Natural Product: NPC62840

Natural Product ID:  NPC62840
Common Name:   Morusin
IUPAC Name:   2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Synonyms:   TCMDC-124149
Molecular Formula:   C25H24O6
Standard InCHIKey:  XFFOMNJIDRDDLQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
Canonical SMILES:  CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)c1ccc(cc1O)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
NPO33150 Artocarpus communis Species Moraceae Eukaryota Roots Khon Kaen, Thailand 2009-DEC PMID[25537111]
NPO31552 Lonicera morrowii Species Caprifoliaceae Eukaryota HerDing*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota HerDing*
NPO9402 Morus mongolica Species Moraceae Eukaryota TCM_Taiwan*
NPO9402 Morus mongolica Species Moraceae Eukaryota HerDing*
NPO29694 Mori cortex NA NA NA TCMSP*
NPO9002 Herba patriniae NA NA NA TCMSP*
NPO15835 Glycyrrhiza Species Fabaceae Eukaryota TCMSP*
NPO20455 Hydnocarpi anthelminticae semen NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO28265 Morus alba Species Moraceae Eukaryota TM-MC*
NPO9402 Morus mongolica Species Moraceae Eukaryota TCMID*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMID*
NPO14802.1 Lonicera tatarica var. morrowii Varieties Caprifoliaceae Eukaryota TCMID*
NPO28265 Morus alba Species Moraceae Eukaryota TCMID*
NPO17949 Gentiana thunbergii Species Gentianaceae Eukaryota TCMID*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota TCMID*
NPO26579 Artocarpus fretessi Species Moraceae Eukaryota TCMID*
NPO11688 Adoxa moschatellina Species Adoxaceae Eukaryota TCMID*
NPO11796 Morus australis Species Moraceae Eukaryota PMID[9358644]
NPO5495 Broussonetia papyrifera Species Moraceae Eukaryota PMID[9358644]
NPO8352 Canthium berberidifolium Species Rubiaceae Eukaryota UNPD*
NPO10498 Artocarpus dadah Species Moraceae Eukaryota UNPD*
NPO11740 Sagenomella striatispora Species Trichocomaceae Eukaryota UNPD*
NPO11688 Adoxa moschatellina Species Adoxaceae Eukaryota HerDing*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota HerDing*
NPO17949 Gentiana thunbergii Species Gentianaceae Eukaryota HerDing*
NPO26579 Artocarpus fretessi Species Moraceae Eukaryota HerDing*
NPO28265 Morus alba Species Moraceae Eukaryota TCM_Taiwan*
NPO28265 Morus alba Species Moraceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 100000 nM 16038536
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 100000 nM 16038536
NPT2 Others Unspecified Activity = 81.8 % 9358644
NPT2 Others Unspecified Activity = 0 % 9358644
NPT2 Others Unspecified Activity = 74.2 % 9358644
NPT2 Others Unspecified Activity = 82.8 % 9358644
NPT2 Others Unspecified Activity = 5.3 % 9358644
NPT2 Others Unspecified Activity = 62.5 % 9358644
NPT2 Others Unspecified Activity = 81.3 % 9358644
NPT65 Cell Line HepG2 Homo sapiens Inhibition = 1 % 20485427
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition = 8 % 20485427
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition = 89 % 20485427
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition = 5 % 20485427
NPT174 Organism Streptococcus Streptococcus EC50 = 2965 nM PubChem BioAssay data set
NPT1252 Organism Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 = 2715 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 = 1234 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 = 1149 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 18356.4 nM PubChem BioAssay data set
NPT740 Individual Protein Beta-secretase 1 Homo sapiens Ki = 64100 nM 21511472
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 = 59400 nM 21511472
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 100000 nM 21319773
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 100000 nM 21319773
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens IC50 = 100000 nM 21319773
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens IC50 = 100000 nM 21319773
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 26679.5 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 = 1700 nM 10.1007/s00044-012-0353-y
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Ki = 3100 nM 10.1007/s00044-012-0353-y
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT920 Individual Protein Alpha-synuclein Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT446 Individual Protein Rap guanine nucleotide exchange factor 3 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT196 Cell Line AGS Homo sapiens Activity = 25 % 25537111
NPT942 Individual Protein Glucose transporter Homo sapiens Inhibition = 5.72 % 10.6019/CHEMBL3433997
NPT943 Individual Protein Hexose transporter 1 Plasmodium falciparum Inhibition = 4.6 % 10.6019/CHEMBL3433997
NPT944 Individual Protein Glucose transporter Leishmania mexicana Inhibition = 6.57 % 10.6019/CHEMBL3433997
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 24000 nM 26829656
NPT1125 Cell Line T98G Homo sapiens IC50 = 24000 nM 26829656
NPT2 Others Unspecified Activity = 29 % 26829656
NPT2 Others Unspecified Activity = 10 % 26829656

  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 NPC62840 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 NPC299080
1.0 High Similarity NPC59739
1.0 High Similarity NPC293852
1.0 High Similarity NPC214236
1.0 High Similarity NPC217083
1.0 High Similarity NPC78803
0.9783 High Similarity NPC38219
0.9783 High Similarity NPC219915
0.9781 High Similarity NPC156590
0.9781 High Similarity NPC205006
0.9781 High Similarity NPC118840
0.9781 High Similarity NPC64908
0.9781 High Similarity NPC147688
0.9779 High Similarity NPC220062
0.9779 High Similarity NPC96565
0.9779 High Similarity NPC301217
0.9779 High Similarity NPC303633
0.9779 High Similarity NPC216978
0.9779 High Similarity NPC55018
0.9714 High Similarity NPC166757
0.9714 High Similarity NPC97716
0.9714 High Similarity NPC237635
0.9714 High Similarity NPC104406
0.9714 High Similarity NPC201731
0.9714 High Similarity NPC14001
0.9714 High Similarity NPC24673
0.9714 High Similarity NPC79469
0.9712 High Similarity NPC319752
0.971 High Similarity NPC11561
0.971 High Similarity NPC226636
0.9708 High Similarity NPC172986
0.9708 High Similarity NPC159275
0.9708 High Similarity NPC241100
0.9708 High Similarity NPC270883
0.9708 High Similarity NPC305355
0.9708 High Similarity NPC261227
0.9708 High Similarity NPC475680
0.9708 High Similarity NPC150522
0.9708 High Similarity NPC235239
0.9706 High Similarity NPC201395
0.9645 High Similarity NPC244407
0.9645 High Similarity NPC266572
0.9645 High Similarity NPC189087
0.9645 High Similarity NPC321623
0.9645 High Similarity NPC161191
0.9645 High Similarity NPC6511
0.9643 High Similarity NPC20488
0.9643 High Similarity NPC176229
0.9643 High Similarity NPC111786
0.9643 High Similarity NPC474161
0.9643 High Similarity NPC312973
0.9643 High Similarity NPC220418
0.9643 High Similarity NPC470647
0.9643 High Similarity NPC301276
0.9643 High Similarity NPC246948
0.9643 High Similarity NPC54577
0.9643 High Similarity NPC475052
0.9643 High Similarity NPC88964
0.9643 High Similarity NPC476088
0.9643 High Similarity NPC57470
0.9643 High Similarity NPC267375
0.9643 High Similarity NPC195621
0.9643 High Similarity NPC142405
0.9643 High Similarity NPC67805
0.9643 High Similarity NPC83357
0.9643 High Similarity NPC214774
0.9638 High Similarity NPC110969
0.9638 High Similarity NPC14871
0.9638 High Similarity NPC103362
0.9638 High Similarity NPC282300
0.9635 High Similarity NPC18260
0.9635 High Similarity NPC78913
0.9635 High Similarity NPC217186
0.9635 High Similarity NPC53181
0.9577 High Similarity NPC5173
0.9574 High Similarity NPC296998
0.9574 High Similarity NPC180477
0.9574 High Similarity NPC473077
0.9574 High Similarity NPC297886
0.9574 High Similarity NPC23728
0.9574 High Similarity NPC283234
0.9574 High Similarity NPC110303
0.9574 High Similarity NPC249942
0.9571 High Similarity NPC257236
0.9571 High Similarity NPC278175
0.9571 High Similarity NPC234629
0.9571 High Similarity NPC311741
0.9568 High Similarity NPC200694
0.9568 High Similarity NPC144499
0.9565 High Similarity NPC69769
0.9562 High Similarity NPC470668
0.9562 High Similarity NPC470669
0.9562 High Similarity NPC17848
0.9559 High Similarity NPC13408
0.951 High Similarity NPC471984
0.951 High Similarity NPC188403
0.9507 High Similarity NPC132592
0.9507 High Similarity NPC296869
0.9507 High Similarity NPC161864
0.9507 High Similarity NPC469933
0.9507 High Similarity NPC208303
0.9507 High Similarity NPC160821
0.9504 High Similarity NPC124729
0.9504 High Similarity NPC329678
0.95 High Similarity NPC190637
0.95 High Similarity NPC478086
0.95 High Similarity NPC212932
0.95 High Similarity NPC18585
0.95 High Similarity NPC166138
0.95 High Similarity NPC106985
0.95 High Similarity NPC9117
0.95 High Similarity NPC293053
0.95 High Similarity NPC11700
0.95 High Similarity NPC24821
0.95 High Similarity NPC316816
0.95 High Similarity NPC214166
0.9493 High Similarity NPC23257
0.9489 High Similarity NPC157855
0.9441 High Similarity NPC469932
0.9437 High Similarity NPC140120
0.9433 High Similarity NPC131568
0.9433 High Similarity NPC326500
0.9433 High Similarity NPC209040
0.9433 High Similarity NPC216538
0.9433 High Similarity NPC469953
0.9433 High Similarity NPC131579
0.9433 High Similarity NPC273538
0.9429 High Similarity NPC148757
0.9429 High Similarity NPC76372
0.9429 High Similarity NPC32739
0.9429 High Similarity NPC66515
0.9429 High Similarity NPC473042
0.9429 High Similarity NPC166482
0.9429 High Similarity NPC107572
0.9429 High Similarity NPC324134
0.9429 High Similarity NPC161506
0.9429 High Similarity NPC36181
0.9429 High Similarity NPC324436
0.9429 High Similarity NPC194432
0.9429 High Similarity NPC167624
0.9429 High Similarity NPC37496
0.9429 High Similarity NPC166934
0.9429 High Similarity NPC220998
0.9429 High Similarity NPC76338
0.9429 High Similarity NPC227579
0.9429 High Similarity NPC228504
0.9429 High Similarity NPC78
0.9429 High Similarity NPC10937
0.9429 High Similarity NPC223500
0.9429 High Similarity NPC328164
0.9429 High Similarity NPC177354
0.9429 High Similarity NPC64915
0.9429 High Similarity NPC265040
0.9429 High Similarity NPC40833
0.9429 High Similarity NPC125855
0.9429 High Similarity NPC182852
0.9429 High Similarity NPC296917
0.9429 High Similarity NPC1089
0.9429 High Similarity NPC306829
0.9424 High Similarity NPC471587
0.942 High Similarity NPC248995
0.942 High Similarity NPC272844
0.942 High Similarity NPC131130
0.942 High Similarity NPC254168
0.9416 High Similarity NPC29353
0.9416 High Similarity NPC124784
0.9416 High Similarity NPC127447
0.9416 High Similarity NPC161196
0.9416 High Similarity NPC231772
0.9416 High Similarity NPC473887
0.9416 High Similarity NPC194281
0.9416 High Similarity NPC234133
0.9416 High Similarity NPC174999
0.9416 High Similarity NPC47815
0.9379 High Similarity NPC45934
0.9375 High Similarity NPC471115
0.9375 High Similarity NPC472633
0.9375 High Similarity NPC29777
0.9375 High Similarity NPC151973
0.9366 High Similarity NPC5820
0.9366 High Similarity NPC285630
0.9366 High Similarity NPC154217
0.9366 High Similarity NPC127059
0.9366 High Similarity NPC470131
0.9366 High Similarity NPC470134
0.9366 High Similarity NPC178343
0.9366 High Similarity NPC477955
0.9366 High Similarity NPC473078
0.9366 High Similarity NPC470133
0.9366 High Similarity NPC109183
0.9366 High Similarity NPC470132
0.9366 High Similarity NPC306488
0.9362 High Similarity NPC81697
0.9362 High Similarity NPC188632
0.9362 High Similarity NPC185276
0.9362 High Similarity NPC91560
0.9362 High Similarity NPC149026
0.9362 High Similarity NPC75049
0.9362 High Similarity NPC107177
0.9362 High Similarity NPC143896

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC62840 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
0.9571 High Similarity NPD7410 Clinical (unspecified phase)
0.9433 High Similarity NPD4378 Clinical (unspecified phase)
0.9071 High Similarity NPD1550 Clinical (unspecified phase)
0.9071 High Similarity NPD1552 Clinical (unspecified phase)
0.9007 High Similarity NPD1549 Phase 2
0.8929 High Similarity NPD1510 Phase 2
0.8919 High Similarity NPD7411 Suspended
0.8913 High Similarity NPD1240 Approved
0.8867 High Similarity NPD8443 Clinical (unspecified phase)
0.8865 High Similarity NPD2796 Approved
0.8851 High Similarity NPD4380 Phase 2
0.88 High Similarity NPD2393 Clinical (unspecified phase)
0.8786 High Similarity NPD1607 Approved
0.8699 High Similarity NPD1511 Approved
0.8627 High Similarity NPD7075 Discontinued
0.8621 High Similarity NPD3750 Approved
0.8609 High Similarity NPD6801 Discontinued
0.8581 High Similarity NPD1512 Approved
0.8553 High Similarity NPD7819 Suspended
0.8553 High Similarity NPD7096 Clinical (unspecified phase)
0.8553 High Similarity NPD2801 Approved
0.8506 High Similarity NPD4381 Clinical (unspecified phase)
0.8487 Intermediate Similarity NPD1934 Approved
0.8446 Intermediate Similarity NPD6799 Approved
0.8442 Intermediate Similarity NPD7768 Phase 2
0.8425 Intermediate Similarity NPD2800 Approved
0.8425 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8418 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8387 Intermediate Similarity NPD3749 Approved
0.8375 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD6959 Discontinued
0.8299 Intermediate Similarity NPD1243 Approved
0.8278 Intermediate Similarity NPD5403 Approved
0.8276 Intermediate Similarity NPD3748 Approved
0.8264 Intermediate Similarity NPD6651 Approved
0.8239 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD6599 Discontinued
0.8231 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD3882 Suspended
0.8187 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD6166 Phase 2
0.8151 Intermediate Similarity NPD2799 Discontinued
0.8146 Intermediate Similarity NPD5401 Approved
0.8141 Intermediate Similarity NPD3817 Phase 2
0.8112 Intermediate Similarity NPD2313 Discontinued
0.8095 Intermediate Similarity NPD2935 Discontinued
0.8095 Intermediate Similarity NPD1551 Phase 2
0.8061 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD5494 Approved
0.8041 Intermediate Similarity NPD2344 Approved
0.8039 Intermediate Similarity NPD920 Approved
0.8037 Intermediate Similarity NPD7054 Approved
0.8014 Intermediate Similarity NPD1203 Approved
0.8013 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD7472 Approved
0.7988 Intermediate Similarity NPD7074 Phase 3
0.7986 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD3268 Approved
0.7975 Intermediate Similarity NPD3818 Discontinued
0.7973 Intermediate Similarity NPD6099 Approved
0.7973 Intermediate Similarity NPD6100 Approved
0.795 Intermediate Similarity NPD6232 Discontinued
0.7945 Intermediate Similarity NPD5124 Phase 1
0.7945 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD3225 Approved
0.7939 Intermediate Similarity NPD5953 Discontinued
0.7939 Intermediate Similarity NPD6797 Phase 2
0.7927 Intermediate Similarity NPD7286 Phase 2
0.7914 Intermediate Similarity NPD7473 Discontinued
0.7911 Intermediate Similarity NPD5402 Approved
0.7908 Intermediate Similarity NPD2532 Approved
0.7908 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7908 Intermediate Similarity NPD2534 Approved
0.7908 Intermediate Similarity NPD2533 Approved
0.7905 Intermediate Similarity NPD7033 Discontinued
0.7905 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD7251 Discontinued
0.7887 Intermediate Similarity NPD2797 Approved
0.7881 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD422 Phase 1
0.7847 Intermediate Similarity NPD4908 Phase 1
0.7844 Intermediate Similarity NPD7808 Phase 3
0.7843 Intermediate Similarity NPD7390 Discontinued
0.7832 Intermediate Similarity NPD2798 Approved
0.7829 Intermediate Similarity NPD2309 Approved
0.7826 Intermediate Similarity NPD1548 Phase 1
0.7821 Intermediate Similarity NPD3226 Approved
0.7801 Intermediate Similarity NPD9717 Approved
0.7785 Intermediate Similarity NPD4308 Phase 3
0.7784 Intermediate Similarity NPD6559 Discontinued
0.7763 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD943 Approved
0.7738 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD6832 Phase 2
0.7711 Intermediate Similarity NPD5844 Phase 1
0.7701 Intermediate Similarity NPD4363 Phase 3
0.7701 Intermediate Similarity NPD4360 Phase 2
0.7682 Intermediate Similarity NPD2346 Discontinued
0.7671 Intermediate Similarity NPD4625 Phase 3
0.7654 Intermediate Similarity NPD919 Approved
0.7647 Intermediate Similarity NPD4628 Phase 3
0.7639 Intermediate Similarity NPD3267 Approved
0.7639 Intermediate Similarity NPD3266 Approved
0.7614 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD1610 Phase 2
0.7582 Intermediate Similarity NPD2654 Approved
0.7578 Intermediate Similarity NPD4288 Approved
0.7561 Intermediate Similarity NPD1247 Approved
0.7557 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD4361 Phase 2
0.7547 Intermediate Similarity NPD6585 Discontinued
0.7517 Intermediate Similarity NPD4307 Phase 2
0.7516 Intermediate Similarity NPD1465 Phase 2
0.75 Intermediate Similarity NPD1296 Phase 2
0.75 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD3926 Phase 2
0.7456 Intermediate Similarity NPD1729 Discontinued
0.7431 Intermediate Similarity NPD1608 Approved
0.7431 Intermediate Similarity NPD3972 Approved
0.7412 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5890 Approved
0.7391 Intermediate Similarity NPD5889 Approved
0.7386 Intermediate Similarity NPD5406 Approved
0.7386 Intermediate Similarity NPD5405 Approved
0.7386 Intermediate Similarity NPD5404 Approved
0.7386 Intermediate Similarity NPD5408 Approved
0.7383 Intermediate Similarity NPD3764 Approved
0.7379 Intermediate Similarity NPD4749 Approved
0.7375 Intermediate Similarity NPD7458 Discontinued
0.7371 Intermediate Similarity NPD4287 Approved
0.7365 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD1201 Approved
0.7358 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD1933 Approved
0.7342 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7584 Approved
0.7337 Intermediate Similarity NPD5940 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD9545 Approved
0.7321 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD7003 Approved
0.7305 Intermediate Similarity NPD5710 Approved
0.7305 Intermediate Similarity NPD9493 Approved
0.7305 Intermediate Similarity NPD5711 Approved
0.7297 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD5049 Phase 3
0.7288 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD1470 Approved
0.7279 Intermediate Similarity NPD1164 Approved
0.7267 Intermediate Similarity NPD411 Approved
0.7267 Intermediate Similarity NPD6798 Discontinued
0.7267 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD2354 Approved
0.7256 Intermediate Similarity NPD2296 Approved
0.7237 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD447 Suspended
0.7226 Intermediate Similarity NPD1471 Phase 3
0.7222 Intermediate Similarity NPD17 Approved
0.7214 Intermediate Similarity NPD1241 Discontinued
0.7202 Intermediate Similarity NPD7229 Phase 3
0.7198 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD1481 Phase 2
0.7171 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD1613 Approved
0.717 Intermediate Similarity NPD7212 Phase 2
0.717 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7213 Phase 3
0.7168 Intermediate Similarity NPD6104 Discontinued
0.7153 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD3751 Discontinued
0.7134 Intermediate Similarity NPD7577 Discontinued
0.7134 Intermediate Similarity NPD6844 Discontinued
0.7133 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD7447 Phase 1
0.7124 Intermediate Similarity NPD230 Phase 1
0.7123 Intermediate Similarity NPD1535 Discovery
0.7118 Intermediate Similarity NPD2403 Approved
0.7115 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD2353 Approved
0.7115 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD1019 Discontinued
0.7101 Intermediate Similarity NPD3787 Discontinued
0.7097 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD8312 Approved
0.7086 Intermediate Similarity NPD8313 Approved
0.707 Intermediate Similarity NPD2424 Discontinued
0.7051 Intermediate Similarity NPD4476 Approved
0.7051 Intermediate Similarity NPD4477 Approved
0.7044 Intermediate Similarity NPD3887 Approved
0.7044 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7199 Phase 2
0.7035 Intermediate Similarity NPD7177 Discontinued
0.7035 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1652 Phase 2
0.7021 Intermediate Similarity NPD5535 Approved
0.7019 Intermediate Similarity NPD4662 Approved
0.7019 Intermediate Similarity NPD4661 Approved

Structure

External Identifiers

PubChem CID   5281671
ChEMBL   CHEMBL464006
ZINC  

Physicochemical Properties

Molecular Weight:  420.16
ALogP:  0.8118
MLogP:  3.55
XLogP:  3.627
# Rotatable Bonds:  10
Polar Surface Area:  96.22
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  31

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Biological Activities  
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