Natural Product: NPC191146

Natural Product ID:  NPC191146
Common Name:   Gartanin
IUPAC Name:   1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Synonyms:   Gartanin
Molecular Formula:   C23H24O6
Standard InCHIKey:  OJXQLGQIDIPMTE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
Canonical SMILES:  CC(=CCc1c(O)c(CC=C(C)C)c(c2c1oc1c(O)ccc(c1c2=O)O)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
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota stem bark Pangradin village, Jasinga, West Java, Indonesia 2005-AUG PMID[19839614]
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota fruit hulls Madras, Tamil Nadu, India 1993-MAR PMID[9213587]
NPO9741 Actinopyga agassizi Species Holothuriidae Eukaryota UNPD*
NPO10849 Eucalyptus camaldulensis Species Myrtaceae Eukaryota UNPD*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota UNPD*
NPO10376 Arcyria denudata Species Trichiidae Eukaryota UNPD*
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota TCMID*
NPO22337 Garcinia dulcis Species Clusiaceae Eukaryota TCMID*
NPO12600 Trametes cinnabarina Species Coriolaceae Eukaryota UNPD*
NPO8354 Aster bellidiastrum Species Asteraceae Eukaryota UNPD*
NPO27239 Maclura tinctoria Species Moraceae Eukaryota PMID[11087602]
NPO22337 Garcinia dulcis Species Clusiaceae Eukaryota HerDing*
NPO3806 Garcinia morella Species Clusiaceae Eukaryota TCM_Taiwan*
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota HerDing*
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota PMID[18464091]
NPO7920 Pentadesma butyracea Species Clusiaceae Eukaryota PMID[19296616]
NPO6871 Garcinia staudtii Species Clusiaceae Eukaryota Twigs PMID[19604701]
NPO32914 garcinia propinqua Species Clusiaceae Eukaryota Twigs PMID[22963193]
NPO3707 Chromatium okenii Species Chromatiaceae Bacteria UNPD*
NPO4064 Halimodendron halodendron Species Fabaceae Eukaryota UNPD*
NPO7811 Scleronephthya pallida Species Nephtheidae Eukaryota UNPD*
NPO25216 Senecio vellereus Species Asteraceae Eukaryota UNPD*
NPO9717 Wibelia divaricata Species Davalliaceae Eukaryota UNPD*
NPO10056 Nicotiana sylvestris Species Solanaceae Eukaryota UNPD*
NPO10221 Streptomyces alboniger Species Streptomycetaceae Bacteria UNPD*
NPO3449 Lonicera hypoleuca Species Caprifoliaceae Eukaryota UNPD*
NPO7534 Leptogorgia sarmentosa Species Gorgoniidae Eukaryota UNPD*
NPO8560 Aplidium tabascum Species Polyclinidae Eukaryota UNPD*
NPO24931 Myelochroa aurulenta Species Parmeliaceae Eukaryota UNPD*
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota UNPD*
NPO27924 Serpocaulon triseriale Species Polypodiaceae Eukaryota UNPD*
NPO8927 Poria selecta Species Coccinellidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT315 Cell Line CEM-SS Homo sapiens IC50 = 5.3 ug/ml 11087602
NPT2646 Organism Alternaria tenuis Alternaria tenuis Inhibition = 4 % 9213587
NPT2646 Organism Alternaria tenuis Alternaria tenuis Inhibition = 20 % 9213587
NPT2646 Organism Alternaria tenuis Alternaria tenuis Inhibition = 22 % 9213587
NPT2646 Organism Alternaria tenuis Alternaria tenuis Inhibition = 29 % 9213587
NPT2647 Organism Drechslera Drechslera Inhibition = 18 % 9213587
NPT2647 Organism Drechslera Drechslera Inhibition = 54 % 9213587
NPT2647 Organism Drechslera Drechslera Inhibition = 75 % 9213587
NPT2647 Organism Drechslera Drechslera Inhibition = 71 % 9213587
NPT2648 Organism Fusarium oxysporum f. sp. vasinfectum Fusarium oxysporum f. sp. vasinfectum Inhibition = 3 % 9213587
