Natural Product: NPC93739

Natural Product ID:  NPC93739
Common Name:   Physodic Acid
IUPAC Name:   3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
Synonyms:   NSC-685589
Molecular Formula:   C26H30O8
Standard InCHIKey:  KVTYWHGIZSCFLG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
Canonical SMILES:  CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=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
NPO8465 Maesa indica Species Primulaceae Eukaryota UNPD*
NPO5847 Moghania faginea NA NA NA UNPD*
NPO6552 Astrocasia phyllanthoides Species Phyllanthaceae Eukaryota UNPD*
NPO24532 Ula pilosa Species Pediciidae Eukaryota UNPD*
NPO3334 Dicranum japonicum Species Dicranaceae Eukaryota UNPD*
NPO9715 Hypericum richeri Species Hypericaceae Eukaryota UNPD*
NPO7203 Lindera lucida Species Lauraceae Eukaryota UNPD*
NPO9084 Rumex confertus Species Polygonaceae Eukaryota UNPD*
NPO4334 Garcinia griffithii Species Clusiaceae Eukaryota UNPD*
NPO1286 Parmelia furfuracea Species Parmeliaceae Eukaryota UNPD*
NPO9731 Roccella fuciformis Species Roccellaceae Eukaryota UNPD*
NPO6307 Salix lasiolepis Species Salicaceae Eukaryota UNPD*
NPO18984 Aster lautureanus Species Asteraceae Eukaryota UNPD*
NPO4891 Lentinellus ursinus Species Auriscalpiaceae Eukaryota UNPD*
NPO4517 Laggera tomentosa Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 Inhibition = 94 % 9083483
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 Inhibition = 79.5 % 9083483
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 IC50 = 38500 nM 9083483
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 IC50 = 30900 nM 9083483
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 IC50 = 32500 nM 9083483
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 25 ug/ml 7964789
NPT602 Organism Mycobacterium smegmatis Mycobacterium smegmatis Activity = 100 ug/ml 7964789
NPT174 Organism Streptococcus Streptococcus EC50 > 150000 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT1252 Organism Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 = 2358 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 35481.3 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 25059.4 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 = 6670 nM PubChem BioAssay data set
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 = 15899 nM PubChem BioAssay data set
NPT59 Individual Protein DNA polymerase beta Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT1039 Individual Protein Envelope glycoprotein gp160 Human immunodeficiency virus 1 IC50 = 4100 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9285 nM PubChem BioAssay data set
NPT2866 Individual Protein Replicative DNA helicase Mycobacterium tuberculosis AC50 = 2050 nM PubChem BioAssay data set
NPT2867 Individual Protein Protein RecA Mycobacterium tuberculosis EC50 = 3230 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT2866 Individual Protein Replicative DNA helicase Mycobacterium tuberculosis AC50 = 6087 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 1835.6 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT821 Individual Protein Werner syndrome ATP-dependent helicase Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT776 Organism Spodoptera littoralis Spodoptera littoralis ED50 > 0.11 nM 10.1016/0305-1978(94)90001-9
NPT2 Others Unspecified Potency 32642.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 23778.1 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT956 Individual Protein Prostaglandin E synthase Homo sapiens IC50 = 430 nM 10.1039/C5MD00278H
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 > 30000 nM 10.1039/C5MD00278H

