Natural Product: NPC69101

Natural Product ID:  NPC69101
Common Name:   Moronic Acid
IUPAC Name:   (4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid
Synonyms:   Moronic Acid; Moronicacid
Molecular Formula:   C30H46O3
Standard InCHIKey:  UMYJVVZWBKIXQQ-QALSDZMNSA-N
Standard InCHI:  InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
Canonical SMILES:  OC(=O)[C@]12CC[C@@]3([C@@H](C2=CC(CC1)(C)C)CC[C@H]1[C@@]3(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(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
NPO13178 Ornithoglossum viride Species Colchicaceae Eukaryota UNPD*
NPO31124 Myrceugenia euosma Species Myrtaceae Eukaryota PMID[11678650]
NPO11266 Garcinia cambogia Species Clusiaceae Eukaryota UNPD*
NPO755 Phoradendron reichenbachianum Species Viscaceae Eukaryota Aerial parts PMID[11488459]
NPO10810 Acridocarpus vivy Species Malpighiaceae Eukaryota Madagascar rain forest PMID[15217279]
NPO1995 Rhodopseudomonas palustris Species Bradyrhizobiaceae Bacteria UNPD*
NPO14369 Pocillopora eydouxi Species Pocilloporidae Eukaryota UNPD*
NPO14827 Rhus chinensis Species Anacardiaceae Eukaryota TM-MC*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota TM-MC*
NPO4860 Coccinia grandis Species Cucurbitaceae Eukaryota UNPD*
NPO6185 Rhus potaninii Species Anacardiaceae Eukaryota TM-MC*
NPO17852 Chilo suppressalis Species Crambidae Eukaryota UNPD*
NPO4075 Rhus punjabensis Species Anacardiaceae Eukaryota TM-MC*
NPO17156 Neolitsea zeylanica Species Lauraceae Eukaryota UNPD*
NPO18685 Schlechtendalia chinensis Species Pemphigidae Eukaryota TM-MC*
NPO13473 Anodendron affine Species Apocynaceae Eukaryota UNPD*
NPO12006 Apis mellifera Species Apidae Eukaryota UNPD*
NPO3501 Rohdea aurantiaca Species Asparagaceae Eukaryota UNPD*
NPO14169 Acrocarpia paniculata Species Sargassaceae Eukaryota UNPD*
NPO17384 Festuca versuta Species Poaceae Eukaryota UNPD*
NPO5280 Rubia tetragona Species Rubiaceae Eukaryota UNPD*
NPO13669 Hertia cheirifolia Species Asteraceae Eukaryota UNPD*
NPO22428 Goodenia ovata Species Goodeniaceae Eukaryota UNPD*
NPO12521 Sphaeranthus confertifolius Species Asteraceae Eukaryota UNPD*
NPO3013 Clathria basilana Species Microcionidae Eukaryota UNPD*
NPO7541 Ormosia hosiei Species Fabaceae Eukaryota UNPD*
NPO14470 Polypodium decumanum Species Polypodiidae Eukaryota UNPD*
NPO6716 Amphimedon paraviridis Species Niphatidae Eukaryota UNPD*
NPO12255 Jasminum humile Species Oleaceae Eukaryota UNPD*
NPO18094 Euonymus atropurpureus Species Celastraceae Eukaryota UNPD*
NPO4700 Pertusaria truncata Species Pertusariaceae Eukaryota UNPD*
NPO9569 Licaria chrysophylla Species Lauraceae Eukaryota UNPD*
NPO9416 Ostrea chilensis Species Ostreidae Eukaryota UNPD*
NPO13379 Schizanthus tricolor Species Solanaceae Eukaryota UNPD*
NPO13876 Cedrela salvadorensis Species Meliaceae Eukaryota UNPD*
NPO11842 Petasites laevigatus Species Asteraceae Eukaryota UNPD*
NPO13793 Boronia inornata Species Rutaceae Eukaryota Aerial parts DOI[10.1016/0031-9422(94)00567-D]
NPO13793 Boronia inornata Species Rutaceae Eukaryota Root DOI[10.1016/0031-9422(94)00567-D]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota PMID[10086989]
NPO30083 Evodia meliafolia NA NA NA Stems INDIAN J PHARM SCI,1997,59: 251

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT451 Organism Helicobacter pylori Helicobacter pylori MBC = 0.31 ug/ml 17116667
NPT759 Cell Line H9 Homo sapiens IC50 = 18.6 ug/ml 11678650
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 < 0.1 ug/ml 11678650
NPT2 Others Unspecified Ratio IC50/EC50 > 186 11678650
NPT179 Cell Line A2780 Homo sapiens IC50 = 13.1 ug/ml 15217279
NPT1114 Organism Human immunodeficiency virus Human immunodeficiency virus EC50 < 0.1 ug/ml 14987069
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 < 220 nM 20187635
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 11.2 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 5011.9 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 39810.7 nM PubChem BioAssay data set
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 = 3351 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens IC50 = 15726.01 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens IC50 = 8077 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 631 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 18356.4 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens EC50 = 2270 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens IC50 = 10880 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1852.6 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 = 3579 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 6573.3 nM PubChem BioAssay data set
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 13200 nM 21453996
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 26.3 mg/dl 21453996
NPT2 Others Unspecified IC50 = 51200 nM 21453996
NPT1196 Individual Protein Low molecular weight phosphotyrosine protein phosphatase Homo sapiens IC50 = 27400 nM 21453996
NPT1196 Individual Protein Low molecular weight phosphotyrosine protein phosphatase Homo sapiens IC50 = 20600 nM 21453996
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 15.3 mg/dl 21453996
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 29.2 mg/dl 21453996
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 17.3 mg/dl 21453996
NPT1870 Individual Protein Receptor-type tyrosine-protein phosphatase F (LAR) Homo sapiens IC50 = 45600 nM 21453996
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Ki = 8000 nM 21453996
NPT2 Others Unspecified Potency 8199.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5173.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 33587.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 13200 nM 26961283

  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 NPC69101 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 NPC251779
0.9868 High Similarity NPC263272
0.9868 High Similarity NPC162632
0.9868 High Similarity NPC274050
0.9868 High Similarity NPC267691
0.9615 High Similarity NPC70834
0.9605 High Similarity NPC16394
0.9494 High Similarity NPC96095
0.9359 High Similarity NPC471898
0.9351 High Similarity NPC231431
0.9351 High Similarity NPC199595
0.9342 High Similarity NPC471899
0.9342 High Similarity NPC107039
0.9342 High Similarity NPC471897
0.9268 High Similarity NPC474474
0.9268 High Similarity NPC474511
0.9268 High Similarity NPC1753
0.9241 High Similarity NPC310989
0.9231 High Similarity NPC267517
0.9231 High Similarity NPC37038
0.9221 High Similarity NPC110094
0.9221 High Similarity NPC260385
0.9221 High Similarity NPC280654
0.9211 High Similarity NPC89294
0.9157 High Similarity NPC474700
0.9146 High Similarity NPC158141
0.9146 High Similarity NPC173089
0.9136 High Similarity NPC474537
0.9125 High Similarity NPC200752
0.9114 High Similarity NPC142244
0.9114 High Similarity NPC3915
0.9036 High Similarity NPC17733
0.9036 High Similarity NPC474512
0.9036 High Similarity NPC470629
0.9036 High Similarity NPC290690
0.9036 High Similarity NPC181225
0.9036 High Similarity NPC473242
0.9012 High Similarity NPC312660
0.9012 High Similarity NPC180834
0.8987 High Similarity NPC104545
0.8961 High Similarity NPC69143
0.8941 High Similarity NPC38754
0.8929 High Similarity NPC470588
0.8929 High Similarity NPC274330
0.8929 High Similarity NPC281524
0.8929 High Similarity NPC198664
0.8929 High Similarity NPC143232
0.8916 High Similarity NPC142415
0.8916 High Similarity NPC171203
0.8916 High Similarity NPC71507
0.8916 High Similarity NPC18064
0.8916 High Similarity NPC242468
0.8916 High Similarity NPC98442
0.8916 High Similarity NPC88716
0.8916 High Similarity NPC51700
0.8916 High Similarity NPC307426
0.8916 High Similarity NPC130577
0.8916 High Similarity NPC68160
0.8916 High Similarity NPC293564
0.8916 High Similarity NPC102683
0.8875 High Similarity NPC221647
0.8875 High Similarity NPC278459
0.8875 High Similarity NPC147066
0.8846 High Similarity NPC165711
0.8831 High Similarity NPC279666
0.8831 High Similarity NPC192540
0.8824 High Similarity NPC111110
0.8824 High Similarity NPC126369
0.8824 High Similarity NPC198818
0.8824 High Similarity NPC193750
0.8824 High Similarity NPC474728
0.8824 High Similarity NPC291028
0.8824 High Similarity NPC46441
0.8824 High Similarity NPC470589
0.8816 High Similarity NPC36310
0.881 High Similarity NPC52169
0.881 High Similarity NPC40552
0.881 High Similarity NPC182797
0.881 High Similarity NPC246708
0.8795 High Similarity NPC72638
0.878 High Similarity NPC156981
0.8765 High Similarity NPC260956
0.875 High Similarity NPC477057
0.8736 High Similarity NPC148964
0.8721 High Similarity NPC145067
0.8721 High Similarity NPC471588
0.8721 High Similarity NPC285184
0.8721 High Similarity NPC187722
0.8721 High Similarity NPC105189
0.8721 High Similarity NPC6255
0.8721 High Similarity NPC77099
0.8721 High Similarity NPC474525
0.8721 High Similarity NPC233455
0.8721 High Similarity NPC470590
0.8721 High Similarity NPC158030
0.8721 High Similarity NPC60755
0.8721 High Similarity NPC4036
0.8721 High Similarity NPC65120
0.8706 High Similarity NPC121798
0.8706 High Similarity NPC161751
0.8706 High Similarity NPC263393
0.8706 High Similarity NPC474686
0.8706 High Similarity NPC64872
0.8706 High Similarity NPC61543
0.8706 High Similarity NPC477973
0.8706 High Similarity NPC293048
0.8706 High Similarity NPC290972
0.8706 High Similarity NPC225585
0.8706 High Similarity NPC234346
0.8706 High Similarity NPC127689
0.8706 High Similarity NPC112454
0.8706 High Similarity NPC270768
0.8706 High Similarity NPC25906
0.8706 High Similarity NPC95246
0.8706 High Similarity NPC130520
0.8706 High Similarity NPC474972
0.8706 High Similarity NPC59263
0.8701 High Similarity NPC241854
0.8701 High Similarity NPC283908
0.8701 High Similarity NPC103958
0.8701 High Similarity NPC476046
0.8701 High Similarity NPC255168
0.8701 High Similarity NPC183503
0.8701 High Similarity NPC251970
0.8701 High Similarity NPC161923
0.869 High Similarity NPC73064
0.8684 High Similarity NPC160817
0.8675 High Similarity NPC274724
0.8675 High Similarity NPC469993
0.8675 High Similarity NPC133954
0.8659 High Similarity NPC53733
0.8642 High Similarity NPC201912
0.8642 High Similarity NPC38350
0.8625 High Similarity NPC477371
0.8625 High Similarity NPC192744
0.8621 High Similarity NPC214756
0.8621 High Similarity NPC272075
0.8621 High Similarity NPC263780
0.8621 High Similarity NPC169343
0.8621 High Similarity NPC118519
0.8621 High Similarity NPC202728
0.8621 High Similarity NPC158059
0.8621 High Similarity NPC229281
0.8621 High Similarity NPC295643
0.8621 High Similarity NPC118490
0.8605 High Similarity NPC130278
0.8605 High Similarity NPC210037
0.8605 High Similarity NPC113989
0.8605 High Similarity NPC273621
0.8605 High Similarity NPC290614
0.8605 High Similarity NPC120840
0.8605 High Similarity NPC477872