NPT2648 Organism Fusarium oxysporum f. sp. vasinfectum Fusarium oxysporum f. sp. vasinfectum Inhibition = 4 % 9213587
NPT2648 Organism Fusarium oxysporum f. sp. vasinfectum Fusarium oxysporum f. sp. vasinfectum Inhibition = 9 % 9213587
NPT2648 Organism Fusarium oxysporum f. sp. vasinfectum Fusarium oxysporum f. sp. vasinfectum Inhibition = 12 % 9213587
NPT441 Individual Protein Cytochrome P450 19A1 Homo sapiens Activity = 75.9 % 18558747
NPT1225 Organism Plasmodium falciparum (isolate FcB1 / Columbia) Plasmodium falciparum FcB1/Columbia IC50 = 3.1 ug/ml 19296616
NPT83 Cell Line MCF7 Homo sapiens IC50 = 1.2 ug/ml 19296616
NPT2 Others Unspecified Ratio IC50 = 0.39 19296616
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32 ug/ml 19604701
NPT721 Individual Protein Nuclear factor NF-kappa-B p65 subunit Homo sapiens IC50 = 19000 nM 19839614
NPT139 Cell Line HT-29 Homo sapiens ED50 > 0.01 nM 19839614
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens IC50 > 20000 nM 19839614
NPT3892 Individual Protein Tumor necrosis factor receptor superfamily member 10B Homo sapiens FC = 3.1 19788289
NPT344 Individual Protein Sialidase Clostridium perfringens IC50 = 2900 nM 20696581
NPT344 Individual Protein Sialidase Clostridium perfringens Ki = 3600 nM 20696581
NPT344 Individual Protein Sialidase Clostridium perfringens Ki = 436.66 nM 20696581
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 22963193
NPT19 Organism Escherichia coli Escherichia coli MIC = 128 ug/ml 22963193
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 128 ug/ml 22963193
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 93.9 % 26508549
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 89.9 % 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 NPC191146 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 NPC68093
0.9933 High Similarity NPC78225
0.9866 High Similarity NPC138243
0.9801 High Similarity NPC204290
0.98 High Similarity NPC262286
0.98 High Similarity NPC36852
0.9737 High Similarity NPC167678
0.9737 High Similarity NPC266314
0.9737 High Similarity NPC29876
0.9735 High Similarity NPC100123
0.9735 High Similarity NPC250214
0.9735 High Similarity NPC95936
0.9732 High Similarity NPC273462
0.9732 High Similarity NPC33051
0.9732 High Similarity NPC49402
0.9732 High Similarity NPC227337
0.9732 High Similarity NPC70433
0.9673 High Similarity NPC472448
0.9673 High Similarity NPC83922
0.9671 High Similarity NPC14353
0.9671 High Similarity NPC228785
0.9671 High Similarity NPC320359
0.9671 High Similarity NPC476980
0.9671 High Similarity NPC56085
0.9669 High Similarity NPC472914
0.9669 High Similarity NPC48208
0.9669 High Similarity NPC474208
0.9669 High Similarity NPC96167
0.9669 High Similarity NPC472913
0.9669 High Similarity NPC475267
0.9669 High Similarity NPC223787
0.9669 High Similarity NPC474836
0.9669 High Similarity NPC472911
0.9669 High Similarity NPC472910
0.9669 High Similarity NPC245758
0.9669 High Similarity NPC222814
0.9669 High Similarity NPC162869
0.9669 High Similarity NPC156057
0.9667 High Similarity NPC230149
0.9667 High Similarity NPC57674
0.9667 High Similarity NPC113906
0.9667 High Similarity NPC168247
0.9667 High Similarity NPC117992
0.9667 High Similarity NPC152951
0.9664 High Similarity NPC120537
0.9664 High Similarity NPC199100
0.9664 High Similarity NPC180234
0.9662 High Similarity NPC61620
0.961 High Similarity NPC189473
0.961 High Similarity NPC220313
0.961 High Similarity NPC23298
0.9608 High Similarity NPC61010
0.9608 High Similarity NPC258331
0.9608 High Similarity NPC278052
