Natural Product: NPC14353

Natural Product ID:  NPC14353
Common Name:   Beta-Mangostin
IUPAC Name:   1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Synonyms:   Beta-Mangostin
Molecular Formula:   C25H28O6
Standard InCHIKey:  YRKKJHJIWCRNCW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
Canonical SMILES:  COc1c(O)cc2c(c1CC=C(C)C)c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)OC
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
NPO25472 Garcinia cowa Species Clusiaceae Eukaryota Flowers Pakook, Muang District, Chiang Rai Province, Thailand 2013-FEB PMID[25651042]
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota stem bark Pangradin village, Jasinga, West Java, Indonesia 2005-AUG PMID[19839614]
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota UNPD*
NPO8560 Aplidium tabascum Species Polyclinidae Eukaryota UNPD*
NPO10056 Nicotiana sylvestris Species Solanaceae Eukaryota UNPD*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota UNPD*
NPO9520 Cratoxylum sumatranum Species Hypericaceae Eukaryota UNPD*
NPO6106 Hymeniacidon perlevis Species Halichondriidae Eukaryota UNPD*
NPO3449 Lonicera hypoleuca Species Caprifoliaceae Eukaryota UNPD*
NPO19227 Hippoglossus hippoglossus Species Pleuronectidae Eukaryota UNPD*
NPO11770 Amphicome emodi NA NA NA UNPD*
NPO19560 Populus italica Species Salicaceae Eukaryota UNPD*
NPO7534 Leptogorgia sarmentosa Species Gorgoniidae Eukaryota UNPD*
NPO18995 Gaultheria itoana Species Ericaceae Eukaryota UNPD*
NPO18657 Galanthus gracilis Species Amaryllidaceae Eukaryota UNPD*
NPO16038 Ribes rubrum Species Grossulariaceae Eukaryota UNPD*
NPO9741 Actinopyga agassizi Species Holothuriidae Eukaryota UNPD*
NPO8927 Poria selecta Species Coccinellidae Eukaryota UNPD*
NPO9717 Wibelia divaricata Species Davalliaceae Eukaryota UNPD*
NPO10376 Arcyria denudata Species Trichiidae Eukaryota UNPD*
NPO8354 Aster bellidiastrum Species Asteraceae Eukaryota UNPD*
NPO27924 Serpocaulon triseriale Species Polypodiaceae Eukaryota UNPD*
NPO24931 Myelochroa aurulenta Species Parmeliaceae Eukaryota UNPD*
NPO12600 Trametes cinnabarina Species Coriolaceae Eukaryota UNPD*
NPO18783 Garcinia fusca Species Clusiaceae Eukaryota PMID[12608849]
NPO19359 Parmotrema delicatulum Species Parmeliaceae Eukaryota UNPD*
NPO24928 Cratoxylum cochinchinense Species Hypericaceae Eukaryota TCMID*
NPO22337 Garcinia dulcis Species Clusiaceae Eukaryota TCMID*
NPO13263 Verbena brasiliensis Species Verbenaceae Eukaryota UNPD*
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota TCMID*
NPO7811 Scleronephthya pallida Species Nephtheidae Eukaryota UNPD*
NPO14950 Ardisia polycephala Species Primulaceae Eukaryota UNPD*
NPO19501 Pseudosuberites hyalinus Species Suberitidae Eukaryota UNPD*
NPO3707 Chromatium okenii Species Chromatiaceae Bacteria UNPD*
NPO10849 Eucalyptus camaldulensis Species Myrtaceae Eukaryota UNPD*
NPO25216 Senecio vellereus Species Asteraceae Eukaryota UNPD*
NPO4064 Halimodendron halodendron Species Fabaceae Eukaryota UNPD*
NPO16745 Scorzonera judaica Species Asteraceae Eukaryota UNPD*
NPO17438 Polygala virgata Species Polygalaceae Eukaryota UNPD*
NPO10221 Streptomyces alboniger Species Streptomycetaceae Bacteria UNPD*
NPO18005 Artemisia leucodes Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 7600 nM 12932141
NPT2 Others Unspecified Inhibition = 0 % 12608849
NPT2 Others Unspecified Inhibition = 20.5 % 12608849
NPT2 Others Unspecified Inhibition = 62.6 % 12608849
NPT2 Others Unspecified Inhibition = 90.4 % 12608849
NPT2 Others Unspecified IC50 = 270 molar ratio 12608849
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 12608849
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 12608849
NPT139 Cell Line HT-29 Homo sapiens ED50 = 1.7 nM 19839614
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens IC50 = 7500 nM 19839614
NPT721 Individual Protein Nuclear factor NF-kappa-B p65 subunit Homo sapiens IC50 = 12100 nM 19839614
NPT344 Individual Protein Sialidase Clostridium perfringens IC50 = 60700 nM 20696581
NPT344 Individual Protein Sialidase Clostridium perfringens Ki = 24900 nM 20696581
NPT865 Individual Protein Fatty acid synthase Homo sapiens IC50 = 24830 nM 20817450
NPT2 Others Unspecified Inhibition = 73.1 % 25651042
NPT2 Others Unspecified IC50 = 8700 nM 25651042
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 16 ug/ml 25651042
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 4 ug/ml 25651042
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128 ug/ml 25651042
NPT19 Organism Escherichia coli Escherichia coli MIC > 128 ug/ml 25651042
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 128 ug/ml 25651042
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 128 ug/ml 25651042
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Ki = 12000 nM 26508549

  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 NPC14353 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 NPC228785
1.0 High Similarity NPC56085
0.9934 High Similarity NPC278052
0.9934 High Similarity NPC61010
0.9934 High Similarity NPC100123
0.9934 High Similarity NPC40491
0.9868 High Similarity NPC241904
0.9868 High Similarity NPC300727
0.9868 High Similarity NPC320359
0.9868 High Similarity NPC217677
0.9868 High Similarity NPC165977
0.9805 High Similarity NPC236132
0.9805 High Similarity NPC248638
0.9805 High Similarity NPC152659
0.9805 High Similarity NPC236521
0.9805 High Similarity NPC220313
0.9805 High Similarity NPC7483
0.9803 High Similarity NPC476242
0.9801 High Similarity NPC274730
0.9801 High Similarity NPC142339
0.9742 High Similarity NPC326520
0.9742 High Similarity NPC275780
0.9742 High Similarity NPC472450
0.9742 High Similarity NPC239752
0.974 High Similarity NPC25152
0.9739 High Similarity NPC475886
0.9739 High Similarity NPC474287
0.9737 High Similarity NPC262286
0.9737 High Similarity NPC36852
0.9737 High Similarity NPC78225
0.9737 High Similarity NPC236796
0.9679 High Similarity NPC170245
0.9679 High Similarity NPC39091
0.9677 High Similarity NPC23298
0.9677 High Similarity NPC189473
0.9677 High Similarity NPC270837
0.9675 High Similarity NPC475883
0.9675 High Similarity NPC32694
0.9675 High Similarity NPC474187
0.9675 High Similarity NPC474186
0.9675 High Similarity NPC474351
0.9671 High Similarity NPC68093
0.9671 High Similarity NPC138243
0.9671 High Similarity NPC191146
0.9669 High Similarity NPC89474
0.9618 High Similarity NPC6588
0.9618 High Similarity NPC117854
0.9618 High Similarity NPC477154
0.9613 High Similarity NPC229632
0.9613 High Similarity NPC294965
0.961 High Similarity NPC235018
0.961 High Similarity NPC36217
0.961 High Similarity NPC119224
0.961 High Similarity NPC200746
0.961 High Similarity NPC45146
0.9608 High Similarity NPC136674
0.9608 High Similarity NPC469584
0.9608 High Similarity NPC223787
0.9605 High Similarity NPC113906
0.9554 High Similarity NPC472449
0.9554 High Similarity NPC37870
0.9551 High Similarity NPC146134
0.9551 High Similarity NPC474350
0.9551 High Similarity NPC197168
0.9551 High Similarity NPC475985
0.9551 High Similarity NPC41301
0.9548 High Similarity NPC266314
0.9548 High Similarity NPC66288
0.9545 High Similarity NPC250214
0.9545 High Similarity NPC329091
0.9545 High Similarity NPC235448
0.9545 High Similarity NPC95936
0.9536 High Similarity NPC202157
0.949 High Similarity NPC473286
0.949 High Similarity NPC25361
0.9487 High Similarity NPC52204
0.9487 High Similarity NPC83922
0.9487 High Similarity NPC470694
0.9487 High Similarity NPC472448
0.9487 High Similarity NPC201800
0.9487 High Similarity NPC329760
0.9484 High Similarity NPC204290
0.9484 High Similarity NPC471973
0.9484 High Similarity NPC139036
0.9484 High Similarity NPC246478
0.9484 High Similarity NPC476980
0.9484 High Similarity NPC80375
0.9481 High Similarity NPC472914
0.9481 High Similarity NPC162869
0.9481 High Similarity NPC156057
0.9481 High Similarity NPC245758
0.9481 High Similarity NPC474208
0.9481 High Similarity NPC472911
0.9481 High Similarity NPC475267
0.9481 High Similarity NPC474836
0.9481 High Similarity NPC222814
0.9481 High Similarity NPC472910
0.9481 High Similarity NPC96167
0.9481 High Similarity NPC472913
0.9481 High Similarity NPC48208
0.9477 High Similarity NPC117992
0.9477 High Similarity NPC230149
0.9477 High Similarity NPC45849
0.9477 High Similarity NPC200761
0.9477 High Similarity NPC57674
0.9477 High Similarity NPC470327
0.9477 High Similarity NPC168247
0.9477 High Similarity NPC152951
0.9477 High Similarity NPC477503
0.9474 High Similarity NPC101996
0.9474 High Similarity NPC471982
0.9474 High Similarity NPC120537
0.9474 High Similarity NPC199100
0.9474 High Similarity NPC180234
0.947 High Similarity NPC151473
0.9427 High Similarity NPC186686
0.9427 High Similarity NPC207690
0.9423 High Similarity NPC472275
0.9423 High Similarity NPC167678
0.9423 High Similarity NPC258331
0.9423 High Similarity NPC29876
0.9419 High Similarity NPC210459
0.9419 High Similarity NPC185258
0.9419 High Similarity NPC85121
0.9419 High Similarity NPC172770
0.9419 High Similarity NPC474290
0.9416 High Similarity NPC209614
0.9416 High Similarity NPC235165
0.9416 High Similarity NPC35038
0.9416 High Similarity NPC195796
0.9416 High Similarity NPC472916
0.9416 High Similarity NPC472626
0.9416 High Similarity NPC255106
0.9416 High Similarity NPC291878
0.9416 High Similarity NPC470328
0.9416 High Similarity NPC278778
0.9412 High Similarity NPC88645
0.9412 High Similarity NPC69394
0.9412 High Similarity NPC183878
0.9412 High Similarity NPC271779
0.9412 High Similarity NPC145379
0.9412 High Similarity NPC292214
0.9412 High Similarity NPC227337
0.9412 High Similarity NPC255350
0.9412 High Similarity NPC273462
0.9412 High Similarity NPC206238
0.9412 High Similarity NPC231018
0.9412 High Similarity NPC47781
0.9412 High Similarity NPC22519
0.9412 High Similarity NPC250822
0.9412 High Similarity NPC49402
0.9412 High Similarity NPC176775
0.9412 High Similarity NPC70433
0.9412 High Similarity NPC276409
0.9412 High Similarity NPC75279
0.9412 High Similarity NPC33051
0.9412 High Similarity NPC274327
0.9412 High Similarity NPC160951
0.9412 High Similarity NPC167091
0.9408 High Similarity NPC171010
0.9408 High Similarity NPC117579
0.9367 High Similarity NPC293319
0.9367 High Similarity NPC475888
0.9363 High Similarity NPC211107
0.9363 High Similarity NPC474150
0.9363 High Similarity NPC81679
0.9363 High Similarity NPC474162
0.9359 High Similarity NPC321399
0.9359 High Similarity NPC84571
0.9359 High Similarity NPC299436
0.9355 High Similarity NPC210084
0.9355 High Similarity NPC79053
0.9355 High Similarity NPC181960
0.9355 High Similarity NPC299520
0.9355 High Similarity NPC474055
0.9355 High Similarity NPC291508
0.9355 High Similarity NPC476981
0.9355 High Similarity NPC99597
0.9355 High Similarity NPC180011
0.9355 High Similarity NPC129684
0.9355 High Similarity NPC27337
0.9355 High Similarity NPC161960
0.9355 High Similarity NPC304008
0.9355 High Similarity NPC472598
0.9355 High Similarity NPC187745
0.9355 High Similarity NPC219867
0.9355 High Similarity NPC472963
0.9351 High Similarity NPC20830
0.9351 High Similarity NPC183597
0.9351 High Similarity NPC130589
0.9351 High Similarity NPC37392
0.9351 High Similarity NPC227325
0.9351 High Similarity NPC256612
0.9351 High Similarity NPC134287
0.9351 High Similarity NPC50715
0.9351 High Similarity NPC128863
0.9351 High Similarity NPC208197
0.9351 High Similarity NPC2476
0.9351 High Similarity NPC201136
0.9351 High Similarity NPC472909

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC14353 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
0.9412 High Similarity NPD2801 Approved
0.9286 High Similarity NPD2393 Clinical (unspecified phase)
0.9221 High Similarity NPD1934 Approved
0.8875 High Similarity NPD5494 Approved
0.8824 High Similarity NPD1511 Approved
0.8805 High Similarity NPD3882 Suspended
0.8773 High Similarity NPD6167 Clinical (unspecified phase)
0.8773 High Similarity NPD6168 Clinical (unspecified phase)
0.8773 High Similarity NPD6166 Phase 2
0.8765 High Similarity NPD6232 Discontinued
0.872 High Similarity NPD7473 Discontinued
0.871 High Similarity NPD1512 Approved
0.8645 High Similarity NPD4378 Clinical (unspecified phase)
0.8614 High Similarity NPD5844 Phase 1
0.8571 High Similarity NPD4868 Clinical (unspecified phase)
0.8563 High Similarity NPD7074 Phase 3
0.8562 High Similarity NPD1465 Phase 2
0.8562 High Similarity NPD7819 Suspended
0.8554 High Similarity NPD3818 Discontinued
0.8521 High Similarity NPD4338 Clinical (unspecified phase)
0.8509 High Similarity NPD3817 Phase 2
0.8503 High Similarity NPD7054 Approved
0.8491 Intermediate Similarity NPD4380 Phase 2
0.8476 Intermediate Similarity NPD6959 Discontinued
0.8452 Intermediate Similarity NPD7472 Approved
0.8405 Intermediate Similarity NPD7075 Discontinued
0.8333 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8312 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8312 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8294 Intermediate Similarity NPD6797 Phase 2
0.8282 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD1549 Phase 2
0.8246 Intermediate Similarity NPD7251 Discontinued
0.8198 Intermediate Similarity NPD7808 Phase 3
0.8182 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD2534 Approved
0.8176 Intermediate Similarity NPD2533 Approved
0.8176 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD2532 Approved
0.8144 Intermediate Similarity NPD1247 Approved
0.8141 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD7411 Suspended
0.8089 Intermediate Similarity NPD2800 Approved
0.8081 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.807 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD1510 Phase 2
0.8049 Intermediate Similarity NPD6801 Discontinued
0.8039 Intermediate Similarity NPD1240 Approved
0.8039 Intermediate Similarity NPD943 Approved
0.8023 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD2935 Discontinued
0.8013 Intermediate Similarity NPD2796 Approved
0.8 Intermediate Similarity NPD6799 Approved
0.7964 Intermediate Similarity NPD3749 Approved
0.7952 Intermediate Similarity NPD5402 Approved
0.7949 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD3926 Phase 2
0.7935 Intermediate Similarity NPD1607 Approved
0.7931 Intermediate Similarity NPD6559 Discontinued
0.7927 Intermediate Similarity NPD6599 Discontinued
0.7925 Intermediate Similarity NPD3750 Approved
0.7923 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD6234 Discontinued
0.7895 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD3226 Approved
0.7848 Intermediate Similarity NPD2346 Discontinued
0.7834 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD919 Approved
0.7806 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD1613 Approved
0.7798 Intermediate Similarity NPD7768 Phase 2
0.7785 Intermediate Similarity NPD6100 Approved
0.7785 Intermediate Similarity NPD6099 Approved
0.7778 Intermediate Similarity NPD7390 Discontinued
0.7756 Intermediate Similarity NPD230 Phase 1
0.7725 Intermediate Similarity NPD37 Approved
0.7719 Intermediate Similarity NPD7199 Phase 2
0.7701 Intermediate Similarity NPD3751 Discontinued
0.7701 Intermediate Similarity NPD7228 Approved
0.7692 Intermediate Similarity NPD4966 Approved
0.7692 Intermediate Similarity NPD4965 Approved
0.7692 Intermediate Similarity NPD4967 Phase 2
0.7674 Intermediate Similarity NPD5711 Approved
0.7674 Intermediate Similarity NPD5710 Approved
0.7674 Intermediate Similarity NPD3787 Discontinued
0.7654 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD447 Suspended
0.764 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD3027 Phase 3
0.761 Intermediate Similarity NPD3748 Approved
0.761 Intermediate Similarity NPD2799 Discontinued
0.7595 Intermediate Similarity NPD6651 Approved
0.7542 Intermediate Similarity NPD8313 Approved
0.7542 Intermediate Similarity NPD8312 Approved
0.754 Intermediate Similarity NPD6782 Approved
0.754 Intermediate Similarity NPD6777 Approved
0.754 Intermediate Similarity NPD6780 Approved
0.754 Intermediate Similarity NPD6776 Approved
0.754 Intermediate Similarity NPD6779 Approved
0.754 Intermediate Similarity NPD6781 Approved
0.754 Intermediate Similarity NPD6778 Approved
0.7531 Intermediate Similarity NPD1243 Approved
0.753 Intermediate Similarity NPD920 Approved
0.753 Intermediate Similarity NPD5403 Approved
0.7516 Intermediate Similarity NPD2344 Approved
0.75 Intermediate Similarity NPD4625 Phase 3
0.7486 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD4628 Phase 3
0.7485 Intermediate Similarity NPD1653 Approved
0.7472 Intermediate Similarity NPD5953 Discontinued
0.7458 Intermediate Similarity NPD7286 Phase 2
0.7455 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD1551 Phase 2
0.7452 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD2313 Discontinued
0.7421 Intermediate Similarity NPD1933 Approved
0.7421 Intermediate Similarity NPD7435 Discontinued
0.7418 Intermediate Similarity NPD8150 Discontinued
0.741 Intermediate Similarity NPD5401 Approved
0.741 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD8151 Discontinued
0.7372 Intermediate Similarity NPD9494 Approved
0.7371 Intermediate Similarity NPD7229 Phase 3
0.7338 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2309 Approved
0.7333 Intermediate Similarity NPD6190 Approved
0.7333 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7783 Phase 2
0.733 Intermediate Similarity NPD7697 Approved
0.733 Intermediate Similarity NPD7696 Phase 3
0.733 Intermediate Similarity NPD7698 Approved
0.7325 Intermediate Similarity NPD4908 Phase 1
0.7322 Intermediate Similarity NPD8434 Phase 2
0.7292 Intermediate Similarity NPD7871 Phase 2
0.7292 Intermediate Similarity NPD7870 Phase 2
0.7289 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD6823 Phase 2
0.7273 Intermediate Similarity NPD6535 Approved
0.7273 Intermediate Similarity NPD6534 Approved
0.7273 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4360 Phase 2
0.7273 Intermediate Similarity NPD4363 Phase 3
0.7268 Intermediate Similarity NPD7701 Phase 2
0.725 Intermediate Similarity NPD4060 Phase 1
0.7244 Intermediate Similarity NPD1470 Approved
0.7238 Intermediate Similarity NPD7685 Pre-registration
0.7238 Intermediate Similarity NPD7240 Approved
0.7235 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5242 Approved
0.7208 Intermediate Similarity NPD1201 Approved
0.7208 Intermediate Similarity NPD1610 Phase 2
0.7194 Intermediate Similarity NPD7874 Approved
0.7194 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD2403 Approved
0.7161 Intermediate Similarity NPD9269 Phase 2
0.7158 Intermediate Similarity NPD7699 Phase 2
0.7158 Intermediate Similarity NPD7700 Phase 2
0.7157 Intermediate Similarity NPD7801 Approved
0.7152 Intermediate Similarity NPD2861 Phase 2
0.7151 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD5408 Approved
0.7134 Intermediate Similarity NPD1203 Approved
0.7134 Intermediate Similarity NPD5406 Approved
0.7134 Intermediate Similarity NPD5404 Approved
0.7134 Intermediate Similarity NPD5405 Approved
0.7126 Intermediate Similarity NPD5353 Approved
0.7125 Intermediate Similarity NPD3268 Approved
0.712 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD4749 Approved
0.711 Intermediate Similarity NPD6844 Discontinued
0.7108 Intermediate Similarity NPD6674 Discontinued
0.7108 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD1471 Phase 3
0.7089 Intermediate Similarity NPD2798 Approved
0.7059 Intermediate Similarity NPD4287 Approved
0.7059 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD4361 Phase 2
0.7053 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD1608 Approved
0.7048 Intermediate Similarity NPD2424 Discontinued
0.7047 Intermediate Similarity NPD2494 Approved
0.7047 Intermediate Similarity NPD2493 Approved
0.7041 Intermediate Similarity NPD7584 Approved
0.7037 Intermediate Similarity NPD6213 Phase 3
0.7037 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6212 Phase 3
0.7035 Intermediate Similarity NPD7458 Discontinued
0.7029 Intermediate Similarity NPD4288 Approved
0.7025 Intermediate Similarity NPD2797 Approved

Structure

External Identifiers

PubChem CID   5495925
ChEMBL   CHEMBL261706
ZINC  

Physicochemical Properties

Molecular Weight:  424.19
ALogP:  2.3127
MLogP:  3.55
XLogP:  3.629
# Rotatable Bonds:  14
Polar Surface Area:  85.22
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  31

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs