Natural Product: NPC13575

Natural Product ID:  NPC13575
Common Name:   Dihydroxanthohumol
IUPAC Name:   1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
Synonyms:   Dihydroxanthohumol
Molecular Formula:   C21H24O5
Standard InCHIKey:  SVTCZHIDEDUTBH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3
Canonical SMILES:  COc1cc(O)c(c(c1C(=O)CCc1ccc(cc1)O)O)CC=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
NPO12196 Buphane fischeri NA NA NA UNPD*
NPO9934 Mycobacterium leprae Species Mycobacteriaceae Bacteria UNPD*
NPO6360 Xenoacremonium recifei Species Nectriaceae Eukaryota UNPD*
NPO252 Hoffmannia strigillosa Species Rubiaceae Eukaryota UNPD*
NPO10783 Syncarpia hillii Species Myrtaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TCM_Taiwan*
NPO13671 Ononis vaginalis Species Fabaceae Eukaryota UNPD*
NPO13030 Artemisia dentata Species Asteraceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TCMID*
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota UNPD*
NPO2398 Millettia erythrocalyx Species Fabaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota PMID[15679315]
NPO21830 Buddleja cordata Species Scrophulariaceae Eukaryota UNPD*
NPO12700 Diospyros eriantha Species Ebenaceae Eukaryota UNPD*
NPO13585 Rapanea lancifolia Species Primulaceae Eukaryota UNPD*
NPO5930 Crambe tatarica Species Brassicaceae Eukaryota UNPD*
NPO11848 Lemaireocereus griseus Species Cactaceae Eukaryota UNPD*
NPO13478 Scorzonera pseudodivaricata Species Asteraceae Eukaryota UNPD*
NPO9313 Fritillaria ningguoensis Species Liliaceae Eukaryota UNPD*
NPO14578 Prorocentrum micans Species Prorocentraceae Eukaryota UNPD*
NPO24390.1 Juniperus rigida var. conferta Varieties Cupressaceae Eukaryota UNPD*
NPO1834 Atalantia racemosa Species Rutaceae Eukaryota UNPD*
NPO12855 Alkanna cappadocica Species Boraginaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota UNPD*
NPO8928 Pteris semipinnata Species Pteridaceae Eukaryota UNPD*
NPO3492 Negombata magnifica Species Latrunculiidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 23000 nM 15679315
NPT113 Cell Line RAW264.7 Mus musculus Activity > 95 % 15679315
NPT174 Organism Streptococcus Streptococcus EC50 = 3046 nM PubChem BioAssay data set
NPT1252 Organism Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 = 2785 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 12589.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 11220.2 nM PubChem BioAssay data set
NPT1253 Individual Protein Calpain 2 Sus scrofa IC50 = 5000.36 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 20596.2 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 4466.8 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 44668.4 nM PubChem BioAssay data set
NPT1254 Individual Protein Streptokinase A Streptococcus pyogenes serotype M1 EC50 = 2757 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16360.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 25929 nM PubChem BioAssay data set
NPT1255 Individual Protein Sentrin-specific protease 8 Homo sapiens IC50 = 13300 nM PubChem BioAssay data set
NPT1256 Individual Protein Sentrin-specific protease 7 Homo sapiens IC50 = 7820 nM PubChem BioAssay data set
NPT1257 Individual Protein Sentrin-specific protease 6 Homo sapiens IC50 = 10000 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9285 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT979 Individual Protein Caspase-3 Homo sapiens IC50 > 100000 nM PubChem BioAssay data set
NPT259 Individual Protein Melanocortin receptor 4 Homo sapiens EC50 > 89202 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 6513.1 nM PubChem BioAssay data set
NPT1258 Others Opioid receptors; mu & delta Homo sapiens EC50 > 64584 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 707.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 3662.6 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 2511.9 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens IC50 = 74410 nM 23434138
NPT306 Cell Line PC-3 Homo sapiens IC50 = 14730 nM 23434138
NPT83 Cell Line MCF7 Homo sapiens IC50 = 9150 nM 23434138