0.9608 High Similarity NPC259456
0.9608 High Similarity NPC40491
0.9605 High Similarity NPC185258
0.9605 High Similarity NPC172770
0.9603 High Similarity NPC291878
0.9603 High Similarity NPC195796
0.9603 High Similarity NPC274730
0.9603 High Similarity NPC472916
0.9603 High Similarity NPC278778
0.9603 High Similarity NPC255106
0.9603 High Similarity NPC142339
0.9603 High Similarity NPC235165
0.9603 High Similarity NPC35038
0.96 High Similarity NPC292214
0.96 High Similarity NPC271779
0.96 High Similarity NPC160951
0.96 High Similarity NPC231018
0.96 High Similarity NPC274327
0.96 High Similarity NPC183878
0.96 High Similarity NPC145379
0.96 High Similarity NPC88645
0.96 High Similarity NPC47781
0.96 High Similarity NPC255350
0.96 High Similarity NPC176775
0.96 High Similarity NPC69394
0.96 High Similarity NPC167091
0.96 High Similarity NPC22519
0.96 High Similarity NPC206238
0.9597 High Similarity NPC117579
0.9597 High Similarity NPC251110
0.9548 High Similarity NPC275780
0.9548 High Similarity NPC472450
0.9548 High Similarity NPC239752
0.9545 High Similarity NPC25152
0.9542 High Similarity NPC235018
0.9542 High Similarity NPC45146
0.9542 High Similarity NPC246478
0.9539 High Similarity NPC136674
0.9539 High Similarity NPC27337
0.9539 High Similarity NPC217677
0.9539 High Similarity NPC291508
0.9539 High Similarity NPC241904
0.9539 High Similarity NPC161960
0.9539 High Similarity NPC304008
0.9539 High Similarity NPC472598
0.9539 High Similarity NPC476981
0.9539 High Similarity NPC469584
0.9539 High Similarity NPC236796
0.9539 High Similarity NPC187745
0.9539 High Similarity NPC79053
0.9539 High Similarity NPC474681
0.9539 High Similarity NPC210084
0.9539 High Similarity NPC165977
0.9539 High Similarity NPC300727
0.9539 High Similarity NPC99597
0.9539 High Similarity NPC474055
0.9539 High Similarity NPC218313
0.9536 High Similarity NPC227325
0.9536 High Similarity NPC92659
0.9536 High Similarity NPC472909
0.9536 High Similarity NPC20830
0.9536 High Similarity NPC183597
0.9536 High Similarity NPC477503
0.9536 High Similarity NPC128863
0.9536 High Similarity NPC2928
0.9536 High Similarity NPC472280
0.9536 High Similarity NPC201136
0.9536 High Similarity NPC256612
0.9536 High Similarity NPC146165
0.9536 High Similarity NPC196439
0.9536 High Similarity NPC167815
0.9536 High Similarity NPC470327
0.9536 High Similarity NPC256925
0.9536 High Similarity NPC2476
0.9536 High Similarity NPC45849
0.9536 High Similarity NPC200761
0.9536 High Similarity NPC138360
0.9536 High Similarity NPC280339
0.9536 High Similarity NPC4455
0.9536 High Similarity NPC213622
0.9536 High Similarity NPC163780
0.9536 High Similarity NPC50715
0.9536 High Similarity NPC37392
0.9533 High Similarity NPC100887
0.9533 High Similarity NPC222830
0.9533 High Similarity NPC188203
0.9533 High Similarity NPC239128
0.9533 High Similarity NPC198826
0.9533 High Similarity NPC293183
0.9533 High Similarity NPC83508
0.9533 High Similarity NPC57030
0.9533 High Similarity NPC212678
0.9533 High Similarity NPC301323
0.9533 High Similarity NPC241498
0.9533 High Similarity NPC25270
0.9533 High Similarity NPC187498
0.9533 High Similarity NPC275722
0.9533 High Similarity NPC156222
0.9533 High Similarity NPC39007
0.9533 High Similarity NPC162313
0.9533 High Similarity NPC249570
0.9533 High Similarity NPC256283
0.9533 High Similarity NPC161277
0.9533 High Similarity NPC131624
0.9533 High Similarity NPC71334
0.9533 High Similarity NPC101996
0.9533 High Similarity NPC120163
0.9533 High Similarity NPC275836
0.9533 High Similarity NPC471982
0.953 High Similarity NPC248102
0.953 High Similarity NPC62042
0.953 High Similarity NPC3825
0.953 High Similarity NPC88804
0.9527 High Similarity NPC276930
0.9487 High Similarity NPC39091
0.9487 High Similarity NPC472449
0.9487 High Similarity NPC37870
0.9484 High Similarity NPC152659
0.9484 High Similarity NPC236521
0.9484 High Similarity NPC7483
0.9484 High Similarity NPC41301
0.9484 High Similarity NPC303460
0.9484 High Similarity NPC248638
0.9484 High Similarity NPC306321
0.9484 High Similarity NPC236132
0.9481 High Similarity NPC32694
0.9481 High Similarity NPC472275
0.9481 High Similarity NPC474187
0.9477 High Similarity NPC204879
0.9477 High Similarity NPC476242
0.9477 High Similarity NPC235448
0.9477 High Similarity NPC152904
0.9474 High Similarity NPC276444
0.9474 High Similarity NPC471985
0.9474 High Similarity NPC470328
0.9474 High Similarity NPC133970
0.9474 High Similarity NPC470600
0.9474 High Similarity NPC6633
0.9474 High Similarity NPC472626
0.9474 High Similarity NPC5322
0.9474 High Similarity NPC472455
0.9474 High Similarity NPC49824
0.9474 High Similarity NPC115853
0.9474 High Similarity NPC209614
0.947 High Similarity NPC192083
0.947 High Similarity NPC213896

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191146 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
0.96 High Similarity NPD2801 Approved
0.947 High Similarity NPD2393 Clinical (unspecified phase)
0.9404 High Similarity NPD1934 Approved
0.9128 High Similarity NPD1511 Approved
0.9007 High Similarity NPD1512 Approved
0.8974 High Similarity NPD3882 Suspended
0.8938 High Similarity NPD6166 Phase 2
0.8938 High Similarity NPD6167 Clinical (unspecified phase)
0.8938 High Similarity NPD6168 Clinical (unspecified phase)
0.8924 High Similarity NPD5494 Approved
0.8816 High Similarity NPD4378 Clinical (unspecified phase)
0.872 High Similarity NPD7074 Phase 3
0.8712 High Similarity NPD3818 Discontinued
0.8675 High Similarity NPD4338 Clinical (unspecified phase)
0.8671 High Similarity NPD3817 Phase 2
0.8659 High Similarity NPD7054 Approved
0.8654 High Similarity NPD4380 Phase 2
0.8616 High Similarity NPD4868 Clinical (unspecified phase)
0.8606 High Similarity NPD7472 Approved
0.858 High Similarity NPD6232 Discontinued
0.8562 High Similarity NPD7075 Discontinued
0.8537 High Similarity NPD7473 Discontinued
0.8491 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8477 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8477 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8443 Intermediate Similarity NPD6797 Phase 2
0.8434 Intermediate Similarity NPD5844 Phase 1
0.8421 Intermediate Similarity NPD1549 Phase 2
0.8393 Intermediate Similarity NPD7251 Discontinued
0.8375 Intermediate Similarity NPD1465 Phase 2
0.8375 Intermediate Similarity NPD7819 Suspended
0.8343 Intermediate Similarity NPD7808 Phase 3
0.8333 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8323 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8322 Intermediate Similarity NPD943 Approved
0.8293 Intermediate Similarity NPD1247 Approved
0.825 Intermediate Similarity NPD7411 Suspended
0.8224 Intermediate Similarity NPD1510 Phase 2
0.8214 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD1240 Approved
0.8199 Intermediate Similarity NPD6801 Discontinued
0.8182 Intermediate Similarity NPD6959 Discontinued
0.8176 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.817 Intermediate Similarity NPD2796 Approved
0.817 Intermediate Similarity NPD2935 Discontinued
