Dinemasporium strigosum Species Chaetosphaeriaceae Eukaryota UNPD*
NPO13710 Lyophyllum shimeji Species Lyophyllaceae Eukaryota UNPD*
NPO9780 Merremia umbellata Species Convolvulaceae Eukaryota UNPD*
NPO27107 Coleus coerulescens Species Lamiaceae Eukaryota UNPD*
NPO15015 Meconopsis napaulensis Species Papaveraceae Eukaryota UNPD*
NPO3391 Jungermannia obovata Species Jungermanniaceae Eukaryota UNPD*
NPO19229 Aniba parviflora Species Lauraceae Eukaryota UNPD*
NPO15430 Abutilon grandiflorum Species Malvaceae Eukaryota UNPD*
NPO26370 Iryanthera juruensis Species Myristicaceae Eukaryota UNPD*
NPO29099 Sinocrassula indica Species Crassulaceae Eukaryota UNPD*
NPO26578 Astragalus pamirensis Species Fabaceae Eukaryota UNPD*
NPO18830 Valeriana cardamines Species Caprifoliaceae Eukaryota UNPD*
NPO15961 Sida cordifolia Species Malvaceae Eukaryota UNPD*
NPO18497 Euphorbia aellenii Species Euphorbiaceae Eukaryota UNPD*
NPO25293 Beaumontia brevituba Species Apocynaceae Eukaryota UNPD*
NPO19753 Liabum bourgeaui Species Asteraceae Eukaryota UNPD*
NPO25743 Cassipourea madagascariensis Species Rhizophoraceae Eukaryota Madagascar rainforest PMID[16499334]
NPO15272 Mascarenhasia arborescens Species Apocynaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 = 12.2 ug/ml 16499334
NPT2 Others Unspecified IC50 > 10000 nM 24467317
NPT179 Cell Line A2780 Homo sapiens IC50 > 10000 nM 24467317
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 24467317
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition < 50 % 25927586

  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 NPC248830 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 NPC212241
1.0 High Similarity NPC119355
0.9718 High Similarity NPC212879
0.9718 High Similarity NPC185536
0.9718 High Similarity NPC231256
0.9718 High Similarity NPC240235
0.9718 High Similarity NPC104387
0.9718 High Similarity NPC178383
0.9583 High Similarity NPC78067
0.9583 High Similarity NPC14112
0.9583 High Similarity NPC278091
0.9583 High Similarity NPC93662
0.9583 High Similarity NPC86305
0.9577 High Similarity NPC192638
0.9577 High Similarity NPC25511
0.9577 High Similarity NPC62657
0.9452 High Similarity NPC331618
0.9452 High Similarity NPC257191
0.9452 High Similarity NPC202540
0.9324 High Similarity NPC102708
0.9324 High Similarity NPC301707
0.9324 High Similarity NPC472342
0.9324 High Similarity NPC42853
0.9296 High Similarity NPC111234
0.92 High Similarity NPC116119
0.92 High Similarity NPC49599
0.92 High Similarity NPC80297
0.92 High Similarity NPC472742
0.92 High Similarity NPC49627
0.92 High Similarity NPC475727
0.9189 High Similarity NPC260301
0.9189 High Similarity NPC307336
0.9189 High Similarity NPC138502
0.9178 High Similarity NPC144075
0.9178 High Similarity NPC3403
0.9178 High Similarity NPC230704
0.9178 High Similarity NPC70982
0.9155 High Similarity NPC45296
0.9079 High Similarity NPC475679
0.9067 High Similarity NPC472501
0.9067 High Similarity NPC472500
0.9067 High Similarity NPC472499
0.9054 High Similarity NPC91573
0.9054 High Similarity NPC38141
0.9041 High Similarity NPC5046
0.9041 High Similarity NPC308440
0.9041 High Similarity NPC476736
0.9041 High Similarity NPC49168
0.9041 High Similarity NPC196358
0.9041 High Similarity NPC472503
0.9041 High Similarity NPC145552
0.9041 High Similarity NPC254509
0.8987 High Similarity NPC292553
0.8947 High Similarity NPC24504
0.8947 High Similarity NPC476316
0.8919 High Similarity NPC200243
0.8904 High Similarity NPC195489
0.8904 High Similarity NPC472506
0.8904 High Similarity NPC211009
0.8875 High Similarity NPC168231
0.8875 High Similarity NPC472738
0.8846 High Similarity NPC296701
0.8846 High Similarity NPC218616
0.8831 High Similarity NPC47149
0.8816 High Similarity NPC472502
0.8816 High Similarity NPC31828
0.8816 High Similarity NPC167037
0.8816 High Similarity NPC285761
0.8816 High Similarity NPC6978
0.8816 High Similarity NPC475
0.8816 High Similarity NPC138621
0.8816 High Similarity NPC244385
0.8816 High Similarity NPC477817
0.8816 High Similarity NPC477819
0.88 High Similarity NPC237460
0.8767 High Similarity NPC301226
0.8767 High Similarity NPC164045
0.8765 High Similarity NPC4643
0.8734 High Similarity NPC5280
0.8734 High Similarity NPC475726
0.8734 High Similarity NPC472743
0.8734 High Similarity NPC246956
0.8718 High Similarity NPC157655
0.8701 High Similarity NPC80530
0.8701 High Similarity NPC273410
0.8701 High Similarity NPC30986
0.8701 High Similarity NPC209430
0.8701 High Similarity NPC5604
0.8667 High Similarity NPC103822
0.8659 High Similarity NPC16377
0.8625 High Similarity NPC474482
0.8625 High Similarity NPC475745
0.8625 High Similarity NPC264665
0.8625 High Similarity NPC74595
0.8592 High Similarity NPC142712
0.859 High Similarity NPC102253
0.859 High Similarity NPC295131
0.859 High Similarity NPC236237
0.859 High Similarity NPC13554
0.859 High Similarity NPC322313
0.859 High Similarity NPC78545
0.859 High Similarity NPC71535
0.8571 High Similarity NPC302041
0.8571 High Similarity NPC85346
0.8571 High Similarity NPC474216
0.8571 High Similarity NPC65897
0.8553 High Similarity NPC73875
0.8553 High Similarity NPC189883
0.8533 High Similarity NPC469534
0.8533 High Similarity NPC469593
0.8533 High Similarity NPC469533
0.8519 High Similarity NPC294438
0.8519 High Similarity NPC264317
0.85 High Similarity NPC470929
0.85 High Similarity NPC82623
0.8481 Intermediate Similarity NPC103754
0.8481 Intermediate Similarity NPC474484
0.8472 Intermediate Similarity NPC48079
0.8462 Intermediate Similarity NPC84694
0.8462 Intermediate Similarity NPC109546
0.8462 Intermediate Similarity NPC1319
0.8462 Intermediate Similarity NPC81306
0.8462 Intermediate Similarity NPC143182
0.8462 Intermediate Similarity NPC28862
0.8462 Intermediate Similarity NPC47982
0.8451 Intermediate Similarity NPC27243
0.8451 Intermediate Similarity NPC476737
0.8442 Intermediate Similarity NPC470758
0.8442 Intermediate Similarity NPC214570
0.8442 Intermediate Similarity NPC157996
0.8442 Intermediate Similarity NPC470711
0.8442 Intermediate Similarity NPC34177
0.8442 Intermediate Similarity NPC101475
0.8442 Intermediate Similarity NPC40394
0.8421 Intermediate Similarity NPC322353
0.8421 Intermediate Similarity NPC257347
0.8421 Intermediate Similarity NPC471723
0.8421 Intermediate Similarity NPC141071
0.8421 Intermediate Similarity NPC118508
0.8421 Intermediate Similarity NPC121744
0.8415 Intermediate Similarity NPC2783
0.8415 Intermediate Similarity NPC269396
0.8415 Intermediate Similarity NPC12774
0.8415 Intermediate Similarity NPC98236
0.8395 Intermediate Similarity NPC474233
0.8395 Intermediate Similarity NPC209802
0.8395 Intermediate Similarity NPC256567
0.8375 Intermediate Similarity NPC49964
0.8375 Intermediate Similarity NPC470049
0.8375 Intermediate Similarity NPC87489
0.8375 Intermediate Similarity NPC101462
0.8375 Intermediate Similarity NPC248886
0.8375 Intermediate Similarity NPC477599
0.8375 Intermediate Similarity NPC202389
0.8356 Intermediate Similarity NPC472741
0.8354 Intermediate Similarity NPC241290
0.8354 Intermediate Similarity NPC236112
0.8354 Intermediate Similarity NPC234193
0.8354 Intermediate Similarity NPC206735
0.8354 Intermediate Similarity NPC164840
0.8354 Intermediate Similarity NPC209944
0.8333 Intermediate Similarity NPC470396
0.8333 Intermediate Similarity NPC253807
0.8333 Intermediate Similarity NPC11908
0.8333 Intermediate Similarity NPC230295
0.8333 Intermediate Similarity NPC22955
0.8333 Intermediate Similarity NPC158662
0.8333 Intermediate Similarity NPC275910
0.8333 Intermediate Similarity NPC474989
0.8333 Intermediate Similarity NPC312328
0.8333 Intermediate Similarity NPC98386
0.8333 Intermediate Similarity NPC300499
0.8333 Intermediate Similarity NPC196753
0.8333 Intermediate Similarity NPC473943
0.8333 Intermediate Similarity NPC99168
0.8313 Intermediate Similarity NPC264005
0.8313 Intermediate Similarity NPC470620
0.8313 Intermediate Similarity NPC57469
0.8313 Intermediate Similarity NPC269360
0.8313 Intermediate Similarity NPC33768
0.8312 Intermediate Similarity NPC129165
0.8312 Intermediate Similarity NPC240604
0.8312 Intermediate Similarity NPC120098
0.8312 Intermediate Similarity NPC244488
0.8312 Intermediate Similarity NPC321016
0.8312 Intermediate Similarity NPC300324
0.8312 Intermediate Similarity NPC107059
0.8312 Intermediate Similarity NPC27765
0.8312 Intermediate Similarity NPC202642
0.8312 Intermediate Similarity NPC122418
0.8312 Intermediate Similarity NPC470749
0.8312 Intermediate Similarity NPC247325
0.8312 Intermediate Similarity NPC265328
0.8312 Intermediate Similarity NPC30590
0.8312 Intermediate Similarity NPC46160
0.8312 Intermediate Similarity NPC321381
0.8312 Intermediate Similarity NPC290598
0.8312 Intermediate Similarity NPC134330
0.831 Intermediate Similarity NPC68656
0.8289 Intermediate Similarity NPC100334

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC248830 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
0.859 High Similarity NPD7525 Registered
0.8519 High Similarity NPD7520 Clinical (unspecified phase)
0.8228 Intermediate Similarity NPD7645 Phase 2
0.8182 Intermediate Similarity NPD6942 Approved
0.8182 Intermediate Similarity NPD7339 Approved
0.7848 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD8035 Phase 2
0.7727 Intermediate Similarity NPD8034 Phase 2
0.7595 Intermediate Similarity NPD6924 Approved
0.7595 Intermediate Similarity NPD6926 Approved
0.7561 Intermediate Similarity NPD6929 Approved
0.7529 Intermediate Similarity NPD4786 Approved
0.75 Intermediate Similarity NPD5328 Approved
0.7471 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD6930 Phase 2
0.747 Intermediate Similarity NPD6931 Approved
0.7436 Intermediate Similarity NPD4787 Phase 1
0.7412 Intermediate Similarity NPD4788 Approved
0.7407 Intermediate Similarity NPD6933 Approved
0.7356 Intermediate Similarity NPD3618 Phase 1
0.7342 Intermediate Similarity NPD7150 Approved
0.7342 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD7151 Approved
0.7342 Intermediate Similarity NPD7152 Approved
0.7342 Intermediate Similarity NPD4243 Approved
0.7333 Intermediate Similarity NPD6079 Approved
0.7317 Intermediate Similarity NPD5776 Phase 2
0.7317 Intermediate Similarity NPD6925 Approved
0.7308 Intermediate Similarity NPD6922 Approved
0.7308 Intermediate Similarity NPD6923 Approved
0.7294 Intermediate Similarity NPD3667 Approved
0.7262 Intermediate Similarity NPD4748 Discontinued
0.7229 Intermediate Similarity NPD7145 Approved
0.7215 Intermediate Similarity NPD7143 Approved
0.7215 Intermediate Similarity NPD7144 Approved
0.7209 Intermediate Similarity NPD6695 Phase 3
0.7195 Intermediate Similarity NPD6117 Approved
0.716 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD4784 Approved
0.716 Intermediate Similarity NPD4785 Approved
0.7158 Intermediate Similarity NPD7640 Approved
0.7158 Intermediate Similarity NPD7639 Approved
0.7143 Intermediate Similarity NPD7515 Phase 2
0.7126 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6116 Phase 1
0.7089 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD4202 Approved
0.7059 Intermediate Similarity NPD7509 Discontinued
0.7059 Intermediate Similarity NPD7514 Phase 3
0.7053 Intermediate Similarity NPD7638 Approved
0.7045 Intermediate Similarity NPD6893 Approved
0.7024 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD6118 Approved
0.7024 Intermediate Similarity NPD6114 Approved
0.7024 Intermediate Similarity NPD6115 Approved
0.7024 Intermediate Similarity NPD6697 Approved
0.6977 Remote Similarity NPD6902 Approved
0.6932 Remote Similarity NPD3665 Phase 1
0.6932 Remote Similarity NPD3666 Approved
0.6932 Remote Similarity NPD3133 Approved
0.6905 Remote Similarity NPD6932 Approved
0.6889 Remote Similarity NPD7524 Approved
0.6889 Remote Similarity NPD7750 Discontinued
0.6867 Remote Similarity NPD4190 Phase 3
0.6867 Remote Similarity NPD5275 Approved
0.6867 Remote Similarity NPD3703 Phase 2
0.6867 Remote Similarity NPD8264 Approved
0.686 Remote Similarity NPD6928 Phase 2
0.686 Remote Similarity NPD7332 Phase 2
0.6842 Remote Similarity NPD5221 Approved
0.6842 Remote Similarity NPD4697 Phase 3
0.6842 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5222 Approved
0.6837 Remote Similarity NPD5211 Phase 2
0.6809 Remote Similarity NPD7748 Approved
0.679 Remote Similarity NPD4245 Approved
0.679 Remote Similarity NPD4244 Approved
0.679 Remote Similarity NPD4789 Approved
0.6782 Remote Similarity NPD6898 Phase 1
0.6771 Remote Similarity NPD4755 Approved
0.6771 Remote Similarity NPD5173 Approved
0.675 Remote Similarity NPD5360 Phase 3
0.675 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6744 Remote Similarity NPD4195 Approved
0.6744 Remote Similarity NPD6683 Phase 2
0.6702 Remote Similarity NPD6399 Phase 3
0.67 Remote Similarity NPD5141 Approved
0.6667 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD3698 Phase 2
0.6633 Remote Similarity NPD4696 Approved
0.6633 Remote Similarity NPD5285 Approved
0.6633 Remote Similarity NPD5286 Approved
0.6633 Remote Similarity NPD4700 Approved
0.6598 Remote Similarity NPD7902 Approved
0.6596 Remote Similarity NPD7087 Discontinued
0.6593 Remote Similarity NPD5279 Phase 3
0.6582 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5223 Approved
0.6559 Remote Similarity NPD4753 Phase 2
0.6556 Remote Similarity NPD3668 Phase 3
0.6531 Remote Similarity NPD5290 Discontinued
0.6517 Remote Similarity NPD4221 Approved
0.6517 Remote Similarity NPD4223 Phase 3
0.65 Remote Similarity NPD5225 Approved
0.65 Remote Similarity NPD5226 Approved
0.65 Remote Similarity NPD5224 Approved
0.65 Remote Similarity NPD4633 Approved
0.6484 Remote Similarity NPD5329 Approved
0.6471 Remote Similarity NPD5739 Approved
0.6471 Remote Similarity NPD7128 Approved
0.6471 Remote Similarity NPD6675 Approved
0.6471 Remote Similarity NPD6402 Approved
0.6452 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6437 Remote Similarity NPD3671 Phase 1
0.6436 Remote Similarity NPD5174 Approved
0.6436 Remote Similarity NPD4754 Approved
0.6436 Remote Similarity NPD5175 Approved
0.6383 Remote Similarity NPD6051 Approved
0.6374 Remote Similarity NPD4197 Approved
0.6346 Remote Similarity NPD6899 Approved
0.6346 Remote Similarity NPD6881 Approved
0.6346 Remote Similarity NPD7320 Approved
0.6341 Remote Similarity NPD6705 Phase 1
0.633 Remote Similarity NPD7115 Discovery
0.6311 Remote Similarity NPD4767 Approved
0.6311 Remote Similarity NPD4768 Approved
0.631 Remote Similarity NPD4758 Discontinued
0.6289 Remote Similarity NPD7900 Approved
0.6289 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6372 Approved
0.6286 Remote Similarity NPD6373 Approved
0.6273 Remote Similarity NPD7328 Approved
0.6273 Remote Similarity NPD7327 Approved
0.6263 Remote Similarity NPD6083 Phase 2
0.6263 Remote Similarity NPD6084 Phase 2
0.625 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD5701 Approved
0.625 Remote Similarity NPD3617 Approved
0.625 Remote Similarity NPD7637 Suspended
0.6238 Remote Similarity NPD4159 Approved
0.6237 Remote Similarity NPD6684 Approved
0.6237 Remote Similarity NPD7521 Approved
0.6237 Remote Similarity NPD4693 Phase 3
0.6237 Remote Similarity NPD7334 Approved
0.6237 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6237 Remote Similarity NPD4138 Approved
0.6237 Remote Similarity NPD5330 Approved
0.6237 Remote Similarity NPD7146 Approved
0.6237 Remote Similarity NPD4688 Approved
0.6237 Remote Similarity NPD6409 Approved
0.6237 Remote Similarity NPD4690 Approved
0.6237 Remote Similarity NPD5205 Approved
0.6237 Remote Similarity NPD4689 Approved
0.6226 Remote Similarity NPD7290 Approved
0.6226 Remote Similarity NPD7102 Approved
0.6226 Remote Similarity NPD6883 Approved
0.6224 Remote Similarity NPD4629 Approved
0.6224 Remote Similarity NPD5210 Approved
0.6216 Remote Similarity NPD7516 Approved
0.6204 Remote Similarity NPD8133 Approved
0.6203 Remote Similarity NPD368 Approved
0.62 Remote Similarity NPD4225 Approved
0.619 Remote Similarity NPD4729 Approved
0.619 Remote Similarity NPD5128 Approved
0.619 Remote Similarity NPD6011 Approved
0.619 Remote Similarity NPD5168 Approved
0.619 Remote Similarity NPD4730 Approved
0.6168 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6168 Remote Similarity NPD6847 Approved
0.6168 Remote Similarity NPD6617 Approved
0.6168 Remote Similarity NPD6649 Approved
0.6168 Remote Similarity NPD6869 Approved
0.6168 Remote Similarity NPD6650 Approved
0.6168 Remote Similarity NPD8130 Phase 1
0.6161 Remote Similarity NPD8294 Approved
0.6161 Remote Similarity NPD8377 Approved
0.6146 Remote Similarity NPD7136 Phase 2
0.6146 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6146 Remote Similarity NPD6700 Approved
0.6132 Remote Similarity NPD6012 Approved
0.6132 Remote Similarity NPD6013 Approved
0.6132 Remote Similarity NPD6014 Approved
0.6118 Remote Similarity NPD6081 Approved
0.6111 Remote Similarity NPD6882 Approved
0.6111 Remote Similarity NPD8297 Approved
0.6106 Remote Similarity NPD8378 Approved
0.6106 Remote Similarity NPD8033 Approved
0.6106 Remote Similarity NPD8335 Approved
0.6106 Remote Similarity NPD8296 Approved
0.6106 Remote Similarity NPD8380 Approved
0.6106 Remote Similarity NPD8379 Approved
0.6105 Remote Similarity NPD4723 Approved
0.6105 Remote Similarity NPD6903 Approved
0.6105 Remote Similarity NPD6672 Approved
0.6105 Remote Similarity NPD5737 Approved
0.6105 Remote Similarity NPD4722 Approved
0.6098 Remote Similarity NPD4224 Phase 2

Structure

External Identifiers

PubChem CID   489919
ChEMBL   CHEMBL518390
ZINC  

Physicochemical Properties

Molecular Weight:  442.38
ALogP:  2.1406
MLogP:  4.54
XLogP:  10.02
# Rotatable Bonds:  10
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  32

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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