NPT2 Others Unspecified IC50 = 12970 nM 23434138
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19952.6 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set

  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 NPC13575 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
0.9923 High Similarity NPC168105
0.9923 High Similarity NPC186838
0.9923 High Similarity NPC1486
0.9923 High Similarity NPC274109
0.9923 High Similarity NPC477242
0.9923 High Similarity NPC150399
0.9923 High Similarity NPC41461
0.9923 High Similarity NPC66349
0.9923 High Similarity NPC249606
0.9923 High Similarity NPC12165
0.9923 High Similarity NPC477244
0.9923 High Similarity NPC25287
0.9923 High Similarity NPC477243
0.9923 High Similarity NPC98115
0.9922 High Similarity NPC103842
0.9847 High Similarity NPC472419
0.9847 High Similarity NPC317119
0.9847 High Similarity NPC153979
0.9846 High Similarity NPC156092
0.9846 High Similarity NPC131039
0.9845 High Similarity NPC20560
0.9845 High Similarity NPC18877
0.9845 High Similarity NPC82225
0.9845 High Similarity NPC144051
0.9845 High Similarity NPC28753
0.9845 High Similarity NPC294593
0.9845 High Similarity NPC159623
0.9845 High Similarity NPC204960
0.9773 High Similarity NPC251681
0.9773 High Similarity NPC243528
0.9773 High Similarity NPC21350
0.9769 High Similarity NPC286336
0.9699 High Similarity NPC472366
0.9699 High Similarity NPC470211
0.9699 High Similarity NPC477956
0.9692 High Similarity NPC192304
0.9692 High Similarity NPC312318
0.9692 High Similarity NPC263670
0.9692 High Similarity NPC472365
0.9692 High Similarity NPC175098
0.9692 High Similarity NPC337373
0.9692 High Similarity NPC188646
0.9692 High Similarity NPC242294
0.9692 High Similarity NPC56031
0.9692 High Similarity NPC27643
0.9692 High Similarity NPC139813
0.969 High Similarity NPC186097
0.969 High Similarity NPC475009
0.969 High Similarity NPC475008
0.9627 High Similarity NPC241100
0.9627 High Similarity NPC213659
0.9627 High Similarity NPC215311
0.9627 High Similarity NPC11056
0.9627 High Similarity NPC159275
0.9627 High Similarity NPC144118
0.9627 High Similarity NPC80962
0.9627 High Similarity NPC172250
0.9627 High Similarity NPC48624
0.9627 High Similarity NPC326109
0.9627 High Similarity NPC259166
0.9627 High Similarity NPC219917
0.9627 High Similarity NPC204985
0.9624 High Similarity NPC471620
0.9615 High Similarity NPC212631
0.9615 High Similarity NPC15834
0.9615 High Similarity NPC129132
0.9615 High Similarity NPC257756
0.9615 High Similarity NPC205468
0.9615 High Similarity NPC87231
0.9615 High Similarity NPC215875
0.9556 High Similarity NPC26238
0.9556 High Similarity NPC470087
0.9556 High Similarity NPC282300
0.9556 High Similarity NPC26051
0.9556 High Similarity NPC321980
0.9556 High Similarity NPC55832
0.9556 High Similarity NPC110969
0.9556 High Similarity NPC469404
0.9556 High Similarity NPC470089
0.9556 High Similarity NPC268204
0.9556 High Similarity NPC52789
0.9552 High Similarity NPC96565
0.9552 High Similarity NPC220062
0.9552 High Similarity NPC217186
0.9552 High Similarity NPC216978
0.9552 High Similarity NPC283429
0.9552 High Similarity NPC55018
0.9552 High Similarity NPC301217
0.9552 High Similarity NPC303633
0.9552 High Similarity NPC18260
0.9552 High Similarity NPC53181
0.9552 High Similarity NPC78913
0.9552 High Similarity NPC295384
0.9542 High Similarity NPC16197
0.9538 High Similarity NPC64359
0.9538 High Similarity NPC128348
0.9538 High Similarity NPC112192
0.9538 High Similarity NPC313618
0.9538 High Similarity NPC189106
0.9538 High Similarity NPC164236
0.9538 High Similarity NPC308037
0.9538 High Similarity NPC309717
0.9538 High Similarity NPC262359
0.9538 High Similarity NPC66384
0.9535 High Similarity NPC84772
0.9485 High Similarity NPC1089
0.9485 High Similarity NPC125855
0.9485 High Similarity NPC182852
0.9485 High Similarity NPC107572
0.9485 High Similarity NPC306829
0.9485 High Similarity NPC11561
0.9485 High Similarity NPC32739
0.9485 High Similarity NPC76372
0.9485 High Similarity NPC161506
0.9485 High Similarity NPC226636
0.9485 High Similarity NPC166482
0.9485 High Similarity NPC37496
0.9485 High Similarity NPC167624
0.9485 High Similarity NPC220998
0.9485 High Similarity NPC76338
0.9485 High Similarity NPC296917
0.9485 High Similarity NPC227579
0.9485 High Similarity NPC78
0.9485 High Similarity NPC324436
0.9485 High Similarity NPC324134
0.9485 High Similarity NPC194432
0.9485 High Similarity NPC223500
0.9485 High Similarity NPC328164
0.9485 High Similarity NPC10937
0.9485 High Similarity NPC265040
0.9485 High Similarity NPC166934
0.9485 High Similarity NPC228504
0.9485 High Similarity NPC177354
0.9485 High Similarity NPC297600
0.9485 High Similarity NPC148757
0.9485 High Similarity NPC66515
0.9485 High Similarity NPC40833
0.9485 High Similarity NPC64915
0.9481 High Similarity NPC270883
0.9481 High Similarity NPC261227
0.9481 High Similarity NPC150522
0.9481 High Similarity NPC101366
0.9481 High Similarity NPC69769
0.9481 High Similarity NPC253822
0.9481 High Similarity NPC265178
0.9481 High Similarity NPC172986
0.9478 High Similarity NPC472368
0.9478 High Similarity NPC201395
0.9478 High Similarity NPC124269
0.9474 High Similarity NPC24394
0.9474 High Similarity NPC473391
0.9474 High Similarity NPC472367
0.9474 High Similarity NPC472364
0.9474 High Similarity NPC476333
0.9474 High Similarity NPC213603
0.9474 High Similarity NPC174999
0.947 High Similarity NPC164136
0.9462 High Similarity NPC324482
0.9457 High Similarity NPC230818
0.9416 High Similarity NPC39329
0.9416 High Similarity NPC125894
0.9416 High Similarity NPC107177
0.9416 High Similarity NPC310130
0.9416 High Similarity NPC257097
0.9416 High Similarity NPC68104
0.9416 High Similarity NPC169591
0.9416 High Similarity NPC278249
0.9416 High Similarity NPC166138
0.9416 High Similarity NPC221432
0.9416 High Similarity NPC117836
0.9416 High Similarity NPC150408
0.9416 High Similarity NPC106985
0.9416 High Similarity NPC81697
0.9416 High Similarity NPC85162
0.9416 High Similarity NPC51887
0.9416 High Similarity NPC164980
0.9416 High Similarity NPC475705
0.9416 High Similarity NPC301751
0.9416 High Similarity NPC476178
0.9416 High Similarity NPC143896
0.9416 High Similarity NPC75049
0.9416 High Similarity NPC214166
0.9416 High Similarity NPC77794
0.9416 High Similarity NPC245482
0.9416 High Similarity NPC149026
0.9416 High Similarity NPC91560
0.9416 High Similarity NPC316816
0.9416 High Similarity NPC478086
0.9416 High Similarity NPC185276
0.9416 High Similarity NPC223812
0.9416 High Similarity NPC18585
0.9416 High Similarity NPC175504
0.9412 High Similarity NPC324386
0.9412 High Similarity NPC96408
0.9412 High Similarity NPC279650
0.9412 High Similarity NPC248372
0.9412 High Similarity NPC40118
0.9412 High Similarity NPC166689
0.9412 High Similarity NPC156590
0.9412 High Similarity NPC126534

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC13575 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
0.9538 High Similarity NPD1240 Approved
0.9394 High Similarity NPD1607 Approved
0.9348 High Similarity NPD4378 Clinical (unspecified phase)
0.9254 High Similarity NPD1510 Phase 2
0.9118 High Similarity NPD1552 Clinical (unspecified phase)
0.9118 High Similarity NPD1550 Clinical (unspecified phase)
0.9071 High Similarity NPD7410 Clinical (unspecified phase)
0.9051 High Similarity NPD1549 Phase 2
0.8889 High Similarity NPD4380 Phase 2
0.8836 High Similarity NPD2393 Clinical (unspecified phase)
0.8828 High Similarity NPD7411 Suspended
0.8824 High Similarity NPD6651 Approved
0.8776 High Similarity NPD8443 Clinical (unspecified phase)
0.8768 High Similarity NPD2796 Approved
0.8658 High Similarity NPD7075 Discontinued
0.8633 High Similarity NPD2935 Discontinued
0.8601 High Similarity NPD6799 Approved
0.8581 High Similarity NPD7096 Clinical (unspecified phase)
0.8581 High Similarity NPD7819 Suspended
0.8514 High Similarity NPD6801 Discontinued
0.8514 High Similarity NPD1934 Approved
0.8511 High Similarity NPD970 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD1511 Approved
0.8456 Intermediate Similarity NPD2801 Approved
0.8451 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8451 Intermediate Similarity NPD2800 Approved
0.8394 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8378 Intermediate Similarity NPD6599 Discontinued
0.8356 Intermediate Similarity NPD1512 Approved
0.8344 Intermediate Similarity NPD7768 Phase 2
0.8344 Intermediate Similarity NPD3882 Suspended
0.8323 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8312 Intermediate Similarity NPD6232 Discontinued
0.8289 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8288 Intermediate Similarity NPD2533 Approved
0.8288 Intermediate Similarity NPD2534 Approved
0.8288 Intermediate Similarity NPD2532 Approved
0.8269 Intermediate Similarity NPD7473 Discontinued
0.8264 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8264 Intermediate Similarity NPD3750 Approved
0.8247 Intermediate Similarity NPD6959 Discontinued
0.8239 Intermediate Similarity NPD1551 Phase 2
0.8194 Intermediate Similarity NPD1243 Approved
0.8169 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8169 Intermediate Similarity NPD2799 Discontinued
0.8165 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8143 Intermediate Similarity NPD943 Approved
0.8089 Intermediate Similarity NPD6166 Phase 2
0.8089 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8089 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8069 Intermediate Similarity NPD2654 Approved
0.8063 Intermediate Similarity NPD5953 Discontinued
0.8056 Intermediate Similarity NPD2344 Approved
0.8054 Intermediate Similarity NPD920 Approved
0.8052 Intermediate Similarity NPD3749 Approved
0.805 Intermediate Similarity NPD7286 Phase 2
0.8039 Intermediate Similarity NPD3817 Phase 2
0.8029 Intermediate Similarity NPD1203 Approved
0.8027 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7973 Intermediate Similarity NPD7390 Discontinued
0.7971 Intermediate Similarity NPD2798 Approved
0.7963 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7949 Intermediate Similarity NPD5494 Approved
0.7941 Intermediate Similarity NPD3972 Approved
0.7933 Intermediate Similarity NPD5403 Approved
0.7919 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD3748 Approved
0.7888 Intermediate Similarity NPD7074 Phase 3
0.7875 Intermediate Similarity NPD3818 Discontinued
0.7872 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD2313 Discontinued
0.7857 Intermediate Similarity NPD6832 Phase 2
0.7838 Intermediate Similarity NPD2309 Approved
0.7826 Intermediate Similarity NPD7054 Approved
0.782 Intermediate Similarity NPD9493 Approved
0.781 Intermediate Similarity NPD9717 Approved
0.78 Intermediate Similarity NPD5401 Approved
0.7791 Intermediate Similarity NPD6559 Discontinued
0.7778 Intermediate Similarity NPD7472 Approved
0.777 Intermediate Similarity NPD4628 Phase 3
0.7756 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD3268 Approved
0.774 Intermediate Similarity NPD6099 Approved
0.774 Intermediate Similarity NPD6100 Approved
0.7737 Intermediate Similarity NPD422 Phase 1
0.7737 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD6797 Phase 2
0.773 Intermediate Similarity NPD4908 Phase 1
0.7712 Intermediate Similarity NPD3226 Approved
0.7704 Intermediate Similarity NPD9545 Approved
0.7704 Intermediate Similarity NPD1548 Phase 1
0.7697 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD7251 Discontinued
0.7671 Intermediate Similarity NPD7033 Discontinued
0.7658 Intermediate Similarity NPD919 Approved
0.7643 Intermediate Similarity NPD1164 Approved
0.7643 Intermediate Similarity NPD2797 Approved
0.7636 Intermediate Similarity NPD7808 Phase 3
0.7625 Intermediate Similarity NPD5710 Approved
0.7625 Intermediate Similarity NPD5711 Approved
0.7609 Intermediate Similarity NPD1201 Approved
0.7609 Intermediate Similarity NPD1610 Phase 2
0.7607 Intermediate Similarity NPD5844 Phase 1
0.7597 Intermediate Similarity NPD7458 Discontinued
0.758 Intermediate Similarity NPD5402 Approved
0.7578 Intermediate Similarity NPD3926 Phase 2
0.7568 Intermediate Similarity NPD2346 Discontinued
0.7562 Intermediate Similarity NPD1247 Approved
0.7561 Intermediate Similarity NPD1729 Discontinued
0.7533 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD7003 Approved
0.753 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD1470 Approved
0.75 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5404 Approved
0.75 Intermediate Similarity NPD5408 Approved
0.75 Intermediate Similarity NPD4360 Phase 2
0.75 Intermediate Similarity NPD4363 Phase 3
0.75 Intermediate Similarity NPD5406 Approved
0.75 Intermediate Similarity NPD5405 Approved
0.7466 Intermediate Similarity NPD230 Phase 1
0.7466 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD5124 Phase 1
0.7457 Intermediate Similarity NPD4361 Phase 2
0.7457 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD3225 Approved
0.7447 Intermediate Similarity NPD1876 Approved
0.7432 Intermediate Similarity NPD4308 Phase 3
0.7432 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD4625 Phase 3
0.7431 Intermediate Similarity NPD3027 Phase 3
0.7429 Intermediate Similarity NPD1608 Approved
0.7414 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD3266 Approved
0.7394 Intermediate Similarity NPD3267 Approved
0.7391 Intermediate Similarity NPD1651 Approved
0.7386 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD3764 Approved
0.7379 Intermediate Similarity NPD1296 Phase 2
0.7347 Intermediate Similarity NPD1933 Approved
0.7347 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1241 Discontinued
0.7324 Intermediate Similarity NPD1283 Approved
0.7305 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD1465 Phase 2
0.7287 Intermediate Similarity NPD940 Approved
0.7287 Intermediate Similarity NPD846 Approved
0.7286 Intermediate Similarity NPD3847 Discontinued
0.7283 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD6104 Discontinued
0.726 Intermediate Similarity NPD6798 Discontinued
0.726 Intermediate Similarity NPD411 Approved
0.7254 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2296 Approved
0.725 Intermediate Similarity NPD4288 Approved
0.7241 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD447 Suspended
0.7226 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1019 Discontinued
0.7219 Intermediate Similarity NPD1471 Phase 3
0.7219 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD9266 Approved
0.7218 Intermediate Similarity NPD74 Approved
0.7214 Intermediate Similarity NPD4626 Approved
0.7214 Intermediate Similarity NPD17 Approved
0.7195 Intermediate Similarity NPD7229 Phase 3
0.7191 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD1481 Phase 2
0.7179 Intermediate Similarity NPD5049 Phase 3
0.7172 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD9494 Approved
0.717 Intermediate Similarity NPD5889 Approved
0.717 Intermediate Similarity NPD5890 Approved
0.7162 Intermediate Similarity NPD4307 Phase 2
0.7162 Intermediate Similarity NPD1613 Approved
0.7162 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD4476 Approved
0.7152 Intermediate Similarity NPD4477 Approved
0.7143 Intermediate Similarity NPD9264 Approved
0.7143 Intermediate Similarity NPD2354 Approved
0.7143 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD9267 Approved
0.7143 Intermediate Similarity NPD9263 Approved
0.7133 Intermediate Similarity NPD4749 Approved
0.7126 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD37 Approved
0.7115 Intermediate Similarity NPD4661 Approved
0.7115 Intermediate Similarity NPD4662 Approved
0.7114 Intermediate Similarity NPD6355 Discontinued
0.7113 Intermediate Similarity NPD1281 Approved
0.7113 Intermediate Similarity NPD1535 Discovery
0.7108 Intermediate Similarity NPD2403 Approved
0.7107 Intermediate Similarity NPD6585 Discontinued
0.7103 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD1894 Discontinued
0.7069 Intermediate Similarity NPD4287 Approved
0.7069 Intermediate Similarity NPD8397 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10450920
ChEMBL   CHEMBL510279
ZINC  

Physicochemical Properties

Molecular Weight:  356.16
ALogP:  0.2781
MLogP:  3.22
XLogP:  3.538
# Rotatable Bonds:  13
Polar Surface Area:  86.99
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  26

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