0.8153 Intermediate Similarity NPD6799 Approved
0.8129 Intermediate Similarity NPD2800 Approved
0.8118 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8108 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD5402 Approved
0.8092 Intermediate Similarity NPD1607 Approved
0.807 Intermediate Similarity NPD6559 Discontinued
0.7976 Intermediate Similarity NPD3926 Phase 2
0.7963 Intermediate Similarity NPD6599 Discontinued
0.7961 Intermediate Similarity NPD1613 Approved
0.7961 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD919 Approved
0.7929 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7908 Intermediate Similarity NPD447 Suspended
0.7892 Intermediate Similarity NPD3749 Approved
0.7875 Intermediate Similarity NPD2532 Approved
0.7875 Intermediate Similarity NPD2534 Approved
0.7875 Intermediate Similarity NPD2533 Approved
0.7853 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD3750 Approved
0.7834 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD7768 Phase 2
0.7792 Intermediate Similarity NPD230 Phase 1
0.7791 Intermediate Similarity NPD3226 Approved
0.7785 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD2346 Discontinued
0.7763 Intermediate Similarity NPD3027 Phase 3
0.776 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD2799 Discontinued
0.7756 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD2313 Discontinued
0.7707 Intermediate Similarity NPD6100 Approved
0.7707 Intermediate Similarity NPD6099 Approved
0.7673 Intermediate Similarity NPD1243 Approved
0.7669 Intermediate Similarity NPD5403 Approved
0.7669 Intermediate Similarity NPD920 Approved
0.7667 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD2344 Approved
0.7633 Intermediate Similarity NPD6234 Discontinued
0.7628 Intermediate Similarity NPD6651 Approved
0.7622 Intermediate Similarity NPD1653 Approved
0.76 Intermediate Similarity NPD5953 Discontinued
0.7597 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1551 Phase 2
0.7593 Intermediate Similarity NPD7390 Discontinued
0.7593 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD7286 Phase 2
0.7584 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD1933 Approved
0.7546 Intermediate Similarity NPD5401 Approved
0.7546 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD7199 Phase 2
0.7532 Intermediate Similarity NPD3748 Approved
0.7529 Intermediate Similarity NPD3751 Discontinued
0.7516 Intermediate Similarity NPD4628 Phase 3
0.7516 Intermediate Similarity NPD9494 Approved
0.7516 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3787 Discontinued
0.7484 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD2309 Approved
0.7469 Intermediate Similarity NPD6190 Approved
0.7457 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD37 Approved
0.7429 Intermediate Similarity NPD7228 Approved
0.7423 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD4625 Phase 3
0.7412 Intermediate Similarity NPD4965 Approved
0.7412 Intermediate Similarity NPD4967 Phase 2
0.7412 Intermediate Similarity NPD4966 Approved
0.7407 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD5711 Approved
0.7399 Intermediate Similarity NPD5710 Approved
0.7386 Intermediate Similarity NPD1203 Approved
0.738 Intermediate Similarity NPD6776 Approved
0.738 Intermediate Similarity NPD6779 Approved
0.738 Intermediate Similarity NPD6780 Approved
0.738 Intermediate Similarity NPD6781 Approved
0.738 Intermediate Similarity NPD6778 Approved
0.738 Intermediate Similarity NPD6782 Approved
0.738 Intermediate Similarity NPD6777 Approved
0.7374 Intermediate Similarity NPD8313 Approved
0.7374 Intermediate Similarity NPD8312 Approved
0.7355 Intermediate Similarity NPD4908 Phase 1
0.7333 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD9269 Phase 2
0.7297 Intermediate Similarity NPD4363 Phase 3
0.7297 Intermediate Similarity NPD4360 Phase 2
0.7278 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7685 Pre-registration
0.7263 Intermediate Similarity NPD7435 Discontinued
0.7261 Intermediate Similarity NPD3268 Approved
0.7257 Intermediate Similarity NPD5242 Approved
0.7253 Intermediate Similarity NPD8150 Discontinued
0.7253 Intermediate Similarity NPD8434 Phase 2
0.7237 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD1610 Phase 2
0.7235 Intermediate Similarity NPD6844 Discontinued
0.7226 Intermediate Similarity NPD2798 Approved
0.7219 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7229 Phase 3
0.719 Intermediate Similarity NPD9717 Approved
0.719 Intermediate Similarity NPD1608 Approved
0.7179 Intermediate Similarity NPD2861 Phase 2
0.7179 Intermediate Similarity NPD7783 Phase 2
0.7179 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD2424 Discontinued
0.7173 Intermediate Similarity NPD7697 Approved
0.7173 Intermediate Similarity NPD7696 Phase 3
0.7173 Intermediate Similarity NPD7698 Approved
0.7165 Intermediate Similarity NPD8151 Discontinued
0.7161 Intermediate Similarity NPD1470 Approved
0.7161 Intermediate Similarity NPD2797 Approved
0.7151 Intermediate Similarity NPD5353 Approved
0.715 Intermediate Similarity NPD7584 Approved
0.7143 Intermediate Similarity NPD4749 Approved
0.7135 Intermediate Similarity NPD7871 Phase 2
0.7135 Intermediate Similarity NPD7870 Phase 2
0.7134 Intermediate Similarity NPD6832 Phase 2
0.7126 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD1201 Approved
0.7124 Intermediate Similarity NPD422 Phase 1
0.712 Intermediate Similarity NPD6823 Phase 2
0.7119 Intermediate Similarity NPD2403 Approved
0.7113 Intermediate Similarity NPD7701 Phase 2
0.7112 Intermediate Similarity NPD6534 Approved
0.7112 Intermediate Similarity NPD6535 Approved
0.7107 Intermediate Similarity NPD6233 Phase 2
0.71 Intermediate Similarity NPD2899 Discontinued
0.7099 Intermediate Similarity NPD4308 Phase 3
0.7099 Intermediate Similarity NPD7033 Discontinued
0.7086 Intermediate Similarity NPD1548 Phase 1
0.7076 Intermediate Similarity NPD6386 Approved
0.7076 Intermediate Similarity NPD6385 Approved
0.7074 Intermediate Similarity NPD4361 Phase 2
0.7074 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD3018 Phase 2
0.7066 Intermediate Similarity NPD4357 Discontinued
0.7063 Intermediate Similarity NPD4060 Phase 1
0.7059 Intermediate Similarity NPD7458 Discontinued
0.7059 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD5404 Approved
0.7055 Intermediate Similarity NPD5406 Approved
0.7055 Intermediate Similarity NPD5408 Approved
0.7055 Intermediate Similarity NPD5405 Approved
0.7044 Intermediate Similarity NPD6798 Discontinued
0.7044 Intermediate Similarity NPD411 Approved
0.7041 Intermediate Similarity NPD7874 Approved
0.7041 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD9268 Approved

Structure

External Identifiers

PubChem CID   5281633
ChEMBL   CHEMBL487992
ZINC  

Physicochemical Properties

Molecular Weight:  396.16
ALogP:  1.4957
MLogP:  3.33
XLogP:  2.591
# Rotatable Bonds:  12
Polar Surface Area:  107.22
# H-Bond Aceptor:  1
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  29

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs