Natural Product: NPC204985

Natural Product ID:  NPC204985
Common Name:   5,7-Dihydroxy-3-(4-Hydroxyphenyl)-6,8-Bis(3-Methylbut-2-Enyl)Chromen-4-One
IUPAC Name:   5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Synonyms:  
Molecular Formula:   C25H26O5
Standard InCHIKey:  UCHYSPNEUSDFQR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
Canonical SMILES:  CC(=CCc1c(O)c(CC=C(C)C)c2c(c1O)c(=O)c(co2)c1ccc(cc1)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
NPO29056 Dactynotus ambrosiae NA NA NA UNPD*
NPO5436 Absidia caerulea Species Cunninghamellaceae Eukaryota UNPD*
NPO7786 Lentinus tigrinus Species Lentinaceae Eukaryota UNPD*
NPO28764 Phyllidia ocellata Species Phyllidiidae Eukaryota UNPD*
NPO28640 Alsidium corallinum Species Rhodomelaceae Eukaryota UNPD*
NPO28587 Axinella weltneri Species Axinellidae Eukaryota UNPD*
NPO29181 Galdieria sulphuraria Species Cyanidiaceae Eukaryota UNPD*
NPO28436 Helenium virginicum Species Asteraceae Eukaryota UNPD*
NPO29113 Erythrina vogelii Species Fabaceae Eukaryota UNPD*
NPO28553 Nannoglottis ravida Species Asteraceae Eukaryota UNPD*
NPO25617 Lactococcus lactis Species Streptococcaceae Bacteria UNPD*
NPO10026 Mitracarpus scaber Species Rubiaceae Eukaryota UNPD*
NPO28517 Hypericum caprifoliatum Species Hypericaceae Eukaryota UNPD*
NPO28399 Anthotroche myoporoides Species Solanaceae Eukaryota UNPD*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota UNPD*
NPO15835 Glycyrrhiza Species Fabaceae Eukaryota TCMSP*
NPO11240 Cortex erythrinae NA NA NA TCMSP*
NPO29384 Glycyrrhiza glabra Species Fabaceae Eukaryota TM-MC*
NPO1698 Glycyrrhiza inflata Species Fabaceae Eukaryota TM-MC*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota TM-MC*
NPO30804 Cudrania tricuspidata Species Moraceae Eukaryota fruits PMID[19113968]
NPO22654 Millettia pachycarpa Species Fabaceae Eukaryota TCMID*
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota Roots PMID[24054487]
NPO29113 Erythrina vogelii Species Fabaceae Eukaryota TCMID*
NPO12908 Euchresta japonica Species Fabaceae Eukaryota HerDing*
NPO12908 Euchresta japonica Species Fabaceae Eukaryota TCMID*
NPO22654 Millettia pachycarpa Species Fabaceae Eukaryota TCM_Taiwan*
NPO27553 Derris scandens Species Fabaceae Eukaryota TCMID*
NPO22654 Millettia pachycarpa Species Fabaceae Eukaryota HerDing*
NPO27553 Derris scandens Species Fabaceae Eukaryota HerDing*
NPO27553 Derris scandens Species Fabaceae Eukaryota Stems DOI[10.1016/S0031-9422(99)00103-X]
NPO29113 Erythrina vogelii Species Fabaceae Eukaryota HerDing*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota TCM_Taiwan*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota Root PMID[16441081]
NPO28535 Astragalus flexus Species Fabaceae Eukaryota UNPD*
NPO28944 Heliotropium digynum Species Heliotropiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT878 Organism Streptococcus mutans Streptococcus mutans Activity = 2 ug/ml 16441081
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 19200 nM 19113968
NPT174 Organism Streptococcus Streptococcus EC50 = 3281 nM PubChem BioAssay data set
NPT1252 Organism Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 = 2660 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 35481.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 23109.3 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 19952.6 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 = 1863 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 398.1 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 = 2616 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 32642.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 29081 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 = 3494 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2936.2 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 37933 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 9200 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29092.9 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 11220.2 nM PubChem BioAssay data set
NPT159 Individual Protein Aberrant vpr protein Human immunodeficiency virus 1 Potency 63095.7 nM PubChem BioAssay data set
NPT1043 Individual Protein Glycoprotein hormones alpha chain Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT344 Individual Protein Sialidase Clostridium perfringens Ki = 4290 nM 24054487
NPT344 Individual Protein Sialidase Clostridium perfringens IC50 = 4040 nM 24054487
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT1120 Individual Protein Pancreatic triacylglycerol lipase Sus scrofa IC50 = 65000 nM 24751440
NPT1120 Individual Protein Pancreatic triacylglycerol lipase Sus scrofa Inhibition = 72.2 % 24751440
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 9300 nM 26704263
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Ki = 9600 nM 26704263
NPT742 Organism Influenza A virus Influenza A virus Activity > 30 % 26841168
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition > 95 % 26841168

  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 NPC204985 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 NPC80962
1.0 High Similarity NPC219917
1.0 High Similarity NPC172250
1.0 High Similarity NPC259166
1.0 High Similarity NPC215311
1.0 High Similarity NPC326109
1.0 High Similarity NPC213659
1.0 High Similarity NPC144118
1.0 High Similarity NPC48624
0.9926 High Similarity NPC52789
0.9926 High Similarity NPC26051
0.9926 High Similarity NPC55832
0.9926 High Similarity NPC469404
0.9926 High Similarity NPC268204
0.9925 High Similarity NPC295384
0.9925 High Similarity NPC283429
0.9852 High Similarity NPC101366
0.9852 High Similarity NPC253822
0.9781 High Similarity NPC117836
0.9781 High Similarity NPC475705
0.9781 High Similarity NPC476178
0.9781 High Similarity NPC51887
0.9776 High Similarity NPC181124
0.9776 High Similarity NPC209560
0.9776 High Similarity NPC162680
0.9776 High Similarity NPC7013
0.9776 High Similarity NPC303644
0.9776 High Similarity NPC294409
0.9776 High Similarity NPC116632
0.971 High Similarity NPC476055
0.9704 High Similarity NPC12175
0.9704 High Similarity NPC21350
0.9704 High Similarity NPC278323
0.9704 High Similarity NPC55162
0.9704 High Similarity NPC309154
0.9704 High Similarity NPC279668
0.9704 High Similarity NPC90665
0.9701 High Similarity NPC66349
0.9701 High Similarity NPC168105
0.9701 High Similarity NPC186838
0.9701 High Similarity NPC98115
0.9701 High Similarity NPC249606
0.9701 High Similarity NPC150399
0.9701 High Similarity NPC12165
0.9701 High Similarity NPC477243
0.9701 High Similarity NPC274109
0.9701 High Similarity NPC41461
0.9701 High Similarity NPC1486
0.9701 High Similarity NPC25287
0.9701 High Similarity NPC477244
0.9701 High Similarity NPC477242
0.9635 High Similarity NPC110969
0.9635 High Similarity NPC470087
0.9635 High Similarity NPC321980
0.9635 High Similarity NPC470089
0.9632 High Similarity NPC477956
0.9632 High Similarity NPC470211
0.963 High Similarity NPC472419
0.963 High Similarity NPC153979
0.963 High Similarity NPC317119
0.9627 High Similarity NPC39426
0.9627 High Similarity NPC13575
0.9627 High Similarity NPC234560
0.9627 High Similarity NPC156092
0.9627 High Similarity NPC131039
0.9571 High Similarity NPC237635
0.9571 High Similarity NPC222298
0.9571 High Similarity NPC79469
0.9571 High Similarity NPC104406
0.9571 High Similarity NPC51070
0.9571 High Similarity NPC24673
0.9571 High Similarity NPC201731
0.9571 High Similarity NPC97716
0.9568 High Similarity NPC234629
0.9568 High Similarity NPC311741
0.9565 High Similarity NPC226636
0.9565 High Similarity NPC11561
0.9562 High Similarity NPC11056
0.9562 High Similarity NPC261227
0.9562 High Similarity NPC241100
0.9562 High Similarity NPC270883
0.9562 High Similarity NPC159275
0.9562 High Similarity NPC172986
0.9559 High Similarity NPC471620
0.9559 High Similarity NPC251681
0.9559 High Similarity NPC243528
0.9556 High Similarity NPC235428
0.9556 High Similarity NPC87545
0.9552 High Similarity NPC103842
0.9552 High Similarity NPC286336
0.9504 High Similarity NPC266572
0.9504 High Similarity NPC168085
0.9504 High Similarity NPC6511
0.9496 High Similarity NPC257097
0.9496 High Similarity NPC143896
0.9496 High Similarity NPC18585
0.9496 High Similarity NPC175504
0.9496 High Similarity NPC166138
0.9496 High Similarity NPC221432
0.9496 High Similarity NPC169591
0.9496 High Similarity NPC68104
0.9496 High Similarity NPC301751
0.9496 High Similarity NPC150408
0.9496 High Similarity NPC106985
0.9496 High Similarity NPC164980
0.9496 High Similarity NPC149026
0.9496 High Similarity NPC75049
0.9496 High Similarity NPC245482
0.9496 High Similarity NPC39329
0.9496 High Similarity NPC310130
0.9496 High Similarity NPC91560
0.9493 High Similarity NPC205006
0.9493 High Similarity NPC103362
0.9493 High Similarity NPC156590
0.9493 High Similarity NPC3188
0.9493 High Similarity NPC64908
0.9493 High Similarity NPC147688
0.9493 High Similarity NPC118840
0.9493 High Similarity NPC282300
0.9489 High Similarity NPC216978
0.9489 High Similarity NPC472366
0.9489 High Similarity NPC301217
0.9489 High Similarity NPC303633
0.9489 High Similarity NPC53181
0.9489 High Similarity NPC217186
0.9489 High Similarity NPC55018
0.9489 High Similarity NPC18260
0.9489 High Similarity NPC96565
0.9489 High Similarity NPC220062
0.9489 High Similarity NPC78913
0.9485 High Similarity NPC212767
0.9478 High Similarity NPC472365
0.9478 High Similarity NPC139813
0.9478 High Similarity NPC188646
0.9478 High Similarity NPC242294
0.9478 High Similarity NPC192304
0.9478 High Similarity NPC20560
0.9478 High Similarity NPC144051
0.9478 High Similarity NPC27643
0.9478 High Similarity NPC294593
0.9478 High Similarity NPC159623
0.9478 High Similarity NPC337373
0.9478 High Similarity NPC28753
0.9478 High Similarity NPC312318
0.9478 High Similarity NPC175098
0.9478 High Similarity NPC82225
0.9478 High Similarity NPC263670
0.9478 High Similarity NPC56031
0.9478 High Similarity NPC223354
0.9478 High Similarity NPC18877
0.9478 High Similarity NPC204960
0.9437 High Similarity NPC171916
0.9437 High Similarity NPC38545
0.9437 High Similarity NPC317492
0.9433 High Similarity NPC296998
0.9433 High Similarity NPC473077
0.9433 High Similarity NPC110303
0.9433 High Similarity NPC23728
0.9429 High Similarity NPC273538
0.9429 High Similarity NPC319752
0.9429 High Similarity NPC473015
0.9429 High Similarity NPC197252
0.9429 High Similarity NPC236766
0.9429 High Similarity NPC473013
0.9429 High Similarity NPC271288
0.9429 High Similarity NPC209040
0.9429 High Similarity NPC216538
0.9429 High Similarity NPC224714
0.9424 High Similarity NPC297600
0.9424 High Similarity NPC148757
0.9424 High Similarity NPC76372
0.9424 High Similarity NPC32739
0.9424 High Similarity NPC66515
0.9424 High Similarity NPC107572
0.9424 High Similarity NPC324134
0.9424 High Similarity NPC161506
0.9424 High Similarity NPC324436
0.9424 High Similarity NPC194432
0.9424 High Similarity NPC220998
0.9424 High Similarity NPC167624
0.9424 High Similarity NPC37496
0.9424 High Similarity NPC166934
0.9424 High Similarity NPC76338
0.9424 High Similarity NPC1089
0.9424 High Similarity NPC64915
0.9424 High Similarity NPC227579
0.9424 High Similarity NPC228504
0.9424 High Similarity NPC78
0.9424 High Similarity NPC166482
0.9424 High Similarity NPC223500
0.9424 High Similarity NPC328164
0.9424 High Similarity NPC177354
0.9424 High Similarity NPC10937
0.9424 High Similarity NPC265040
0.9424 High Similarity NPC40833
0.9424 High Similarity NPC125855
0.9424 High Similarity NPC182852
0.9424 High Similarity NPC296917
0.9424 High Similarity NPC144499
0.9424 High Similarity NPC306829

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC204985 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
0.9627 High Similarity NPD1510 Phase 2
0.9429 High Similarity NPD4378 Clinical (unspecified phase)
0.9328 High Similarity NPD1240 Approved
0.9236 High Similarity NPD4380 Phase 2
0.9191 High Similarity NPD1607 Approved
0.9155 High Similarity NPD7410 Clinical (unspecified phase)
0.9137 High Similarity NPD1549 Phase 2
0.913 High Similarity NPD2796 Approved
0.9065 High Similarity NPD1550 Clinical (unspecified phase)
0.9065 High Similarity NPD1552 Clinical (unspecified phase)
0.8919 High Similarity NPD2393 Clinical (unspecified phase)
0.8912 High Similarity NPD7411 Suspended
0.8867 High Similarity NPD7075 Discontinued
0.8859 High Similarity NPD8443 Clinical (unspecified phase)
0.8792 High Similarity NPD7096 Clinical (unspecified phase)
0.8792 High Similarity NPD7819 Suspended
0.8725 High Similarity NPD6801 Discontinued
0.8618 High Similarity NPD4381 Clinical (unspecified phase)
0.86 High Similarity NPD1934 Approved
0.8592 High Similarity NPD2935 Discontinued
0.8562 High Similarity NPD6799 Approved
0.8562 High Similarity NPD1511 Approved
0.8553 High Similarity NPD7768 Phase 2
0.8543 High Similarity NPD2801 Approved
0.8542 High Similarity NPD7421 Clinical (unspecified phase)
0.8526 High Similarity NPD7852 Clinical (unspecified phase)
0.8511 High Similarity NPD6651 Approved
0.8483 Intermediate Similarity NPD3750 Approved
0.8483 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8446 Intermediate Similarity NPD1512 Approved
0.8431 Intermediate Similarity NPD3882 Suspended
0.8365 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD6599 Discontinued
0.8333 Intermediate Similarity NPD1551 Phase 2
0.8333 Intermediate Similarity NPD6959 Discontinued
0.8288 Intermediate Similarity NPD1243 Approved
0.8288 Intermediate Similarity NPD2800 Approved
0.828 Intermediate Similarity NPD6232 Discontinued
0.8267 Intermediate Similarity NPD920 Approved
0.8264 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8255 Intermediate Similarity NPD2533 Approved
0.8255 Intermediate Similarity NPD2534 Approved
0.8255 Intermediate Similarity NPD2532 Approved
0.8247 Intermediate Similarity NPD3817 Phase 2
0.8243 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD7473 Discontinued
0.8227 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8201 Intermediate Similarity NPD2798 Approved
0.8187 Intermediate Similarity NPD3818 Discontinued
0.8176 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD6166 Phase 2
0.816 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD5494 Approved
0.8148 Intermediate Similarity NPD5953 Discontinued
0.8146 Intermediate Similarity NPD5403 Approved
0.8141 Intermediate Similarity NPD3749 Approved
0.8138 Intermediate Similarity NPD3748 Approved
0.8138 Intermediate Similarity NPD2799 Discontinued
0.8133 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.8112 Intermediate Similarity NPD943 Approved
0.8099 Intermediate Similarity NPD2313 Discontinued
0.8027 Intermediate Similarity NPD2344 Approved
0.8025 Intermediate Similarity NPD7286 Phase 2
0.8025 Intermediate Similarity NPD7054 Approved
0.8013 Intermediate Similarity NPD5401 Approved
0.7988 Intermediate Similarity NPD6559 Discontinued
0.7975 Intermediate Similarity NPD7472 Approved
0.7975 Intermediate Similarity NPD7074 Phase 3
0.7972 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7962 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD7390 Discontinued
0.7927 Intermediate Similarity NPD6797 Phase 2
0.7898 Intermediate Similarity NPD5402 Approved
0.7879 Intermediate Similarity NPD7251 Discontinued
0.7872 Intermediate Similarity NPD1203 Approved
0.7867 Intermediate Similarity NPD4628 Phase 3
0.7862 Intermediate Similarity NPD919 Approved
0.7842 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7832 Intermediate Similarity NPD6832 Phase 2
0.7832 Intermediate Similarity NPD4908 Phase 1
0.7831 Intermediate Similarity NPD7808 Phase 3
0.7815 Intermediate Similarity NPD2309 Approved
0.781 Intermediate Similarity NPD1548 Phase 1
0.7806 Intermediate Similarity NPD7458 Discontinued
0.7806 Intermediate Similarity NPD3226 Approved
0.7805 Intermediate Similarity NPD5844 Phase 1
0.78 Intermediate Similarity NPD2654 Approved
0.7792 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD3972 Approved
0.777 Intermediate Similarity NPD7033 Discontinued
0.7764 Intermediate Similarity NPD1247 Approved
0.7725 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD3268 Approved
0.7718 Intermediate Similarity NPD6099 Approved
0.7718 Intermediate Similarity NPD6100 Approved
0.7714 Intermediate Similarity NPD1610 Phase 2
0.7688 Intermediate Similarity NPD4363 Phase 3
0.7688 Intermediate Similarity NPD4360 Phase 2
0.7681 Intermediate Similarity NPD9545 Approved
0.7667 Intermediate Similarity NPD2346 Discontinued
0.7664 Intermediate Similarity NPD9493 Approved
0.766 Intermediate Similarity NPD9717 Approved
0.7651 Intermediate Similarity NPD4308 Phase 3
0.7644 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD4361 Phase 2
0.7632 Intermediate Similarity NPD7003 Approved
0.7632 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD1164 Approved
0.7622 Intermediate Similarity NPD2797 Approved
0.7622 Intermediate Similarity NPD1470 Approved
0.7607 Intermediate Similarity NPD5710 Approved
0.7607 Intermediate Similarity NPD5711 Approved
0.76 Intermediate Similarity NPD5404 Approved
0.76 Intermediate Similarity NPD5408 Approved
0.76 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5406 Approved
0.76 Intermediate Similarity NPD5405 Approved
0.7589 Intermediate Similarity NPD422 Phase 1
0.7589 Intermediate Similarity NPD1201 Approved
0.7568 Intermediate Similarity NPD5124 Phase 1
0.7568 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD230 Phase 1
0.7561 Intermediate Similarity NPD3926 Phase 2
0.7545 Intermediate Similarity NPD1729 Discontinued
0.75 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD3764 Approved
0.7471 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD4288 Approved
0.745 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD1876 Approved
0.7431 Intermediate Similarity NPD3225 Approved
0.7417 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD3027 Phase 3
0.7415 Intermediate Similarity NPD4625 Phase 3
0.7391 Intermediate Similarity NPD1465 Phase 2
0.7383 Intermediate Similarity NPD4307 Phase 2
0.7379 Intermediate Similarity NPD3267 Approved
0.7379 Intermediate Similarity NPD3266 Approved
0.7376 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD5890 Approved
0.7375 Intermediate Similarity NPD5889 Approved
0.7374 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1933 Approved
0.7325 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD7584 Approved
0.732 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7319 Intermediate Similarity NPD1241 Discontinued
0.7292 Intermediate Similarity NPD1608 Approved
0.7289 Intermediate Similarity NPD7229 Phase 3
0.7279 Intermediate Similarity NPD9494 Approved
0.7267 Intermediate Similarity NPD1613 Approved
0.7267 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD1651 Approved
0.7251 Intermediate Similarity NPD6104 Discontinued
0.7248 Intermediate Similarity NPD6798 Discontinued
0.7248 Intermediate Similarity NPD411 Approved
0.7248 Intermediate Similarity NPD1296 Phase 2
0.7244 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD2296 Approved
0.723 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD37 Approved
0.7222 Intermediate Similarity NPD6844 Discontinued
0.7219 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD447 Suspended
0.7211 Intermediate Similarity NPD1019 Discontinued
0.7208 Intermediate Similarity NPD1471 Phase 3
0.7205 Intermediate Similarity NPD6585 Discontinued
0.7202 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD1283 Approved
0.7182 Intermediate Similarity NPD6776 Approved
0.7182 Intermediate Similarity NPD6778 Approved
0.7182 Intermediate Similarity NPD6777 Approved
0.7182 Intermediate Similarity NPD6780 Approved
0.7182 Intermediate Similarity NPD6782 Approved
0.7182 Intermediate Similarity NPD6781 Approved
0.7182 Intermediate Similarity NPD6779 Approved
0.7168 Intermediate Similarity NPD8313 Approved
0.7168 Intermediate Similarity NPD8312 Approved
0.7162 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD4287 Approved
0.7143 Intermediate Similarity NPD4477 Approved
0.7143 Intermediate Similarity NPD4476 Approved
0.7133 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7199 Phase 2
0.7123 Intermediate Similarity NPD4749 Approved
0.7123 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD7177 Discontinued
0.7118 Intermediate Similarity NPD3751 Discontinued
0.7117 Intermediate Similarity NPD6280 Approved
0.7117 Intermediate Similarity NPD6279 Approved
0.7108 Intermediate Similarity NPD6234 Discontinued
0.7107 Intermediate Similarity NPD4662 Approved
0.7107 Intermediate Similarity NPD7422 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   480783
ChEMBL   CHEMBL494252
ZINC  

Physicochemical Properties

Molecular Weight:  406.18
ALogP:  1.7072
MLogP:  3.66
XLogP:  4.452
# Rotatable Bonds:  12
Polar Surface Area:  86.99
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  30

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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