  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 NPC93739 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
0.9935 High Similarity NPC284007
0.9871 High Similarity NPC267153
0.9871 High Similarity NPC8070
0.9679 High Similarity NPC300984
0.9677 High Similarity NPC303565
0.9608 High Similarity NPC471800
0.943 High Similarity NPC474350
0.9423 High Similarity NPC238381
0.9379 High Similarity NPC246716
0.9379 High Similarity NPC239440
0.9379 High Similarity NPC20543
0.9325 High Similarity NPC139350
0.9317 High Similarity NPC26568
0.9313 High Similarity NPC20216
0.9308 High Similarity NPC156082
0.9295 High Similarity NPC54928
0.9264 High Similarity NPC181523
0.9259 High Similarity NPC17219
0.9259 High Similarity NPC10576
0.9259 High Similarity NPC1827
0.9255 High Similarity NPC272485
0.9255 High Similarity NPC292788
0.925 High Similarity NPC112981
0.9207 High Similarity NPC289147
0.9198 High Similarity NPC99613
0.9198 High Similarity NPC49487
0.9177 High Similarity NPC83763
0.9177 High Similarity NPC168616
0.9172 High Similarity NPC274730
0.9157 High Similarity NPC113446
0.9156 High Similarity NPC6923
0.9141 High Similarity NPC124470
0.9141 High Similarity NPC109827
0.9119 High Similarity NPC200594
0.9114 High Similarity NPC165977
0.9114 High Similarity NPC241904
0.9114 High Similarity NPC300727
0.9114 High Similarity NPC217677
0.9103 High Similarity NPC289968
0.9097 High Similarity NPC60413
0.9085 High Similarity NPC158226
0.9074 High Similarity NPC29160
0.9057 High Similarity NPC476242
0.9057 High Similarity NPC100123
0.9045 High Similarity NPC475895
0.9045 High Similarity NPC89474
0.9038 High Similarity NPC474663
0.9018 High Similarity NPC234331
0.9006 High Similarity NPC8300
0.9 High Similarity NPC228785
0.9 High Similarity NPC320359
0.9 High Similarity NPC474287
0.9 High Similarity NPC56085
0.9 High Similarity NPC475886
0.9 High Similarity NPC14353
0.9 High Similarity NPC200746
0.8987 High Similarity NPC38898
0.8974 High Similarity NPC29056
0.8963 High Similarity NPC165979
0.8963 High Similarity NPC163130
0.8951 High Similarity NPC234004
0.8944 High Similarity NPC474351
0.8944 High Similarity NPC61010
0.8944 High Similarity NPC66288
0.8944 High Similarity NPC474187
0.8944 High Similarity NPC474186
0.8944 High Similarity NPC475883
0.8944 High Similarity NPC278052
0.8944 High Similarity NPC40491
0.8931 High Similarity NPC142339
0.8931 High Similarity NPC472456
0.8929 High Similarity NPC240887
0.8929 High Similarity NPC470091
0.8929 High Similarity NPC329161
0.8924 High Similarity NPC280937
0.8924 High Similarity NPC250822
0.8924 High Similarity NPC276409
0.8924 High Similarity NPC75279
0.8917 High Similarity NPC117579
0.8917 High Similarity NPC226973
0.8917 High Similarity NPC208043
0.8917 High Similarity NPC198615
0.8917 High Similarity NPC202157
0.891 High Similarity NPC328119
0.8896 High Similarity NPC130920
0.8896 High Similarity NPC134621
0.8896 High Similarity NPC29577
0.8896 High Similarity NPC85057
0.8889 High Similarity NPC25152
0.8889 High Similarity NPC108767
0.8889 High Similarity NPC229632
0.8882 High Similarity NPC139036
0.8882 High Similarity NPC143050
0.8875 High Similarity NPC108456
0.8875 High Similarity NPC181960
0.8875 High Similarity NPC236796
0.8875 High Similarity NPC469584
0.8868 High Similarity NPC196439
0.8868 High Similarity NPC167815
0.8868 High Similarity NPC4455
0.8868 High Similarity NPC138360
0.8868 High Similarity NPC280339
0.8868 High Similarity NPC208197
0.8868 High Similarity NPC472909
0.8868 High Similarity NPC183597
0.8868 High Similarity NPC37392
0.8868 High Similarity NPC2476
0.8868 High Similarity NPC163780
0.8868 High Similarity NPC201136
0.8868 High Similarity NPC146165
0.8868 High Similarity NPC20541
0.8868 High Similarity NPC50715
0.8868 High Similarity NPC92659
0.8868 High Similarity NPC128863
0.8868 High Similarity NPC227325
0.8854 High Similarity NPC179183
0.8854 High Similarity NPC151473
0.8854 High Similarity NPC306821
0.8839 High Similarity NPC237208
0.8834 High Similarity NPC236132
0.8834 High Similarity NPC270837
0.8834 High Similarity NPC220313
0.8834 High Similarity NPC189473
0.8834 High Similarity NPC236521
0.8834 High Similarity NPC133065
0.8834 High Similarity NPC197168
0.8834 High Similarity NPC475985
0.8834 High Similarity NPC248638
0.8834 High Similarity NPC152659
0.8834 High Similarity NPC23298
0.8834 High Similarity NPC7483
0.8831 High Similarity NPC66404
0.8831 High Similarity NPC95123
0.8827 High Similarity NPC258331
0.8824 High Similarity NPC105648
0.882 High Similarity NPC474290
0.882 High Similarity NPC329091
0.8812 High Similarity NPC68093
0.8812 High Similarity NPC474520
0.8812 High Similarity NPC191146
0.8812 High Similarity NPC138243
0.8812 High Similarity NPC178854
0.8805 High Similarity NPC160951
0.8805 High Similarity NPC183878
0.8805 High Similarity NPC22519
0.8805 High Similarity NPC274327
0.8805 High Similarity NPC47781
0.8805 High Similarity NPC86485
0.8805 High Similarity NPC145379
0.8805 High Similarity NPC69394
0.8805 High Similarity NPC176775
0.8805 High Similarity NPC186507
0.8805 High Similarity NPC472915
0.8805 High Similarity NPC246204
0.8805 High Similarity NPC255350
0.8805 High Similarity NPC231018
0.8797 High Similarity NPC133856
0.8797 High Similarity NPC149614
0.8797 High Similarity NPC308451
0.8797 High Similarity NPC204350
0.879 High Similarity NPC474648
0.879 High Similarity NPC106334
0.879 High Similarity NPC285527
0.8782 High Similarity NPC93034
0.8782 High Similarity NPC33265
0.8782 High Similarity NPC119660
0.8782 High Similarity NPC62536
0.8782 High Similarity NPC12305
0.878 High Similarity NPC239752
0.878 High Similarity NPC326520
0.878 High Similarity NPC472450
0.878 High Similarity NPC39306
0.878 High Similarity NPC275780
0.878 High Similarity NPC25361
0.8774 High Similarity NPC312789
0.8773 High Similarity NPC294965
0.8773 High Similarity NPC52204
0.8765 High Similarity NPC119224
0.8765 High Similarity NPC47623
0.8765 High Similarity NPC45146
0.8765 High Similarity NPC235018
0.8758 High Similarity NPC472914
0.8758 High Similarity NPC220106
0.8758 High Similarity NPC222814
0.8758 High Similarity NPC75215
0.8758 High Similarity NPC29841
0.8758 High Similarity NPC136674
0.8758 High Similarity NPC474208
0.8758 High Similarity NPC472911
0.8758 High Similarity NPC224137
0.8758 High Similarity NPC156057
0.8758 High Similarity NPC235215
0.8758 High Similarity NPC474836
0.8758 High Similarity NPC472913
0.8758 High Similarity NPC475267
0.8758 High Similarity NPC78225
0.8758 High Similarity NPC7973
0.8758 High Similarity NPC93376
0.8758 High Similarity NPC476981
0.8758 High Similarity NPC472910

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93739 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
0.8805 High Similarity NPD2801 Approved
0.8659 High Similarity NPD6232 Discontinued
0.8614 High Similarity NPD7473 Discontinued
0.8571 High Similarity NPD1465 Phase 2
0.8519 High Similarity NPD3817 Phase 2
0.8509 High Similarity NPD1934 Approved
0.8402 Intermediate Similarity NPD5844 Phase 1
0.8354 Intermediate Similarity NPD1511 Approved
0.8354 Intermediate Similarity NPD3882 Suspended
0.8354 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD7819 Suspended
0.8344 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8314 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8269 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.825 Intermediate Similarity NPD1512 Approved
0.8235 Intermediate Similarity NPD3818 Discontinued
0.8225 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8225 Intermediate Similarity NPD6166 Phase 2
0.8225 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.821 Intermediate Similarity NPD3226 Approved
0.8204 Intermediate Similarity NPD5494 Approved
0.814 Intermediate Similarity NPD7074 Phase 3
0.811 Intermediate Similarity NPD7411 Suspended
0.8084 Intermediate Similarity NPD3749 Approved
0.8084 Intermediate Similarity NPD7075 Discontinued
0.8081 Intermediate Similarity NPD7054 Approved
0.8075 Intermediate Similarity NPD2534 Approved
0.8075 Intermediate Similarity NPD2533 Approved
0.8075 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD2532 Approved
0.805 Intermediate Similarity NPD3750 Approved
0.8035 Intermediate Similarity NPD7472 Approved
0.8012 Intermediate Similarity NPD6799 Approved
0.8 Intermediate Similarity NPD447 Suspended
0.7989 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD5402 Approved
0.7941 Intermediate Similarity NPD6959 Discontinued
0.7941 Intermediate Similarity NPD1247 Approved
0.7939 Intermediate Similarity NPD6599 Discontinued
0.7911 Intermediate Similarity NPD2935 Discontinued
0.7907 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD7808 Phase 3
0.7886 Intermediate Similarity NPD6797 Phase 2
0.787 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD3926 Phase 2
0.7848 Intermediate Similarity NPD2799 Discontinued
0.7844 Intermediate Similarity NPD6801 Discontinued
0.7841 Intermediate Similarity NPD7251 Discontinued
0.7833 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD4380 Phase 2
0.7824 Intermediate Similarity NPD919 Approved
0.7821 Intermediate Similarity NPD1240 Approved
0.7812 Intermediate Similarity NPD1549 Phase 2
0.7764 Intermediate Similarity NPD2800 Approved
0.7758 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD37 Approved
0.7736 Intermediate Similarity NPD3748 Approved
0.7736 Intermediate Similarity NPD1510 Phase 2
0.7733 Intermediate Similarity NPD7199 Phase 2
0.7722 Intermediate Similarity NPD1607 Approved
0.7719 Intermediate Similarity NPD6234 Discontinued
0.7707 Intermediate Similarity NPD943 Approved
0.7706 Intermediate Similarity NPD4967 Phase 2
0.7706 Intermediate Similarity NPD4965 Approved
0.7706 Intermediate Similarity NPD4966 Approved
0.7688 Intermediate Similarity NPD2796 Approved
0.7658 Intermediate Similarity NPD230 Phase 1
0.7654 Intermediate Similarity NPD1243 Approved
0.7654 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD2346 Discontinued
0.7625 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD7768 Phase 2
0.758 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD3268 Approved
0.7578 Intermediate Similarity NPD1551 Phase 2
0.7571 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD5403 Approved
0.7545 Intermediate Similarity NPD920 Approved
0.7542 Intermediate Similarity NPD6559 Discontinued
0.7516 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4628 Phase 3
0.75 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD5711 Approved
0.7486 Intermediate Similarity NPD5710 Approved
0.7486 Intermediate Similarity NPD5953 Discontinued
0.7484 Intermediate Similarity NPD1203 Approved
0.7473 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD7390 Discontinued
0.7469 Intermediate Similarity NPD6099 Approved
0.7469 Intermediate Similarity NPD6100 Approved
0.7425 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD5401 Approved
0.7423 Intermediate Similarity NPD2344 Approved
0.7416 Intermediate Similarity NPD7228 Approved
0.7396 Intermediate Similarity NPD1653 Approved
0.7394 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD7286 Phase 2
0.7358 Intermediate Similarity NPD2313 Discontinued
0.7345 Intermediate Similarity NPD5242 Approved
0.7342 Intermediate Similarity NPD6832 Phase 2
0.7342 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD8434 Phase 2
0.7329 Intermediate Similarity NPD1933 Approved
0.7318 Intermediate Similarity NPD3751 Discontinued
0.7305 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD9717 Approved
0.729 Intermediate Similarity NPD1608 Approved
0.7288 Intermediate Similarity NPD3787 Discontinued
0.7284 Intermediate Similarity NPD6651 Approved
0.7278 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD8312 Approved
0.7268 Intermediate Similarity NPD8313 Approved
0.7261 Intermediate Similarity NPD2797 Approved
0.7261 Intermediate Similarity NPD3267 Approved
0.7261 Intermediate Similarity NPD3266 Approved
0.7246 Intermediate Similarity NPD6190 Approved
0.7246 Intermediate Similarity NPD2309 Approved
0.7226 Intermediate Similarity NPD422 Phase 1
0.7222 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD2403 Approved
0.7191 Intermediate Similarity NPD7229 Phase 3
0.7188 Intermediate Similarity NPD3027 Phase 3
0.7179 Intermediate Similarity NPD9269 Phase 2
0.7172 Intermediate Similarity NPD7783 Phase 2
0.7172 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD4287 Approved
0.7165 Intermediate Similarity NPD7435 Discontinued
0.716 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD1613 Approved
0.7157 Intermediate Similarity NPD8151 Discontinued
0.7151 Intermediate Similarity NPD8150 Discontinued
0.7143 Intermediate Similarity NPD9268 Approved
0.7143 Intermediate Similarity NPD4288 Approved
0.7143 Intermediate Similarity NPD5353 Approved
0.7143 Intermediate Similarity NPD3764 Approved
0.7143 Intermediate Similarity NPD411 Approved
0.7108 Intermediate Similarity NPD1471 Phase 3
0.7098 Intermediate Similarity NPD6776 Approved
0.7098 Intermediate Similarity NPD6779 Approved
0.7098 Intermediate Similarity NPD6782 Approved
0.7098 Intermediate Similarity NPD6781 Approved
0.7098 Intermediate Similarity NPD6780 Approved
0.7098 Intermediate Similarity NPD6777 Approved
0.7098 Intermediate Similarity NPD6778 Approved
0.7097 Intermediate Similarity NPD17 Approved
0.7091 Intermediate Similarity NPD4308 Phase 3
0.7089 Intermediate Similarity NPD3225 Approved
0.7069 Intermediate Similarity NPD6386 Approved
0.7069 Intermediate Similarity NPD6385 Approved
0.7065 Intermediate Similarity NPD7685 Pre-registration
0.7065 Intermediate Similarity NPD7240 Approved
0.7055 Intermediate Similarity NPD4060 Phase 1
0.7048 Intermediate Similarity NPD5404 Approved
0.7048 Intermediate Similarity NPD5405 Approved
0.7048 Intermediate Similarity NPD5406 Approved
0.7048 Intermediate Similarity NPD5408 Approved
0.7039 Intermediate Similarity NPD8127 Discontinued
0.7037 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1296 Phase 2
0.7027 Intermediate Similarity NPD7549 Discontinued
0.7027 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2798 Approved
0.699 Remote Similarity NPD7698 Approved
0.699 Remote Similarity NPD7697 Approved
0.699 Remote Similarity NPD7696 Phase 3
0.6988 Remote Similarity NPD7033 Discontinued
0.6975 Remote Similarity NPD4625 Phase 3
0.6962 Remote Similarity NPD1481 Phase 2
0.6957 Remote Similarity NPD9494 Approved
0.6954 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7870 Phase 2
0.6954 Remote Similarity NPD7871 Phase 2
0.695 Remote Similarity NPD7874 Approved
0.695 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6946 Remote Similarity NPD4477 Approved
0.6946 Remote Similarity NPD4476 Approved
0.6943 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1470 Approved
0.6918 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6914 Remote Similarity NPD4908 Phase 1
0.6909 Remote Similarity NPD6355 Discontinued
0.6899 Remote Similarity NPD1535 Discovery
0.6899 Remote Similarity NPD1201 Approved
0.6897 Remote Similarity NPD2370 Clinical (unspecified phase)
0.689 Remote Similarity NPD6233 Phase 2
0.6882 Remote Similarity NPD4110 Phase 3
0.6882 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6879 Remote Similarity NPD6273 Approved

Structure

External Identifiers

PubChem CID   65751
ChEMBL   CHEMBL171637
ZINC  

Physicochemical Properties

Molecular Weight:  470.19
ALogP:  -3.1628
MLogP:  3.44
XLogP:  5.914
# Rotatable Bonds:  16
Polar Surface Area:  130.36
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  34

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