0.8605 High Similarity NPC86372
0.8605 High Similarity NPC120968
0.8605 High Similarity NPC7260
0.8605 High Similarity NPC172361
0.8605 High Similarity NPC227467
0.8605 High Similarity NPC18872
0.8571 High Similarity NPC213412
0.8571 High Similarity NPC56588
0.8571 High Similarity NPC324063
0.8571 High Similarity NPC475862
0.8571 High Similarity NPC74363
0.8554 High Similarity NPC477289
0.8539 High Similarity NPC157113
0.8539 High Similarity NPC62516
0.8537 High Similarity NPC320514
0.8523 High Similarity NPC209868
0.8523 High Similarity NPC87095
0.8523 High Similarity NPC159365
0.8523 High Similarity NPC6818
0.8523 High Similarity NPC474529
0.8523 High Similarity NPC74751
0.8523 High Similarity NPC191412
0.8523 High Similarity NPC114159
0.8519 High Similarity NPC18955
0.8519 High Similarity NPC2482
0.8506 High Similarity NPC228784
0.8506 High Similarity NPC288833
0.8506 High Similarity NPC52021
0.8506 High Similarity NPC324341
0.8506 High Similarity NPC470036
0.8506 High Similarity NPC966
0.8506 High Similarity NPC282616
0.8506 High Similarity NPC300351
0.8506 High Similarity NPC71074
0.8506 High Similarity NPC84319
0.8506 High Similarity NPC472149
0.8506 High Similarity NPC301244
0.8506 High Similarity NPC235884
0.8506 High Similarity NPC25299
0.8506 High Similarity NPC155120
0.8506 High Similarity NPC306541
0.8506 High Similarity NPC174167
0.85 High Similarity NPC179028
0.85 High Similarity NPC321514
0.8488 Intermediate Similarity NPC30522
0.8481 Intermediate Similarity NPC309399
0.8481 Intermediate Similarity NPC180886
0.8452 Intermediate Similarity NPC29447

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC69101 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
0.8721 High Similarity NPD7515 Phase 2
0.8706 High Similarity NPD7285 Clinical (unspecified phase)
0.8523 High Similarity NPD7748 Approved
0.8242 Intermediate Similarity NPD7902 Approved
0.8118 Intermediate Similarity NPD4786 Approved
0.8095 Intermediate Similarity NPD3667 Approved
0.8072 Intermediate Similarity NPD4695 Discontinued
0.8 Intermediate Similarity NPD6399 Phase 3
0.7955 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD7614 Phase 1
0.7912 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7912 Intermediate Similarity NPD7900 Approved
0.7882 Intermediate Similarity NPD4223 Phase 3
0.7882 Intermediate Similarity NPD4221 Approved
0.7816 Intermediate Similarity NPD5329 Approved
0.7816 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD5330 Approved
0.7727 Intermediate Similarity NPD7146 Approved
0.7727 Intermediate Similarity NPD7521 Approved
0.7727 Intermediate Similarity NPD7334 Approved
0.7727 Intermediate Similarity NPD6684 Approved
0.7727 Intermediate Similarity NPD6409 Approved
0.7727 Intermediate Similarity NPD6098 Approved
0.7701 Intermediate Similarity NPD3665 Phase 1
0.7701 Intermediate Similarity NPD4197 Approved
0.7701 Intermediate Similarity NPD3133 Approved
0.7701 Intermediate Similarity NPD3666 Approved
0.764 Intermediate Similarity NPD3573 Approved
0.7619 Intermediate Similarity NPD3617 Approved
0.7556 Intermediate Similarity NPD6903 Approved
0.7556 Intermediate Similarity NPD6672 Approved
0.7556 Intermediate Similarity NPD5737 Approved
0.7529 Intermediate Similarity NPD7645 Phase 2
0.7528 Intermediate Similarity NPD4623 Approved
0.7528 Intermediate Similarity NPD4519 Discontinued
0.7528 Intermediate Similarity NPD3618 Phase 1
0.7528 Intermediate Similarity NPD5205 Approved
0.7528 Intermediate Similarity NPD4689 Approved
0.7528 Intermediate Similarity NPD4688 Approved
0.7528 Intermediate Similarity NPD4693 Phase 3
0.7528 Intermediate Similarity NPD4138 Approved
0.7528 Intermediate Similarity NPD4690 Approved
0.75 Intermediate Similarity NPD3668 Phase 3
0.75 Intermediate Similarity NPD5281 Approved
0.75 Intermediate Similarity NPD5284 Approved
0.7474 Intermediate Similarity NPD6084 Phase 2
0.7474 Intermediate Similarity NPD6083 Phase 2
0.7473 Intermediate Similarity NPD6080 Approved
0.7473 Intermediate Similarity NPD6673 Approved
0.7473 Intermediate Similarity NPD5328 Approved
0.7473 Intermediate Similarity NPD6904 Approved
0.7368 Intermediate Similarity NPD7732 Phase 3
0.7363 Intermediate Similarity NPD5208 Approved
0.7342 Intermediate Similarity NPD4224 Phase 2
0.7333 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4694 Approved
0.7333 Intermediate Similarity NPD5280 Approved
0.7333 Intermediate Similarity NPD5690 Phase 2
0.7312 Intermediate Similarity NPD8034 Phase 2
0.7312 Intermediate Similarity NPD6079 Approved
0.7312 Intermediate Similarity NPD8035 Phase 2
0.7284 Intermediate Similarity NPD4137 Phase 3
0.7283 Intermediate Similarity NPD4753 Phase 2
0.7263 Intermediate Similarity NPD5695 Phase 3
0.7216 Intermediate Similarity NPD5696 Approved
0.7195 Intermediate Similarity NPD4747 Approved
0.7195 Intermediate Similarity NPD4691 Approved
0.7191 Intermediate Similarity NPD4788 Approved
0.716 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD4692 Approved
0.7159 Intermediate Similarity NPD4139 Approved
0.7143 Intermediate Similarity NPD5279 Phase 3
0.7143 Intermediate Similarity NPD4784 Approved
0.7143 Intermediate Similarity NPD4785 Approved
0.7128 Intermediate Similarity NPD5693 Phase 1
0.7128 Intermediate Similarity NPD6050 Approved
0.7128 Intermediate Similarity NPD6411 Approved
0.7126 Intermediate Similarity NPD4195 Approved
0.7108 Intermediate Similarity NPD6081 Approved
0.7108 Intermediate Similarity NPD4243 Approved
0.7083 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7339 Approved
0.7059 Intermediate Similarity NPD6942 Approved
0.7053 Intermediate Similarity NPD4202 Approved
0.7021 Intermediate Similarity NPD5692 Phase 3
0.7021 Intermediate Similarity NPD5207 Approved
0.6979 Remote Similarity NPD6001 Approved
0.6977 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6966 Remote Similarity NPD8028 Phase 2
0.6961 Remote Similarity NPD5739 Approved
0.6961 Remote Similarity NPD7128 Approved
0.6961 Remote Similarity NPD6675 Approved
0.6961 Remote Similarity NPD6402 Approved
0.6947 Remote Similarity NPD5694 Approved
0.6941 Remote Similarity NPD4058 Approved
0.6941 Remote Similarity NPD5733 Approved
0.6915 Remote Similarity NPD6101 Approved
0.6915 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7331 Phase 2
0.6907 Remote Similarity NPD5210 Approved
0.6907 Remote Similarity NPD4629 Approved
0.6889 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6869 Remote Similarity NPD7638 Approved
0.6842 Remote Similarity NPD4096 Approved
0.6837 Remote Similarity NPD5222 Approved
0.6837 Remote Similarity NPD4697 Phase 3
0.6837 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5221 Approved
0.6827 Remote Similarity NPD7320 Approved
0.6827 Remote Similarity NPD6899 Approved
0.6827 Remote Similarity NPD6881 Approved
0.6809 Remote Similarity NPD4518 Approved
0.68 Remote Similarity NPD7640 Approved
0.68 Remote Similarity NPD7639 Approved
0.68 Remote Similarity NPD6404 Discontinued
0.679 Remote Similarity NPD7341 Phase 2
0.6768 Remote Similarity NPD5173 Approved
0.6768 Remote Similarity NPD4755 Approved
0.6762 Remote Similarity NPD6373 Approved
0.6762 Remote Similarity NPD6372 Approved
0.6747 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6747 Remote Similarity NPD5360 Phase 3
0.6744 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6744 Remote Similarity NPD4687 Approved
0.6731 Remote Similarity NPD5701 Approved
0.6731 Remote Similarity NPD5697 Approved
0.6731 Remote Similarity NPD6412 Phase 2
0.6706 Remote Similarity NPD5276 Approved
0.6701 Remote Similarity NPD5133 Approved
0.6698 Remote Similarity NPD6883 Approved
0.6698 Remote Similarity NPD7290 Approved
0.6698 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD4190 Phase 3
0.6667 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD5275 Approved
0.6636 Remote Similarity NPD7115 Discovery
0.6636 Remote Similarity NPD6650 Approved
0.6636 Remote Similarity NPD8130 Phase 1
0.6636 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6617 Approved
0.6636 Remote Similarity NPD6869 Approved
0.6636 Remote Similarity NPD6649 Approved
0.6636 Remote Similarity NPD6847 Approved
0.6634 Remote Similarity NPD4696 Approved
0.6634 Remote Similarity NPD5285 Approved
0.6634 Remote Similarity NPD5286 Approved
0.6634 Remote Similarity NPD4700 Approved
0.6629 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6604 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6604 Remote Similarity NPD6012 Approved
0.6604 Remote Similarity NPD6014 Approved
0.6604 Remote Similarity NPD6013 Approved
0.6602 Remote Similarity NPD6052 Approved
0.6591 Remote Similarity NPD6117 Approved
0.6588 Remote Similarity NPD4789 Approved
0.6588 Remote Similarity NPD4245 Approved
0.6588 Remote Similarity NPD4244 Approved
0.6579 Remote Similarity NPD8328 Phase 3
0.6574 Remote Similarity NPD8297 Approved
0.6574 Remote Similarity NPD6882 Approved
0.6569 Remote Similarity NPD5223 Approved
0.6566 Remote Similarity NPD5654 Approved
0.6552 Remote Similarity NPD6926 Approved
0.6552 Remote Similarity NPD6924 Approved
0.6531 Remote Similarity NPD5778 Approved
0.6531 Remote Similarity NPD5779 Approved
0.6517 Remote Similarity NPD6116 Phase 1
0.6512 Remote Similarity NPD5777 Approved
0.6512 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6512 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5091 Approved
0.6505 Remote Similarity NPD5226 Approved
0.6505 Remote Similarity NPD5225 Approved
0.6505 Remote Similarity NPD4633 Approved
0.6505 Remote Similarity NPD5224 Approved
0.6505 Remote Similarity NPD5211 Phase 2
0.6489 Remote Similarity NPD1694 Approved
0.6486 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6477 Remote Similarity NPD8039 Approved
0.6476 Remote Similarity NPD6008 Approved
0.6471 Remote Similarity NPD3698 Phase 2
0.6471 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6471 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6444 Remote Similarity NPD6114 Approved
0.6444 Remote Similarity NPD6118 Approved
0.6444 Remote Similarity NPD6115 Approved
0.6444 Remote Similarity NPD6697 Approved
0.6442 Remote Similarity NPD5174 Approved
0.6442 Remote Similarity NPD4754 Approved
0.6442 Remote Similarity NPD5175 Approved
0.6436 Remote Similarity NPD5959 Approved
0.6415 Remote Similarity NPD6614 Approved
0.6413 Remote Similarity NPD5369 Approved
0.6404 Remote Similarity NPD6933 Approved
0.6396 Remote Similarity NPD6868 Approved
0.6392 Remote Similarity NPD6051 Approved
0.6386 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD3196 Approved

Structure

External Identifiers

PubChem CID   489941
ChEMBL   CHEMBL472646
ZINC  

Physicochemical Properties

Molecular Weight:  454.34
ALogP:  2.8271
MLogP:  4.43
XLogP:  9.064
# Rotatable Bonds:  9
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  33

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