Natural Product: NPC88255

Natural Product ID:  NPC88255
Common Name:   Cryptochinone A
IUPAC Name:   (3aR,4S,7S,9bR)-4-hydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione
Synonyms:  
Molecular Formula:   C17H16O5
Standard InCHIKey:  LCYOEQRSFIXYFW-FIHUPRISSA-N
Standard InCHI:  InChI=1S/C17H16O5/c18-11-7-13(9-4-2-1-3-5-9)21-14-8-12(19)17-10(16(11)14)6-15(20)22-17/h1-5,10,12-13,17,19H,6-8H2/t10-,12+,13+,17-/m1/s1
Canonical SMILES:  O=C1O[C@@H]2[C@H](C1)C1=C(C[C@@H]2O)O[C@@H](CC1=O)c1ccccc1
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
NPO15311 Cryptocarya chinensis Species Lauraceae Eukaryota Leaves Lai-I, Pingtung County, Taiwan 2005-MAY PMID[20704331]
NPO12296 Sphaerechinus granularis Species Toxopneustidae Eukaryota UNPD*
NPO16090 Panicum crus-galli Species Poaceae Eukaryota UNPD*
NPO15311 Cryptocarya chinensis Species Lauraceae Eukaryota UNPD*
NPO13929 Hypocrella bambusae Species Clavicipitaceae Eukaryota UNPD*
NPO6241 Girgensohnia oppositiflora Species Chenopodiaceae Eukaryota UNPD*
NPO6229 Chenopodiastrum murale Species Chenopodiaceae Eukaryota UNPD*
NPO26228 Phymatopteris hastata Species Polypodiaceae Eukaryota UNPD*
NPO7878 Lysastrosoma anthosticta NA NA NA UNPD*
NPO10936 Andira retusa Species Fabaceae Eukaryota UNPD*
NPO5040 Polygonatum polyanthemum Species Asparagaceae Eukaryota UNPD*
NPO11833 Dyssodia anthemidifolia Species Asteraceae Eukaryota UNPD*
NPO16174 Scleropyrum wallichianum Species Cervantesiaceae Eukaryota UNPD*
NPO12064 Lychnophora pinaster Species Asteraceae Eukaryota UNPD*
NPO14223 Harpullia cupanioides Species Sapindaceae Eukaryota UNPD*
NPO14344 Trifolium diffusum Species Fabaceae Eukaryota UNPD*
NPO12818 Lespedeza maximowiczi Species Fabaceae Eukaryota UNPD*
NPO15098 Cyttaria johowii Species Cyttariaceae Eukaryota UNPD*
NPO2770 Pyropolyporus fomentarius NA NA NA UNPD*
NPO7036 Davidsonia pruriens Species Cunoniaceae Eukaryota UNPD*
NPO14639 Balanophora polyandra Species Balanophoraceae Eukaryota UNPD*
NPO3521 Geranium collinum Species Geraniaceae Eukaryota UNPD*
NPO12301 Chenopodium quinoa Species Chenopodiaceae Eukaryota UNPD*
NPO11277 Baeckea frutescens Species Myrtaceae Eukaryota UNPD*
NPO14996 Lobelia syphilitica Species Campanulaceae Eukaryota UNPD*
NPO15911 Streptomyces graminofaciens Species Streptomycetaceae Bacteria UNPD*
NPO2075 Zanthoxylum ocumarense Species Rutaceae Eukaryota UNPD*
NPO6615 Aplidium solidum Species Polyclinidae Eukaryota UNPD*
NPO20068 Fusarium striatum Species Nectriaceae Eukaryota UNPD*
NPO14485 Eriocephalus kingesii Species Asteraceae Eukaryota UNPD*
NPO1946 Veronica stricta Species Plantaginaceae Eukaryota UNPD*
NPO8632 Aralia hispida Species Araliaceae Eukaryota UNPD*
NPO13755 Gonotheca helianthoides NA NA NA UNPD*
NPO14885 Lilium rubrum Species Liliaceae Eukaryota UNPD*
NPO15730 Citrus medica Species Rutaceae Eukaryota UNPD*
NPO11607 Marrubium parviflorum Species Lamiaceae Eukaryota UNPD*
NPO14366 Youngia japonica Species Asteraceae Eukaryota UNPD*
NPO13631 Microglossa pyrifolia Species Asteraceae Eukaryota UNPD*
NPO1202 Psathyrotes ramosissima Species Asteraceae Eukaryota UNPD*
NPO13040 Veretillum cynomorium Species Veretillidae Eukaryota UNPD*
NPO1927 Isodon eriocalyx Species Lamiaceae Eukaryota UNPD*
NPO14086 Parthenium confertum Species Asteraceae Eukaryota UNPD*
NPO13241 Coprosma foetidissima Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50000 nM 20704331
NPT397 Cell Line NCI-H460 Homo sapiens IC50 > 50000 nM 20704331
NPT395 Cell Line SF-268 Homo sapiens IC50 > 50000 nM 20704331
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 2.1 25127166
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 1.5 25127166
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Activity = 0.68 RLU 25127166
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Inhibition = 60 % 25127166

  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 NPC88255 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 NPC136994
0.9453 High Similarity NPC60825
0.9453 High Similarity NPC291419
0.8571 High Similarity NPC190298
0.8485 Intermediate Similarity NPC476033
0.8346 Intermediate Similarity NPC79608
0.8195 Intermediate Similarity NPC138798
0.8163 Intermediate Similarity NPC471103
0.8138 Intermediate Similarity NPC477737
0.8134 Intermediate Similarity NPC246166
0.8095 Intermediate Similarity NPC91730
0.8062 Intermediate Similarity NPC210531
0.8062 Intermediate Similarity NPC471616
0.8047 Intermediate Similarity NPC172525
0.8041 Intermediate Similarity NPC101043
0.8041 Intermediate Similarity NPC197037
0.8041 Intermediate Similarity NPC306799
0.8041 Intermediate Similarity NPC51602
0.7987 Intermediate Similarity NPC472548
0.7972 Intermediate Similarity NPC275592
0.7972 Intermediate Similarity NPC100913
0.7959 Intermediate Similarity NPC217918
0.7947 Intermediate Similarity NPC106895
0.7945 Intermediate Similarity NPC127857
0.7943 Intermediate Similarity NPC477896
0.7933 Intermediate Similarity NPC134685
0.7933 Intermediate Similarity NPC133430
0.7933 Intermediate Similarity NPC219419
0.7933 Intermediate Similarity NPC469477
0.7933 Intermediate Similarity NPC11588
0.7933 Intermediate Similarity NPC248265
0.7933 Intermediate Similarity NPC229545
0.7917 Intermediate Similarity NPC472576
0.7917 Intermediate Similarity NPC291599
0.7917 Intermediate Similarity NPC77493
0.7917 Intermediate Similarity NPC27377
0.7917 Intermediate Similarity NPC97947
0.7917 Intermediate Similarity NPC118080
0.7917 Intermediate Similarity NPC41481
0.7917 Intermediate Similarity NPC87448
0.7907 Intermediate Similarity NPC87069
0.7905 Intermediate Similarity NPC250046
0.7905 Intermediate Similarity NPC60509
0.7905 Intermediate Similarity NPC81698
0.7895 Intermediate Similarity NPC475827
0.7895 Intermediate Similarity NPC474223
0.7895 Intermediate Similarity NPC181924
0.7881 Intermediate Similarity NPC155329
0.7881 Intermediate Similarity NPC114357
0.7881 Intermediate Similarity NPC5115
0.7881 Intermediate Similarity NPC473670
0.7881 Intermediate Similarity NPC282239
0.7881 Intermediate Similarity NPC259144
0.7881 Intermediate Similarity NPC472549
0.7881 Intermediate Similarity NPC21410
0.7867 Intermediate Similarity NPC477905
0.7862 Intermediate Similarity NPC182869
0.7857 Intermediate Similarity NPC80599
0.7852 Intermediate Similarity NPC161239
0.7852 Intermediate Similarity NPC7095
0.7852 Intermediate Similarity NPC165260
0.7852 Intermediate Similarity NPC198455
0.7847 Intermediate Similarity NPC90614
0.7847 Intermediate Similarity NPC97667
0.7847 Intermediate Similarity NPC171207
0.7847 Intermediate Similarity NPC472547
0.7843 Intermediate Similarity NPC49297
0.7832 Intermediate Similarity NPC39549
0.7823 Intermediate Similarity NPC471100
0.7823 Intermediate Similarity NPC301946
0.7823 Intermediate Similarity NPC277053
0.7823 Intermediate Similarity NPC471107
0.7817 Intermediate Similarity NPC477893
0.7815 Intermediate Similarity NPC146310
0.7815 Intermediate Similarity NPC231668
0.7808 Intermediate Similarity NPC95449
0.7793 Intermediate Similarity NPC213567
0.7793 Intermediate Similarity NPC16912
0.7786 Intermediate Similarity NPC17567
0.7785 Intermediate Similarity NPC102465
0.7778 Intermediate Similarity NPC472393
0.777 Intermediate Similarity NPC469513
0.7763 Intermediate Similarity NPC228204
0.7763 Intermediate Similarity NPC26033
0.7763 Intermediate Similarity NPC251139
0.7762 Intermediate Similarity NPC472551
0.7762 Intermediate Similarity NPC472545
0.7756 Intermediate Similarity NPC18986
0.7755 Intermediate Similarity NPC475759
0.7755 Intermediate Similarity NPC471912
0.7755 Intermediate Similarity NPC241951
0.7755 Intermediate Similarity NPC470152
0.7755 Intermediate Similarity NPC80895
0.7755 Intermediate Similarity NPC475122
0.774 Intermediate Similarity NPC34012
0.7733 Intermediate Similarity NPC112216
0.773 Intermediate Similarity NPC209851
0.7727 Intermediate Similarity NPC208173
0.7727 Intermediate Similarity NPC469399
0.7727 Intermediate Similarity NPC69043
0.7727 Intermediate Similarity NPC478230
0.7727 Intermediate Similarity NPC471102
0.7727 Intermediate Similarity NPC170189
0.7724 Intermediate Similarity NPC477904
0.7724 Intermediate Similarity NPC183270
0.7722 Intermediate Similarity NPC121995
0.7721 Intermediate Similarity NPC474159
0.7721 Intermediate Similarity NPC474254
0.7718 Intermediate Similarity NPC212808
0.7718 Intermediate Similarity NPC132652
0.7717 Intermediate Similarity NPC20485
0.7717 Intermediate Similarity NPC277788
0.7714 Intermediate Similarity NPC214246
0.7714 Intermediate Similarity NPC473443
0.7712 Intermediate Similarity NPC76041
0.7712 Intermediate Similarity NPC217091
0.7712 Intermediate Similarity NPC184284
0.7712 Intermediate Similarity NPC154675
0.7708 Intermediate Similarity NPC71638
0.7708 Intermediate Similarity NPC64230
0.7703 Intermediate Similarity NPC29704
0.7703 Intermediate Similarity NPC96903
0.7703 Intermediate Similarity NPC469349
0.7703 Intermediate Similarity NPC472568
0.7703 Intermediate Similarity NPC177940
0.7703 Intermediate Similarity NPC476973
0.7703 Intermediate Similarity NPC472572
0.7703 Intermediate Similarity NPC471104
0.7703 Intermediate Similarity NPC158663
0.7703 Intermediate Similarity NPC183824
0.7703 Intermediate Similarity NPC70403
0.7703 Intermediate Similarity NPC470159
0.7703 Intermediate Similarity NPC184817
0.7703 Intermediate Similarity NPC200471
0.7703 Intermediate Similarity NPC472575
0.7703 Intermediate Similarity NPC473088
0.7703 Intermediate Similarity NPC472571
0.7703 Intermediate Similarity NPC171525
0.7703 Intermediate Similarity NPC174982
0.7703 Intermediate Similarity NPC470157
0.7697 Intermediate Similarity NPC472005
0.7697 Intermediate Similarity NPC473414
0.7697 Intermediate Similarity NPC265395
0.7697 Intermediate Similarity NPC304876
0.7697 Intermediate Similarity NPC472030
0.7697 Intermediate Similarity NPC158333
0.7697 Intermediate Similarity NPC257213
0.7697 Intermediate Similarity NPC242262
0.7697 Intermediate Similarity NPC1173
0.7697 Intermediate Similarity NPC256142
0.7697 Intermediate Similarity NPC249471
0.7697 Intermediate Similarity NPC472022
0.7697 Intermediate Similarity NPC237549
0.7692 Intermediate Similarity NPC43304
0.7692 Intermediate Similarity NPC477190
0.7692 Intermediate Similarity NPC68517
0.7692 Intermediate Similarity NPC275477
0.7692 Intermediate Similarity NPC477188
0.7692 Intermediate Similarity NPC265002
0.7687 Intermediate Similarity NPC104956
0.7687 Intermediate Similarity NPC163087
0.7687 Intermediate Similarity NPC477894
0.7682 Intermediate Similarity NPC470153
0.7667 Intermediate Similarity NPC473215
0.7662 Intermediate Similarity NPC477735
0.7662 Intermediate Similarity NPC469417
0.7662 Intermediate Similarity NPC478231
0.766 Intermediate Similarity NPC319995
0.766 Intermediate Similarity NPC289415
0.7656 Intermediate Similarity NPC40178
0.7651 Intermediate Similarity NPC103910
0.7651 Intermediate Similarity NPC474935
0.7651 Intermediate Similarity NPC475528
0.7651 Intermediate Similarity NPC210330
0.7647 Intermediate Similarity NPC240768
0.7647 Intermediate Similarity NPC114410
0.7647 Intermediate Similarity NPC112523
0.7647 Intermediate Similarity NPC200773
0.7643 Intermediate Similarity NPC66193
0.7643 Intermediate Similarity NPC322420
0.7643 Intermediate Similarity NPC225103
0.7639 Intermediate Similarity NPC182217
0.7639 Intermediate Similarity NPC309056
0.7639 Intermediate Similarity NPC70680
0.7639 Intermediate Similarity NPC233350
0.7635 Intermediate Similarity NPC57628
0.7635 Intermediate Similarity NPC95265
0.7635 Intermediate Similarity NPC285550
0.7635 Intermediate Similarity NPC125106
0.7635 Intermediate Similarity NPC11685
0.7635 Intermediate Similarity NPC472569
0.7635 Intermediate Similarity NPC163719
0.7635 Intermediate Similarity NPC472573
0.7635 Intermediate Similarity NPC70716
0.7635 Intermediate Similarity NPC95810
0.7635 Intermediate Similarity NPC476974
0.7635 Intermediate Similarity NPC188865
0.7635 Intermediate Similarity NPC25768
0.7635 Intermediate Similarity NPC472570
0.7635 Intermediate Similarity NPC38696

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC88255 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
0.7676 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD6190 Approved
0.7381 Intermediate Similarity NPD8434 Phase 2
0.7328 Intermediate Similarity NPD2067 Discontinued
0.7254 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD4380 Phase 2
0.7237 Intermediate Similarity NPD7236 Approved
0.7185 Intermediate Similarity NPD2629 Approved
0.717 Intermediate Similarity NPD5402 Approved
0.716 Intermediate Similarity NPD8407 Phase 2
0.7152 Intermediate Similarity NPD3818 Discontinued
0.7143 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD7033 Discontinued
0.7107 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD4628 Phase 3
0.7083 Intermediate Similarity NPD8368 Discontinued
0.7081 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD3817 Phase 2
0.7059 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD3268 Approved
0.7048 Intermediate Similarity NPD7799 Discontinued
0.7044 Intermediate Similarity NPD6801 Discontinued
0.7032 Intermediate Similarity NPD2533 Approved
0.7032 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD2532 Approved
0.7032 Intermediate Similarity NPD2534 Approved
0.7023 Intermediate Similarity NPD5048 Discontinued
0.7014 Intermediate Similarity NPD5647 Approved
0.7007 Intermediate Similarity NPD6233 Phase 2
0.7006 Intermediate Similarity NPD7239 Suspended
0.7 Intermediate Similarity NPD5126 Approved
0.7 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5125 Phase 3
0.7 Intermediate Similarity NPD2801 Approved
0.6986 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6985 Remote Similarity NPD6010 Discontinued
0.6975 Remote Similarity NPD7075 Discontinued
0.6974 Remote Similarity NPD970 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6799 Approved
0.6963 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6963 Remote Similarity NPD969 Suspended
0.6947 Remote Similarity NPD5909 Discontinued
0.6946 Remote Similarity NPD3751 Discontinued
0.6943 Remote Similarity NPD5403 Approved
0.6941 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6939 Remote Similarity NPD3764 Approved
0.6939 Remote Similarity NPD2313 Discontinued
0.6937 Remote Similarity NPD37 Approved
0.6937 Remote Similarity NPD1934 Approved
0.6928 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5401 Approved
0.6919 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6914 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6914 Remote Similarity NPD4966 Approved
0.6914 Remote Similarity NPD4965 Approved
0.6914 Remote Similarity NPD4967 Phase 2
0.6913 Remote Similarity NPD6355 Discontinued
0.6913 Remote Similarity NPD230 Phase 1
0.6909 Remote Similarity NPD3787 Discontinued
0.6897 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6085 Phase 2
0.6894 Remote Similarity NPD7819 Suspended
0.6894 Remote Similarity NPD2393 Clinical (unspecified phase)
0.689 Remote Similarity NPD5494 Approved
0.6887 Remote Similarity NPD1510 Phase 2
0.6884 Remote Similarity NPD4198 Discontinued
0.6875 Remote Similarity NPD7411 Suspended
0.6866 Remote Similarity NPD2182 Approved
0.6848 Remote Similarity NPD7199 Phase 2
0.6842 Remote Similarity NPD2796 Approved
0.6829 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6234 Discontinued
0.6828 Remote Similarity NPD3267 Approved
0.6828 Remote Similarity NPD3266 Approved
0.6824 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6798 Discontinued
0.6815 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6599 Discontinued
0.681 Remote Similarity NPD3882 Suspended
0.68 Remote Similarity NPD8360 Approved
0.68 Remote Similarity NPD8361 Approved
0.68 Remote Similarity NPD8435 Approved
0.6797 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6797 Remote Similarity NPD6004 Phase 3
0.6797 Remote Similarity NPD6005 Phase 3
0.6797 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6797 Remote Similarity NPD6002 Phase 3
0.6797 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6797 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7473 Discontinued
0.6782 Remote Similarity NPD8150 Discontinued
0.6774 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6774 Remote Similarity NPD3750 Approved
0.6774 Remote Similarity NPD8166 Discontinued
0.6755 Remote Similarity NPD6653 Approved
0.6753 Remote Similarity NPD1549 Phase 2
0.6752 Remote Similarity NPD1511 Approved
0.675 Remote Similarity NPD3226 Approved
0.6748 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6647 Phase 2
0.6738 Remote Similarity NPD9545 Approved
0.6736 Remote Similarity NPD1608 Approved
0.6732 Remote Similarity NPD2935 Discontinued
0.673 Remote Similarity NPD920 Approved
0.673 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6166 Phase 2
0.6726 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6723 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6716 Remote Similarity NPD6685 Approved
0.6714 Remote Similarity NPD694 Clinical (unspecified phase)
0.6712 Remote Similarity NPD2797 Approved
0.6711 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6709 Remote Similarity NPD642 Clinical (unspecified phase)
0.6707 Remote Similarity NPD7058 Phase 2
0.6707 Remote Similarity NPD6232 Discontinued
0.6707 Remote Similarity NPD7057 Phase 3
0.6706 Remote Similarity NPD5844 Phase 1
0.6706 Remote Similarity NPD7054 Approved
0.6706 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6692 Remote Similarity NPD9495 Approved
0.6688 Remote Similarity NPD2346 Discontinued
0.6686 Remote Similarity NPD6559 Discontinued
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD7074 Phase 3
0.6667 Remote Similarity NPD7472 Approved
0.6667 Remote Similarity NPD1512 Approved
0.6667 Remote Similarity NPD3749 Approved
0.6667 Remote Similarity NPD2799 Discontinued
0.6667 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7228 Approved
0.6647 Remote Similarity NPD8127 Discontinued
0.6647 Remote Similarity NPD1247 Approved
0.6645 Remote Similarity NPD2424 Discontinued
0.6641 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6628 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6628 Remote Similarity NPD6797 Phase 2
0.662 Remote Similarity NPD7741 Discontinued
0.6617 Remote Similarity NPD5765 Approved
0.6609 Remote Similarity NPD8313 Approved
0.6609 Remote Similarity NPD8312 Approved
0.6608 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7229 Phase 3
0.6603 Remote Similarity NPD2800 Approved
0.6603 Remote Similarity NPD1652 Phase 2
0.659 Remote Similarity NPD7685 Pre-registration
0.659 Remote Similarity NPD6764 Approved
0.659 Remote Similarity NPD7251 Discontinued
0.659 Remote Similarity NPD6765 Approved
0.6582 Remote Similarity NPD643 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7266 Discontinued
0.6581 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6581 Remote Similarity NPD5762 Approved
0.6581 Remote Similarity NPD5763 Approved
0.6579 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6579 Remote Similarity NPD5124 Phase 1
0.6575 Remote Similarity NPD8485 Approved
0.6567 Remote Similarity NPD164 Approved
0.6562 Remote Similarity NPD6273 Approved
0.6561 Remote Similarity NPD2575 Approved
0.6561 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6561 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6561 Remote Similarity NPD4110 Phase 3
0.6558 Remote Similarity NPD7305 Phase 1
0.6556 Remote Similarity NPD4062 Phase 3
0.6554 Remote Similarity NPD2798 Approved
0.6552 Remote Similarity NPD7808 Phase 3
0.6538 Remote Similarity NPD5958 Discontinued
0.6531 Remote Similarity NPD3225 Approved
0.6529 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6528 Remote Similarity NPD17 Approved
0.6527 Remote Similarity NPD919 Approved
0.6522 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6517 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6516 Remote Similarity NPD2438 Suspended
0.6515 Remote Similarity NPD1238 Approved
0.6515 Remote Similarity NPD7798 Approved
0.6513 Remote Similarity NPD1240 Approved
0.6513 Remote Similarity NPD943 Approved
0.6509 Remote Similarity NPD5710 Approved
0.6509 Remote Similarity NPD5711 Approved
0.6503 Remote Similarity NPD1894 Discontinued
0.65 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6497 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6497 Remote Similarity NPD1243 Approved
0.6496 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6494 Remote Similarity NPD7240 Approved
0.6494 Remote Similarity NPD7097 Phase 1
0.6493 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6485 Remote Similarity NPD5760 Phase 2
0.6485 Remote Similarity NPD8455 Phase 2
0.6485 Remote Similarity NPD5761 Phase 2
0.6481 Remote Similarity NPD1653 Approved
0.6478 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6475 Remote Similarity NPD6912 Phase 3
0.6474 Remote Similarity NPD1471 Phase 3
0.6471 Remote Similarity NPD447 Suspended
0.6467 Remote Similarity NPD8486 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   46939683
ChEMBL   CHEMBL1223740
ZINC  

Physicochemical Properties

Molecular Weight:  300.10
ALogP:  -1.276
MLogP:  2.78
XLogP:  1.776
# Rotatable Bonds:  2
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

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